USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 TYR OH : rot 180:sc= -1.4! USER MOD Set 1.2: B 54 GLN : amide:sc= -0.545 K(o=-1.9,f=-4.6!) USER MOD Set 2.1: B 31 SER OG : rot 59:sc= 1.06 USER MOD Set 2.2: B 34 THR OG1 : rot 39:sc= 1.32 USER MOD Set 3.1: B 16 SER OG : rot -150:sc= 0.656 USER MOD Set 3.2: B 19 THR OG1 : rot 71:sc= 1.55 USER MOD Set 4.1: A 25 ASN : amide:sc=-0.00778 X(o=-0.014,f=-0.017) USER MOD Set 4.2: A 54 GLN : amide:sc=-0.00612 X(o=-0.014,f=0) USER MOD Set 5.1: A 31 SER OG : rot 52:sc= 0.38 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.429 USER MOD Set 6.1: A 18 GLN : amide:sc= 2.1 K(o=3,f=1.7) USER MOD Set 6.2: A 21 SER OG : rot 180:sc= 0.744 USER MOD Set 6.3: A 26 GLN : amide:sc= 0.172! K(o=3!,f=1.7) USER MOD Set 7.1: A 16 SER OG : rot -65:sc= 1.41 USER MOD Set 7.2: A 19 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 5 THR OG1 : rot -160:sc= 0.147 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 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.865 X(o=-0.86,f=-0.38) 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 147:sc= -3.2 (180deg=-4.85!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.01! K(o=-2!,f=-0.13) USER MOD Single : B 5 THR OG1 : rot -87:sc= 0.383 USER MOD Single : B 7 TYR OH : rot -78:sc= 0.478 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.27) USER MOD Single : B 21 SER OG : rot 180:sc= 0.0778 USER MOD Single : B 25 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.16) USER MOD Single : B 29 HIS : no HD1:sc=-0.00934 X(o=-0.0093,f=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -137:sc= 1.09 (180deg=0.138) USER MOD Single : B 42 MET CE :methyl -139:sc= 0 (180deg=-1.95!) USER MOD Single : B 46 ASN : amide:sc= 0.0644 X(o=0.064,f=0) USER MOD Single : B 50 ASN : amide:sc= -3.61! C(o=-3.6!,f=-6.2!) USER MOD Single : B 55 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.541 -10.840 12.319 1.00 0.87 N ATOM 43 CA PRO A 3 5.923 -10.512 10.952 1.00 0.67 C ATOM 44 C PRO A 3 6.865 -9.316 10.902 1.00 0.57 C ATOM 45 O PRO A 3 6.429 -8.171 10.790 1.00 0.62 O ATOM 46 CB PRO A 3 4.594 -10.160 10.276 1.00 0.89 C ATOM 47 CG PRO A 3 3.548 -10.177 11.356 1.00 1.30 C ATOM 48 CD PRO A 3 4.273 -10.214 12.675 1.00 1.15 C ATOM 0 HA PRO A 3 6.454 -11.333 10.470 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.647 -9.179 9.803 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.355 -10.879 9.493 1.00 0.89 H new ATOM 0 HG2 PRO A 3 2.913 -9.294 11.291 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.898 -11.046 11.249 1.00 1.30 H new ATOM 0 HD2 PRO A 3 4.415 -9.216 13.088 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.729 -10.794 13.421 1.00 1.15 H new ATOM 56 N VAL A 4 8.155 -9.588 10.993 1.00 0.48 N ATOM 57 CA VAL A 4 9.157 -8.537 10.965 1.00 0.41 C ATOM 58 C VAL A 4 9.275 -7.972 9.558 1.00 0.36 C ATOM 59 O VAL A 4 9.347 -8.720 8.583 1.00 0.37 O ATOM 60 CB VAL A 4 10.527 -9.060 11.445 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.570 -7.951 11.472 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.389 -9.705 12.813 1.00 0.54 C ATOM 0 H VAL A 4 8.534 -10.530 11.087 1.00 0.48 H new ATOM 0 HA VAL A 4 8.842 -7.746 11.646 1.00 0.41 H new ATOM 0 HB VAL A 4 10.871 -9.812 10.734 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.522 -8.355 11.815 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.690 -7.540 10.470 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.245 -7.163 12.151 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.361 -10.071 13.143 1.00 0.54 H new ATOM 0 HG22 VAL A 4 10.017 -8.969 13.526 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.689 -10.538 12.753 1.00 0.54 H new ATOM 72 N THR A 5 9.287 -6.658 9.451 1.00 0.33 N ATOM 73 CA THR A 5 9.368 -6.009 8.160 1.00 0.31 C ATOM 74 C THR A 5 10.739 -5.380 7.976 1.00 0.26 C ATOM 75 O THR A 5 11.539 -5.337 8.913 1.00 0.26 O ATOM 76 CB THR A 5 8.263 -4.936 8.024 1.00 0.36 C ATOM 77 OG1 THR A 5 8.741 -3.675 8.503 1.00 0.37 O ATOM 78 CG2 THR A 5 7.031 -5.338 8.828 1.00 0.41 C ATOM 0 H THR A 5 9.242 -6.019 10.245 1.00 0.33 H new ATOM 0 HA THR A 5 9.218 -6.759 7.383 1.00 0.31 H new ATOM 0 HB THR A 5 7.996 -4.851 6.971 1.00 0.36 H new ATOM 0 HG1 THR A 5 7.980 -3.095 8.713 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.262 -4.573 8.722 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.649 -6.290 8.458 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.300 -5.439 9.879 1.00 0.41 H new ATOM 86 N LEU A 6 11.020 -4.906 6.771 1.00 0.24 N ATOM 87 CA LEU A 6 12.303 -4.278 6.485 1.00 0.20 C ATOM 88 C LEU A 6 12.447 -2.967 7.256 1.00 0.21 C ATOM 89 O LEU A 6 13.549 -2.435 7.393 1.00 0.20 O ATOM 90 CB LEU A 6 12.483 -4.062 4.976 1.00 0.21 C ATOM 91 CG LEU A 6 11.840 -2.804 4.371 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.101 -2.753 2.875 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.343 -2.757 4.633 1.00 0.29 C ATOM 0 H LEU A 6 10.380 -4.944 5.978 1.00 0.24 H new ATOM 0 HA LEU A 6 13.094 -4.949 6.819 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.552 -4.033 4.763 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.079 -4.932 4.458 1.00 0.21 H new ATOM 0 HG LEU A 6 12.293 -1.937 4.852 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.641 -1.858 2.456 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.176 -2.728 2.694 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.674 -3.636 2.401 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.924 -1.853 4.190 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.868 -3.632 4.189 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.162 -2.752 5.708 1.00 0.29 H new ATOM 105 N TYR A 7 11.326 -2.454 7.766 1.00 0.25 N ATOM 106 CA TYR A 7 11.337 -1.226 8.548 1.00 0.28 C ATOM 107 C TYR A 7 11.889 -1.520 9.931 1.00 0.28 C ATOM 108 O TYR A 7 12.638 -0.727 10.501 1.00 0.30 O ATOM 109 CB TYR A 7 9.928 -0.643 8.691 1.00 0.34 C ATOM 110 CG TYR A 7 9.320 -0.115 7.410 1.00 0.36 C ATOM 111 CD1 TYR A 7 9.792 1.049 6.818 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.253 -0.772 6.807 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.221 1.538 5.660 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.678 -0.286 5.650 1.00 0.44 C ATOM 115 CZ TYR A 7 8.166 0.868 5.080 1.00 0.44 C ATOM 116 OH TYR A 7 7.594 1.360 3.928 1.00 0.49 O ATOM 0 H TYR A 7 10.403 -2.872 7.649 1.00 0.25 H new ATOM 0 HA TYR A 7 11.962 -0.498 8.030 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.272 -1.414 9.096 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.958 0.166 9.421 1.00 0.34 H new ATOM 0 HD1 TYR A 7 10.617 1.579 7.270 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.868 -1.678 7.251 1.00 0.41 H new ATOM 0 HE1 TYR A 7 9.600 2.443 5.210 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.850 -0.808 5.194 1.00 0.44 H new ATOM 0 HH TYR A 7 6.863 0.770 3.648 1.00 0.49 H new ATOM 126 N ASP A 8 11.534 -2.689 10.451 1.00 0.28 N ATOM 127 CA ASP A 8 11.979 -3.107 11.776 1.00 0.29 C ATOM 128 C ASP A 8 13.482 -3.326 11.776 1.00 0.24 C ATOM 129 O ASP A 8 14.175 -2.996 12.737 1.00 0.25 O ATOM 130 CB ASP A 8 11.261 -4.391 12.197 1.00 0.35 C ATOM 131 CG ASP A 8 9.754 -4.231 12.223 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.271 -3.134 12.584 1.00 1.51 O ATOM 133 OD2 ASP A 8 9.047 -5.203 11.879 1.00 1.75 O ATOM 0 H ASP A 8 10.938 -3.366 9.975 1.00 0.28 H new ATOM 0 HA ASP A 8 11.736 -2.321 12.491 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.526 -5.194 11.509 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.609 -4.690 13.186 1.00 0.35 H new ATOM 138 N VAL A 9 13.975 -3.857 10.671 1.00 0.21 N ATOM 139 CA VAL A 9 15.395 -4.124 10.514 1.00 0.19 C ATOM 140 C VAL A 9 16.152 -2.819 10.355 1.00 0.18 C ATOM 141 O VAL A 9 17.214 -2.621 10.946 1.00 0.20 O ATOM 142 CB VAL A 9 15.655 -5.021 9.293 1.00 0.19 C ATOM 143 CG1 VAL A 9 17.112 -5.436 9.224 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.757 -6.239 9.338 1.00 0.22 C ATOM 0 H VAL A 9 13.408 -4.114 9.863 1.00 0.21 H new ATOM 0 HA VAL A 9 15.744 -4.644 11.407 1.00 0.19 H new ATOM 0 HB VAL A 9 15.426 -4.450 8.394 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.269 -6.070 8.351 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.740 -4.548 9.145 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.376 -5.988 10.126 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.951 -6.866 8.468 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.959 -6.806 10.247 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.714 -5.922 9.332 1.00 0.22 H new ATOM 154 N ALA A 10 15.578 -1.929 9.561 1.00 0.19 N ATOM 155 CA ALA A 10 16.166 -0.625 9.307 1.00 0.22 C ATOM 156 C ALA A 10 16.312 0.172 10.589 1.00 0.26 C ATOM 157 O ALA A 10 17.361 0.758 10.848 1.00 0.30 O ATOM 158 CB ALA A 10 15.319 0.146 8.312 1.00 0.26 C ATOM 0 H ALA A 10 14.695 -2.090 9.077 1.00 0.19 H new ATOM 0 HA ALA A 10 17.160 -0.781 8.889 1.00 0.22 H new ATOM 0 HB1 ALA A 10 15.770 1.122 8.130 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.263 -0.409 7.375 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.315 0.280 8.715 1.00 0.26 H new ATOM 164 N GLU A 11 15.267 0.174 11.397 1.00 0.29 N ATOM 165 CA GLU A 11 15.283 0.909 12.652 1.00 0.35 C ATOM 166 C GLU A 11 16.273 0.313 13.647 1.00 0.37 C ATOM 167 O GLU A 11 16.855 1.032 14.456 1.00 0.46 O ATOM 168 CB GLU A 11 13.889 0.942 13.264 1.00 0.37 C ATOM 169 CG GLU A 11 12.919 1.818 12.497 1.00 0.94 C ATOM 170 CD GLU A 11 11.739 2.239 13.343 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.863 3.238 14.084 1.00 2.14 O ATOM 172 OE2 GLU A 11 10.684 1.577 13.275 1.00 2.21 O ATOM 0 H GLU A 11 14.397 -0.324 11.208 1.00 0.29 H new ATOM 0 HA GLU A 11 15.605 1.926 12.429 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.495 -0.073 13.308 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.959 1.301 14.291 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.440 2.705 12.136 1.00 0.94 H new ATOM 0 HG3 GLU A 11 12.561 1.279 11.620 1.00 0.94 H new ATOM 179 N TYR A 12 16.474 -0.999 13.568 1.00 0.32 N ATOM 180 CA TYR A 12 17.383 -1.690 14.468 1.00 0.38 C ATOM 181 C TYR A 12 18.834 -1.441 14.078 1.00 0.38 C ATOM 182 O TYR A 12 19.699 -1.246 14.937 1.00 0.45 O ATOM 183 CB TYR A 12 17.097 -3.190 14.442 1.00 0.39 C ATOM 184 CG TYR A 12 17.720 -3.941 15.597 1.00 0.47 C ATOM 185 CD1 TYR A 12 17.067 -4.026 16.816 1.00 1.38 C ATOM 186 CD2 TYR A 12 18.957 -4.563 15.469 1.00 1.10 C ATOM 187 CE1 TYR A 12 17.622 -4.709 17.881 1.00 1.49 C ATOM 188 CE2 TYR A 12 19.520 -5.250 16.530 1.00 1.07 C ATOM 189 CZ TYR A 12 18.846 -5.322 17.735 1.00 0.69 C ATOM 190 OH TYR A 12 19.398 -6.010 18.797 1.00 0.82 O ATOM 0 H TYR A 12 16.016 -1.604 12.886 1.00 0.32 H new ATOM 0 HA TYR A 12 17.225 -1.303 15.474 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.018 -3.347 14.456 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.468 -3.607 13.505 1.00 0.39 H new ATOM 0 HD1 TYR A 12 16.105 -3.549 16.936 1.00 1.38 H new ATOM 0 HD2 TYR A 12 19.486 -4.509 14.529 1.00 1.10 H new ATOM 0 HE1 TYR A 12 17.098 -4.762 18.824 1.00 1.49 H new ATOM 0 HE2 TYR A 12 20.482 -5.728 16.417 1.00 1.07 H new ATOM 0 HH TYR A 12 20.263 -6.385 18.530 1.00 0.82 H new ATOM 200 N ALA A 13 19.092 -1.433 12.779 1.00 0.33 N ATOM 201 CA ALA A 13 20.437 -1.229 12.274 1.00 0.36 C ATOM 202 C ALA A 13 20.782 0.251 12.207 1.00 0.39 C ATOM 203 O ALA A 13 21.954 0.624 12.152 1.00 0.46 O ATOM 204 CB ALA A 13 20.578 -1.864 10.904 1.00 0.33 C ATOM 0 H ALA A 13 18.385 -1.566 12.056 1.00 0.33 H new ATOM 0 HA ALA A 13 21.135 -1.705 12.963 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.590 -1.706 10.532 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.381 -2.934 10.977 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.864 -1.409 10.217 1.00 0.33 H new ATOM 210 N GLY A 14 19.756 1.090 12.204 1.00 0.38 N ATOM 211 CA GLY A 14 19.973 2.520 12.131 1.00 0.43 C ATOM 212 C GLY A 14 20.128 2.970 10.700 1.00 0.43 C ATOM 213 O GLY A 14 20.779 3.976 10.411 1.00 0.52 O ATOM 0 H GLY A 14 18.777 0.806 12.251 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.135 3.043 12.592 1.00 0.43 H new ATOM 0 HA3 GLY A 14 20.865 2.786 12.698 1.00 0.43 H new ATOM 217 N VAL A 15 19.507 2.217 9.808 1.00 0.35 N ATOM 218 CA VAL A 15 19.563 2.489 8.388 1.00 0.35 C ATOM 219 C VAL A 15 18.163 2.759 7.854 1.00 0.34 C ATOM 220 O VAL A 15 17.223 2.974 8.619 1.00 0.36 O ATOM 221 CB VAL A 15 20.169 1.294 7.615 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.621 1.079 8.003 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.354 0.025 7.861 1.00 0.28 C ATOM 0 H VAL A 15 18.949 1.399 10.052 1.00 0.35 H new ATOM 0 HA VAL A 15 20.196 3.364 8.242 1.00 0.35 H new ATOM 0 HB VAL A 15 20.133 1.526 6.551 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.025 0.233 7.446 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.196 1.975 7.770 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.686 0.874 9.072 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.796 -0.804 7.309 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.355 -0.207 8.926 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.329 0.180 7.524 1.00 0.28 H new ATOM 233 N SER A 16 18.031 2.748 6.542 1.00 0.35 N ATOM 234 CA SER A 16 16.744 2.959 5.914 1.00 0.35 C ATOM 235 C SER A 16 16.189 1.623 5.453 1.00 0.32 C ATOM 236 O SER A 16 16.944 0.663 5.281 1.00 0.32 O ATOM 237 CB SER A 16 16.879 3.910 4.731 1.00 0.40 C ATOM 238 OG SER A 16 17.540 3.287 3.642 1.00 1.26 O ATOM 0 H SER A 16 18.801 2.595 5.891 1.00 0.35 H new ATOM 0 HA SER A 16 16.061 3.407 6.635 1.00 0.35 H new ATOM 0 HB2 SER A 16 15.891 4.245 4.416 1.00 0.40 H new ATOM 0 HB3 SER A 16 17.434 4.797 5.036 1.00 0.40 H new ATOM 0 HG SER A 16 18.465 3.085 3.893 1.00 1.26 H new ATOM 244 N TYR A 17 14.877 1.547 5.257 1.00 0.32 N ATOM 245 CA TYR A 17 14.258 0.305 4.816 1.00 0.30 C ATOM 246 C TYR A 17 14.791 -0.089 3.449 1.00 0.31 C ATOM 247 O TYR A 17 14.909 -1.273 3.129 1.00 0.30 O ATOM 248 CB TYR A 17 12.730 0.424 4.805 1.00 0.33 C ATOM 249 CG TYR A 17 12.168 1.496 3.891 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.136 2.827 4.284 1.00 1.14 C ATOM 251 CD2 TYR A 17 11.636 1.167 2.648 1.00 1.27 C ATOM 252 CE1 TYR A 17 11.593 3.801 3.468 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.097 2.135 1.825 1.00 1.32 C ATOM 254 CZ TYR A 17 11.076 3.450 2.238 1.00 0.54 C ATOM 255 OH TYR A 17 10.529 4.412 1.423 1.00 0.65 O ATOM 0 H TYR A 17 14.229 2.322 5.395 1.00 0.32 H new ATOM 0 HA TYR A 17 14.517 -0.482 5.524 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.310 -0.538 4.511 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.391 0.622 5.822 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.543 3.106 5.245 1.00 1.14 H new ATOM 0 HD2 TYR A 17 11.645 0.137 2.322 1.00 1.27 H new ATOM 0 HE1 TYR A 17 11.573 4.831 3.791 1.00 1.16 H new ATOM 0 HE2 TYR A 17 10.693 1.863 0.861 1.00 1.32 H new ATOM 0 HH TYR A 17 10.212 3.997 0.594 1.00 0.65 H new ATOM 265 N GLN A 18 15.145 0.916 2.655 1.00 0.35 N ATOM 266 CA GLN A 18 15.697 0.674 1.337 1.00 0.37 C ATOM 267 C GLN A 18 17.079 0.046 1.472 1.00 0.33 C ATOM 268 O GLN A 18 17.469 -0.784 0.661 1.00 0.34 O ATOM 269 CB GLN A 18 15.766 1.972 0.534 1.00 0.46 C ATOM 270 CG GLN A 18 16.659 1.891 -0.695 1.00 0.77 C ATOM 271 CD GLN A 18 16.079 1.040 -1.815 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.434 1.550 -2.723 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.307 -0.265 -1.751 1.00 1.09 N ATOM 0 H GLN A 18 15.058 1.901 2.905 1.00 0.35 H new ATOM 0 HA GLN A 18 15.046 -0.015 0.799 1.00 0.37 H new ATOM 0 HB2 GLN A 18 14.759 2.248 0.221 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.129 2.770 1.182 1.00 0.46 H new ATOM 0 HG2 GLN A 18 16.838 2.898 -1.071 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.627 1.483 -0.404 1.00 0.77 H new ATOM 0 HE21 GLN A 18 16.849 -0.651 -0.978 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.940 -0.883 -2.475 1.00 1.09 H new ATOM 282 N THR A 19 17.807 0.438 2.512 1.00 0.33 N ATOM 283 CA THR A 19 19.134 -0.107 2.768 1.00 0.34 C ATOM 284 C THR A 19 19.024 -1.585 3.113 1.00 0.29 C ATOM 285 O THR A 19 19.821 -2.405 2.659 1.00 0.31 O ATOM 286 CB THR A 19 19.842 0.647 3.909 1.00 0.39 C ATOM 287 OG1 THR A 19 19.873 2.046 3.611 1.00 0.49 O ATOM 288 CG2 THR A 19 21.263 0.140 4.104 1.00 0.45 C ATOM 0 H THR A 19 17.499 1.133 3.192 1.00 0.33 H new ATOM 0 HA THR A 19 19.731 0.016 1.864 1.00 0.34 H new ATOM 0 HB THR A 19 19.286 0.473 4.830 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.322 2.525 4.338 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.738 0.691 4.916 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.240 -0.922 4.351 1.00 0.45 H new ATOM 0 HG23 THR A 19 21.831 0.287 3.185 1.00 0.45 H new ATOM 296 N VAL A 20 18.021 -1.913 3.914 1.00 0.25 N ATOM 297 CA VAL A 20 17.768 -3.294 4.293 1.00 0.21 C ATOM 298 C VAL A 20 17.431 -4.115 3.053 1.00 0.20 C ATOM 299 O VAL A 20 17.986 -5.190 2.836 1.00 0.24 O ATOM 300 CB VAL A 20 16.615 -3.388 5.308 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.246 -4.840 5.586 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.996 -2.675 6.593 1.00 0.24 C ATOM 0 H VAL A 20 17.368 -1.239 4.315 1.00 0.25 H new ATOM 0 HA VAL A 20 18.669 -3.690 4.762 1.00 0.21 H new ATOM 0 HB VAL A 20 15.739 -2.900 4.881 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.429 -4.876 6.306 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.934 -5.320 4.659 1.00 0.23 H new ATOM 0 HG13 VAL A 20 17.111 -5.364 5.992 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.175 -2.746 7.306 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.886 -3.140 7.017 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.201 -1.626 6.380 1.00 0.24 H new ATOM 312 N SER A 21 16.537 -3.582 2.229 1.00 0.22 N ATOM 313 CA SER A 21 16.136 -4.246 0.994 1.00 0.25 C ATOM 314 C SER A 21 17.316 -4.300 0.023 1.00 0.27 C ATOM 315 O SER A 21 17.394 -5.177 -0.841 1.00 0.32 O ATOM 316 CB SER A 21 14.959 -3.508 0.358 1.00 0.32 C ATOM 317 OG SER A 21 14.212 -4.375 -0.473 1.00 0.87 O ATOM 0 H SER A 21 16.074 -2.688 2.394 1.00 0.22 H new ATOM 0 HA SER A 21 15.824 -5.265 1.225 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.315 -3.100 1.138 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.326 -2.664 -0.226 1.00 0.32 H new ATOM 0 HG SER A 21 13.463 -3.883 -0.869 1.00 0.87 H new ATOM 323 N ARG A 22 18.243 -3.365 0.209 1.00 0.30 N ATOM 324 CA ARG A 22 19.449 -3.252 -0.608 1.00 0.40 C ATOM 325 C ARG A 22 20.448 -4.352 -0.238 1.00 0.39 C ATOM 326 O ARG A 22 21.514 -4.474 -0.836 1.00 0.58 O ATOM 327 CB ARG A 22 20.083 -1.874 -0.388 1.00 0.51 C ATOM 328 CG ARG A 22 20.895 -1.368 -1.561 1.00 0.82 C ATOM 329 CD ARG A 22 20.026 -0.727 -2.626 1.00 0.75 C ATOM 330 NE ARG A 22 19.681 0.652 -2.289 1.00 0.73 N ATOM 331 CZ ARG A 22 19.198 1.527 -3.167 1.00 1.18 C ATOM 332 NH1 ARG A 22 18.970 1.157 -4.420 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.942 2.774 -2.795 1.00 1.28 N ATOM 0 H ARG A 22 18.178 -2.656 0.939 1.00 0.30 H new ATOM 0 HA ARG A 22 19.181 -3.367 -1.658 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.294 -1.154 -0.170 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.725 -1.919 0.491 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.628 -0.643 -1.207 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.452 -2.196 -1.999 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.549 -0.747 -3.582 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.113 -1.310 -2.749 1.00 0.75 H new ATOM 0 HE ARG A 22 19.818 0.961 -1.327 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.165 0.200 -4.713 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.600 1.830 -5.091 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.115 3.065 -1.833 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.572 3.442 -3.471 1.00 1.28 H new ATOM 347 N VAL A 23 20.105 -5.131 0.776 1.00 0.29 N ATOM 348 CA VAL A 23 20.946 -6.227 1.224 1.00 0.33 C ATOM 349 C VAL A 23 20.212 -7.546 1.038 1.00 0.34 C ATOM 350 O VAL A 23 20.803 -8.564 0.670 1.00 0.43 O ATOM 351 CB VAL A 23 21.325 -6.068 2.712 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.161 -7.237 3.189 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.054 -4.756 2.940 1.00 0.33 C ATOM 0 H VAL A 23 19.241 -5.022 1.308 1.00 0.29 H new ATOM 0 HA VAL A 23 21.859 -6.216 0.628 1.00 0.33 H new ATOM 0 HB VAL A 23 20.404 -6.055 3.296 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.414 -7.099 4.240 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.595 -8.161 3.070 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.077 -7.294 2.600 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.313 -4.662 3.995 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.964 -4.736 2.340 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.410 -3.926 2.649 1.00 0.33 H new ATOM 363 N VAL A 24 18.913 -7.510 1.292 1.00 0.29 N ATOM 364 CA VAL A 24 18.074 -8.694 1.176 1.00 0.32 C ATOM 365 C VAL A 24 17.788 -9.074 -0.277 1.00 0.34 C ATOM 366 O VAL A 24 17.835 -10.254 -0.628 1.00 0.41 O ATOM 367 CB VAL A 24 16.729 -8.500 1.906 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.908 -9.775 1.867 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.952 -8.062 3.343 1.00 0.35 C ATOM 0 H VAL A 24 18.414 -6.669 1.581 1.00 0.29 H new ATOM 0 HA VAL A 24 18.639 -9.502 1.641 1.00 0.32 H new ATOM 0 HB VAL A 24 16.176 -7.716 1.389 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.964 -9.616 2.388 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.709 -10.048 0.831 1.00 0.39 H new ATOM 0 HG13 VAL A 24 16.460 -10.578 2.355 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.989 -7.932 3.837 1.00 0.35 H new ATOM 0 HG22 VAL A 24 17.530 -8.821 3.869 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.497 -7.118 3.355 1.00 0.35 H new ATOM 379 N ASN A 25 17.499 -8.093 -1.126 1.00 0.33 N ATOM 380 CA ASN A 25 17.167 -8.397 -2.519 1.00 0.42 C ATOM 381 C ASN A 25 17.989 -7.598 -3.527 1.00 0.76 C ATOM 382 O ASN A 25 18.476 -8.154 -4.505 1.00 0.94 O ATOM 383 CB ASN A 25 15.681 -8.142 -2.775 1.00 0.83 C ATOM 384 CG ASN A 25 14.777 -9.085 -1.999 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.584 -10.235 -2.384 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.203 -8.597 -0.909 1.00 1.15 N ATOM 0 H ASN A 25 17.487 -7.102 -0.885 1.00 0.33 H new ATOM 0 HA ASN A 25 17.409 -9.450 -2.664 1.00 0.42 H new ATOM 0 HB2 ASN A 25 15.442 -7.113 -2.505 1.00 0.83 H new ATOM 0 HB3 ASN A 25 15.478 -8.247 -3.841 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.576 -9.182 -0.357 1.00 1.15 H new ATOM 0 HD22 ASN A 25 14.389 -7.636 -0.622 1.00 1.15 H new ATOM 393 N GLN A 26 18.128 -6.300 -3.296 1.00 1.08 N ATOM 394 CA GLN A 26 18.867 -5.439 -4.212 1.00 1.58 C ATOM 395 C GLN A 26 20.337 -5.357 -3.822 1.00 1.10 C ATOM 396 O GLN A 26 20.808 -4.308 -3.396 1.00 1.64 O ATOM 397 CB GLN A 26 18.258 -4.032 -4.236 1.00 2.64 C ATOM 398 CG GLN A 26 16.833 -3.984 -4.766 1.00 3.42 C ATOM 399 CD GLN A 26 15.830 -3.619 -3.689 1.00 4.28 C ATOM 400 OE1 GLN A 26 15.573 -2.442 -3.429 1.00 4.88 O ATOM 401 NE2 GLN A 26 15.249 -4.624 -3.059 1.00 4.73 N ATOM 0 H GLN A 26 17.740 -5.820 -2.484 1.00 1.08 H new ATOM 0 HA GLN A 26 18.797 -5.876 -5.208 1.00 1.58 H new ATOM 0 HB2 GLN A 26 18.273 -3.623 -3.226 1.00 2.64 H new ATOM 0 HB3 GLN A 26 18.885 -3.386 -4.850 1.00 2.64 H new ATOM 0 HG2 GLN A 26 16.773 -3.257 -5.576 1.00 3.42 H new ATOM 0 HG3 GLN A 26 16.572 -4.954 -5.188 1.00 3.42 H new ATOM 0 HE21 GLN A 26 15.488 -5.585 -3.303 1.00 4.73 H new ATOM 0 HE22 GLN A 26 14.561 -4.439 -2.329 1.00 4.73 H new ATOM 410 N ALA A 27 21.048 -6.467 -3.982 1.00 0.83 N ATOM 411 CA ALA A 27 22.470 -6.545 -3.650 1.00 1.50 C ATOM 412 C ALA A 27 23.322 -5.648 -4.552 1.00 1.34 C ATOM 413 O ALA A 27 23.923 -6.100 -5.531 1.00 2.01 O ATOM 414 CB ALA A 27 22.944 -7.985 -3.730 1.00 2.27 C ATOM 0 H ALA A 27 20.659 -7.337 -4.344 1.00 0.83 H new ATOM 0 HA ALA A 27 22.592 -6.182 -2.630 1.00 1.50 H new ATOM 0 HB1 ALA A 27 24.004 -8.033 -3.481 1.00 2.27 H new ATOM 0 HB2 ALA A 27 22.378 -8.594 -3.025 1.00 2.27 H new ATOM 0 HB3 ALA A 27 22.791 -8.363 -4.741 1.00 2.27 H new ATOM 420 N SER A 28 23.348 -4.380 -4.196 1.00 1.04 N ATOM 421 CA SER A 28 24.096 -3.347 -4.891 1.00 0.84 C ATOM 422 C SER A 28 23.930 -2.071 -4.085 1.00 0.71 C ATOM 423 O SER A 28 23.090 -2.044 -3.198 1.00 0.73 O ATOM 424 CB SER A 28 23.566 -3.160 -6.315 1.00 0.91 C ATOM 425 OG SER A 28 24.629 -3.100 -7.249 1.00 1.52 O ATOM 0 H SER A 28 22.833 -4.027 -3.389 1.00 1.04 H new ATOM 0 HA SER A 28 25.148 -3.619 -4.977 1.00 0.84 H new ATOM 0 HB2 SER A 28 22.900 -3.984 -6.570 1.00 0.91 H new ATOM 0 HB3 SER A 28 22.977 -2.245 -6.370 1.00 0.91 H new ATOM 0 HG SER A 28 24.265 -2.982 -8.151 1.00 1.52 H new ATOM 431 N HIS A 29 24.705 -1.020 -4.360 1.00 0.61 N ATOM 432 CA HIS A 29 24.593 0.222 -3.607 1.00 0.53 C ATOM 433 C HIS A 29 24.844 -0.011 -2.113 1.00 0.59 C ATOM 434 O HIS A 29 24.346 0.733 -1.268 1.00 0.76 O ATOM 435 CB HIS A 29 23.222 0.877 -3.784 1.00 0.50 C ATOM 436 CG HIS A 29 22.738 1.057 -5.192 1.00 0.50 C ATOM 437 ND1 HIS A 29 21.756 1.964 -5.506 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.101 0.485 -6.370 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.536 1.953 -6.795 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.337 1.064 -7.351 1.00 0.63 N ATOM 0 H HIS A 29 25.412 -1.008 -5.095 1.00 0.61 H new ATOM 0 HA HIS A 29 25.355 0.892 -4.005 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.487 0.279 -3.245 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.248 1.856 -3.306 1.00 0.50 H new ATOM 0 HD2 HIS A 29 23.850 -0.281 -6.508 1.00 0.64 H new ATOM 0 HE1 HIS A 29 20.819 2.569 -7.317 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.381 0.844 -8.346 1.00 0.63 H new ATOM 449 N VAL A 30 25.608 -1.049 -1.792 1.00 0.66 N ATOM 450 CA VAL A 30 25.931 -1.369 -0.414 1.00 0.76 C ATOM 451 C VAL A 30 27.433 -1.451 -0.252 1.00 0.72 C ATOM 452 O VAL A 30 28.108 -2.182 -0.975 1.00 0.78 O ATOM 453 CB VAL A 30 25.306 -2.696 0.057 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.046 -2.428 0.867 1.00 1.01 C ATOM 455 CG2 VAL A 30 25.012 -3.616 -1.119 1.00 1.16 C ATOM 0 H VAL A 30 26.016 -1.686 -2.476 1.00 0.66 H new ATOM 0 HA VAL A 30 25.513 -0.572 0.201 1.00 0.76 H new ATOM 0 HB VAL A 30 26.028 -3.203 0.697 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.615 -3.375 1.193 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.296 -1.823 1.739 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.323 -1.894 0.250 1.00 1.01 H new ATOM 0 HG21 VAL A 30 24.572 -4.544 -0.754 1.00 1.16 H new ATOM 0 HG22 VAL A 30 24.315 -3.126 -1.799 1.00 1.16 H new ATOM 0 HG23 VAL A 30 25.939 -3.838 -1.648 1.00 1.16 H new ATOM 465 N SER A 31 27.948 -0.680 0.685 1.00 0.71 N ATOM 466 CA SER A 31 29.374 -0.634 0.954 1.00 0.76 C ATOM 467 C SER A 31 29.852 -1.928 1.612 1.00 0.83 C ATOM 468 O SER A 31 30.344 -2.831 0.932 1.00 1.30 O ATOM 469 CB SER A 31 29.677 0.569 1.835 1.00 0.75 C ATOM 470 OG SER A 31 28.518 0.960 2.551 1.00 0.74 O ATOM 0 H SER A 31 27.392 -0.068 1.282 1.00 0.71 H new ATOM 0 HA SER A 31 29.912 -0.534 0.011 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.478 0.325 2.532 1.00 0.75 H new ATOM 0 HB3 SER A 31 30.030 1.398 1.221 1.00 0.75 H new ATOM 0 HG SER A 31 28.146 0.184 3.020 1.00 0.74 H new ATOM 476 N ALA A 32 29.707 -2.013 2.930 1.00 0.86 N ATOM 477 CA ALA A 32 30.119 -3.200 3.681 1.00 0.86 C ATOM 478 C ALA A 32 29.584 -3.165 5.104 1.00 0.75 C ATOM 479 O ALA A 32 28.913 -4.102 5.543 1.00 0.69 O ATOM 480 CB ALA A 32 31.635 -3.339 3.695 1.00 1.06 C ATOM 0 H ALA A 32 29.306 -1.272 3.505 1.00 0.86 H new ATOM 0 HA ALA A 32 29.695 -4.068 3.176 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.914 -4.229 4.260 1.00 1.06 H new ATOM 0 HB2 ALA A 32 32.002 -3.428 2.672 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.077 -2.459 4.163 1.00 1.06 H new ATOM 486 N LYS A 33 29.880 -2.080 5.820 1.00 0.80 N ATOM 487 CA LYS A 33 29.426 -1.921 7.202 1.00 0.78 C ATOM 488 C LYS A 33 27.908 -1.973 7.275 1.00 0.67 C ATOM 489 O LYS A 33 27.338 -2.591 8.174 1.00 0.69 O ATOM 490 CB LYS A 33 29.933 -0.605 7.782 1.00 0.94 C ATOM 491 CG LYS A 33 31.404 -0.351 7.506 1.00 1.53 C ATOM 492 CD LYS A 33 32.296 -1.399 8.154 1.00 1.99 C ATOM 493 CE LYS A 33 32.563 -1.080 9.612 1.00 2.99 C ATOM 494 NZ LYS A 33 33.977 -0.668 9.836 1.00 3.39 N ATOM 0 H LYS A 33 30.432 -1.299 5.466 1.00 0.80 H new ATOM 0 HA LYS A 33 29.832 -2.743 7.791 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.347 0.215 7.369 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.768 -0.604 8.859 1.00 0.94 H new ATOM 0 HG2 LYS A 33 31.575 -0.345 6.429 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.677 0.637 7.877 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.824 -2.378 8.076 1.00 1.99 H new ATOM 0 HD3 LYS A 33 33.241 -1.457 7.615 1.00 1.99 H new ATOM 0 HE2 LYS A 33 31.896 -0.282 9.938 1.00 2.99 H new ATOM 0 HE3 LYS A 33 32.337 -1.954 10.223 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 34.122 -0.458 10.844 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 34.613 -1.439 9.548 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 34.185 0.181 9.272 1.00 3.39 H new ATOM 508 N THR A 34 27.265 -1.324 6.314 1.00 0.61 N ATOM 509 CA THR A 34 25.813 -1.299 6.239 1.00 0.54 C ATOM 510 C THR A 34 25.255 -2.698 5.998 1.00 0.51 C ATOM 511 O THR A 34 24.312 -3.122 6.659 1.00 0.49 O ATOM 512 CB THR A 34 25.346 -0.375 5.108 1.00 0.53 C ATOM 513 OG1 THR A 34 26.444 -0.109 4.227 1.00 0.65 O ATOM 514 CG2 THR A 34 24.798 0.928 5.661 1.00 0.56 C ATOM 0 H THR A 34 27.732 -0.804 5.571 1.00 0.61 H new ATOM 0 HA THR A 34 25.442 -0.924 7.193 1.00 0.54 H new ATOM 0 HB THR A 34 24.546 -0.872 4.559 1.00 0.53 H new ATOM 0 HG1 THR A 34 26.147 0.480 3.503 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.474 1.565 4.838 1.00 0.56 H new ATOM 0 HG22 THR A 34 23.950 0.718 6.313 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.576 1.438 6.230 1.00 0.56 H new ATOM 522 N ARG A 35 25.866 -3.422 5.065 1.00 0.51 N ATOM 523 CA ARG A 35 25.424 -4.767 4.732 1.00 0.51 C ATOM 524 C ARG A 35 25.541 -5.687 5.941 1.00 0.52 C ATOM 525 O ARG A 35 24.724 -6.586 6.138 1.00 0.52 O ATOM 526 CB ARG A 35 26.241 -5.323 3.564 1.00 0.53 C ATOM 527 CG ARG A 35 25.569 -6.482 2.852 1.00 0.70 C ATOM 528 CD ARG A 35 26.481 -7.098 1.798 1.00 0.79 C ATOM 529 NE ARG A 35 27.483 -7.991 2.384 1.00 1.64 N ATOM 530 CZ ARG A 35 27.910 -9.117 1.806 1.00 2.19 C ATOM 531 NH1 ARG A 35 27.488 -9.452 0.592 1.00 2.09 N ATOM 532 NH2 ARG A 35 28.773 -9.900 2.438 1.00 3.31 N ATOM 0 H ARG A 35 26.669 -3.097 4.527 1.00 0.51 H new ATOM 0 HA ARG A 35 24.376 -4.718 4.435 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.424 -4.523 2.846 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.213 -5.649 3.934 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.288 -7.243 3.580 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.649 -6.136 2.381 1.00 0.70 H new ATOM 0 HD2 ARG A 35 25.879 -7.653 1.079 1.00 0.79 H new ATOM 0 HD3 ARG A 35 26.984 -6.304 1.246 1.00 0.79 H new ATOM 0 HE ARG A 35 27.879 -7.738 3.289 1.00 1.64 H new ATOM 0 HH11 ARG A 35 26.834 -8.848 0.095 1.00 2.09 H new ATOM 0 HH12 ARG A 35 27.818 -10.313 0.157 1.00 2.09 H new ATOM 0 HH21 ARG A 35 29.111 -9.643 3.365 1.00 3.31 H new ATOM 0 HH22 ARG A 35 29.099 -10.760 1.997 1.00 3.31 H new ATOM 546 N GLU A 36 26.553 -5.450 6.756 1.00 0.56 N ATOM 547 CA GLU A 36 26.778 -6.259 7.942 1.00 0.58 C ATOM 548 C GLU A 36 25.794 -5.933 9.057 1.00 0.54 C ATOM 549 O GLU A 36 25.267 -6.836 9.707 1.00 0.61 O ATOM 550 CB GLU A 36 28.206 -6.072 8.442 1.00 0.67 C ATOM 551 CG GLU A 36 29.246 -6.653 7.510 1.00 0.70 C ATOM 552 CD GLU A 36 30.612 -6.763 8.157 1.00 0.85 C ATOM 553 OE1 GLU A 36 30.680 -6.842 9.403 1.00 1.45 O ATOM 554 OE2 GLU A 36 31.624 -6.771 7.421 1.00 1.39 O ATOM 0 H GLU A 36 27.234 -4.703 6.619 1.00 0.56 H new ATOM 0 HA GLU A 36 26.620 -7.299 7.658 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.401 -5.008 8.575 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.305 -6.539 9.422 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.923 -7.641 7.182 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.319 -6.029 6.619 1.00 0.70 H new ATOM 561 N LYS A 37 25.527 -4.653 9.260 1.00 0.49 N ATOM 562 CA LYS A 37 24.621 -4.232 10.321 1.00 0.47 C ATOM 563 C LYS A 37 23.183 -4.599 9.985 1.00 0.39 C ATOM 564 O LYS A 37 22.371 -4.851 10.874 1.00 0.38 O ATOM 565 CB LYS A 37 24.750 -2.729 10.588 1.00 0.52 C ATOM 566 CG LYS A 37 24.175 -1.847 9.495 1.00 0.86 C ATOM 567 CD LYS A 37 24.320 -0.371 9.836 1.00 0.84 C ATOM 568 CE LYS A 37 25.775 0.013 10.050 1.00 0.73 C ATOM 569 NZ LYS A 37 25.913 1.412 10.535 1.00 0.98 N ATOM 0 H LYS A 37 25.921 -3.890 8.709 1.00 0.49 H new ATOM 0 HA LYS A 37 24.902 -4.762 11.231 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.250 -2.495 11.528 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.804 -2.485 10.718 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.682 -2.056 8.553 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.122 -2.086 9.349 1.00 0.86 H new ATOM 0 HD2 LYS A 37 23.898 0.232 9.032 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.748 -0.147 10.736 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.228 -0.668 10.771 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.323 -0.103 9.115 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 26.920 1.635 10.669 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.504 2.064 9.836 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.412 1.517 11.440 1.00 0.98 H new ATOM 583 N VAL A 38 22.872 -4.646 8.698 1.00 0.36 N ATOM 584 CA VAL A 38 21.532 -4.997 8.256 1.00 0.31 C ATOM 585 C VAL A 38 21.294 -6.498 8.392 1.00 0.32 C ATOM 586 O VAL A 38 20.250 -6.928 8.884 1.00 0.31 O ATOM 587 CB VAL A 38 21.286 -4.564 6.799 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.975 -5.136 6.284 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.295 -3.048 6.698 1.00 0.30 C ATOM 0 H VAL A 38 23.528 -4.446 7.943 1.00 0.36 H new ATOM 0 HA VAL A 38 20.830 -4.463 8.897 1.00 0.31 H new ATOM 0 HB VAL A 38 22.089 -4.956 6.175 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.820 -4.818 5.253 1.00 0.26 H new ATOM 0 HG12 VAL A 38 20.011 -6.225 6.327 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.153 -4.776 6.902 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.120 -2.751 5.664 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.509 -2.636 7.331 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.262 -2.667 7.026 1.00 0.30 H new ATOM 599 N GLU A 39 22.281 -7.292 7.982 1.00 0.36 N ATOM 600 CA GLU A 39 22.166 -8.744 8.060 1.00 0.39 C ATOM 601 C GLU A 39 22.140 -9.195 9.513 1.00 0.41 C ATOM 602 O GLU A 39 21.566 -10.232 9.842 1.00 0.43 O ATOM 603 CB GLU A 39 23.308 -9.428 7.309 1.00 0.44 C ATOM 604 CG GLU A 39 23.233 -9.231 5.807 1.00 0.55 C ATOM 605 CD GLU A 39 23.747 -10.424 5.035 1.00 0.82 C ATOM 606 OE1 GLU A 39 24.977 -10.528 4.838 1.00 1.59 O ATOM 607 OE2 GLU A 39 22.918 -11.256 4.606 1.00 1.44 O ATOM 0 H GLU A 39 23.163 -6.956 7.595 1.00 0.36 H new ATOM 0 HA GLU A 39 21.229 -9.035 7.585 1.00 0.39 H new ATOM 0 HB2 GLU A 39 24.259 -9.040 7.674 1.00 0.44 H new ATOM 0 HB3 GLU A 39 23.293 -10.495 7.531 1.00 0.44 H new ATOM 0 HG2 GLU A 39 22.199 -9.037 5.522 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.811 -8.349 5.531 1.00 0.55 H new ATOM 614 N ALA A 40 22.769 -8.407 10.374 1.00 0.43 N ATOM 615 CA ALA A 40 22.796 -8.705 11.793 1.00 0.46 C ATOM 616 C ALA A 40 21.473 -8.328 12.445 1.00 0.41 C ATOM 617 O ALA A 40 20.940 -9.066 13.273 1.00 0.43 O ATOM 618 CB ALA A 40 23.942 -7.977 12.468 1.00 0.52 C ATOM 0 H ALA A 40 23.267 -7.556 10.111 1.00 0.43 H new ATOM 0 HA ALA A 40 22.948 -9.778 11.914 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.946 -8.213 13.532 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.886 -8.292 12.023 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.819 -6.902 12.335 1.00 0.52 H new ATOM 624 N ALA A 41 20.934 -7.181 12.044 1.00 0.37 N ATOM 625 CA ALA A 41 19.670 -6.692 12.589 1.00 0.34 C ATOM 626 C ALA A 41 18.520 -7.617 12.223 1.00 0.31 C ATOM 627 O ALA A 41 17.655 -7.916 13.050 1.00 0.34 O ATOM 628 CB ALA A 41 19.392 -5.277 12.099 1.00 0.31 C ATOM 0 H ALA A 41 21.353 -6.571 11.342 1.00 0.37 H new ATOM 0 HA ALA A 41 19.755 -6.676 13.676 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.447 -4.927 12.514 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.196 -4.616 12.421 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.334 -5.274 11.011 1.00 0.31 H new ATOM 634 N MET A 42 18.530 -8.094 10.987 1.00 0.28 N ATOM 635 CA MET A 42 17.488 -8.991 10.502 1.00 0.29 C ATOM 636 C MET A 42 17.623 -10.378 11.124 1.00 0.35 C ATOM 637 O MET A 42 16.753 -11.228 10.960 1.00 0.39 O ATOM 638 CB MET A 42 17.529 -9.091 8.973 1.00 0.27 C ATOM 639 CG MET A 42 18.690 -9.914 8.433 1.00 0.33 C ATOM 640 SD MET A 42 18.590 -10.211 6.657 1.00 0.35 S ATOM 641 CE MET A 42 19.051 -8.604 6.024 1.00 0.33 C ATOM 0 H MET A 42 19.250 -7.875 10.299 1.00 0.28 H new ATOM 0 HA MET A 42 16.526 -8.575 10.800 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.594 -9.529 8.623 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.586 -8.086 8.556 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.625 -9.400 8.656 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.720 -10.871 8.953 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.591 -8.724 5.085 1.00 0.33 H new ATOM 0 HE2 MET A 42 18.154 -8.009 5.853 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.689 -8.097 6.748 1.00 0.33 H new ATOM 651 N ALA A 43 18.714 -10.596 11.844 1.00 0.40 N ATOM 652 CA ALA A 43 18.957 -11.878 12.492 1.00 0.47 C ATOM 653 C ALA A 43 18.529 -11.817 13.952 1.00 0.48 C ATOM 654 O ALA A 43 18.123 -12.822 14.535 1.00 0.53 O ATOM 655 CB ALA A 43 20.425 -12.272 12.375 1.00 0.52 C ATOM 0 H ALA A 43 19.446 -9.902 11.995 1.00 0.40 H new ATOM 0 HA ALA A 43 18.363 -12.641 11.988 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.584 -13.232 12.866 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.697 -12.353 11.323 1.00 0.52 H new ATOM 0 HB3 ALA A 43 21.045 -11.513 12.853 1.00 0.52 H new ATOM 661 N GLU A 44 18.617 -10.628 14.531 1.00 0.46 N ATOM 662 CA GLU A 44 18.236 -10.413 15.921 1.00 0.46 C ATOM 663 C GLU A 44 16.731 -10.445 16.067 1.00 0.45 C ATOM 664 O GLU A 44 16.181 -11.109 16.945 1.00 0.48 O ATOM 665 CB GLU A 44 18.746 -9.059 16.405 1.00 0.45 C ATOM 666 CG GLU A 44 20.245 -8.902 16.297 1.00 0.51 C ATOM 667 CD GLU A 44 20.998 -9.956 17.082 1.00 0.63 C ATOM 668 OE1 GLU A 44 21.166 -9.785 18.309 1.00 1.36 O ATOM 669 OE2 GLU A 44 21.412 -10.967 16.479 1.00 1.21 O ATOM 0 H GLU A 44 18.952 -9.790 14.055 1.00 0.46 H new ATOM 0 HA GLU A 44 18.678 -11.209 16.519 1.00 0.46 H new ATOM 0 HB2 GLU A 44 18.264 -8.271 15.826 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.449 -8.919 17.444 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.538 -8.957 15.249 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.530 -7.913 16.657 1.00 0.51 H new ATOM 676 N LEU A 45 16.075 -9.724 15.181 1.00 0.42 N ATOM 677 CA LEU A 45 14.627 -9.625 15.189 1.00 0.44 C ATOM 678 C LEU A 45 13.985 -10.781 14.435 1.00 0.48 C ATOM 679 O LEU A 45 12.769 -10.964 14.506 1.00 0.52 O ATOM 680 CB LEU A 45 14.214 -8.300 14.557 1.00 0.49 C ATOM 681 CG LEU A 45 15.077 -7.107 14.967 1.00 0.82 C ATOM 682 CD1 LEU A 45 15.117 -6.076 13.859 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.557 -6.495 16.253 1.00 1.88 C ATOM 0 H LEU A 45 16.527 -9.192 14.437 1.00 0.42 H new ATOM 0 HA LEU A 45 14.283 -9.672 16.222 1.00 0.44 H new ATOM 0 HB2 LEU A 45 14.249 -8.402 13.472 1.00 0.49 H new ATOM 0 HB3 LEU A 45 13.178 -8.092 14.824 1.00 0.49 H new ATOM 0 HG LEU A 45 16.094 -7.458 15.142 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.736 -5.234 14.168 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.538 -6.525 12.959 1.00 0.39 H new ATOM 0 HD13 LEU A 45 14.106 -5.726 13.651 1.00 0.39 H new ATOM 0 HD21 LEU A 45 15.182 -5.647 16.531 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.531 -6.157 16.106 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.583 -7.241 17.047 1.00 1.88 H new ATOM 695 N ASN A 46 14.814 -11.559 13.726 1.00 0.49 N ATOM 696 CA ASN A 46 14.342 -12.699 12.937 1.00 0.54 C ATOM 697 C ASN A 46 13.433 -12.201 11.822 1.00 0.51 C ATOM 698 O ASN A 46 12.230 -12.456 11.811 1.00 0.60 O ATOM 699 CB ASN A 46 13.615 -13.732 13.810 1.00 0.62 C ATOM 700 CG ASN A 46 14.525 -14.361 14.849 1.00 1.22 C ATOM 701 OD1 ASN A 46 14.535 -13.955 16.010 1.00 2.01 O ATOM 702 ND2 ASN A 46 15.299 -15.356 14.442 1.00 1.90 N ATOM 0 H ASN A 46 15.823 -11.415 13.685 1.00 0.49 H new ATOM 0 HA ASN A 46 15.208 -13.200 12.503 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.775 -13.252 14.311 1.00 0.62 H new ATOM 0 HB3 ASN A 46 13.202 -14.514 13.173 1.00 0.62 H new ATOM 0 HD21 ASN A 46 15.931 -15.813 15.100 1.00 1.90 H new ATOM 0 HD22 ASN A 46 15.263 -15.666 13.471 1.00 1.90 H new ATOM 709 N TYR A 47 14.034 -11.477 10.891 1.00 0.42 N ATOM 710 CA TYR A 47 13.323 -10.887 9.769 1.00 0.39 C ATOM 711 C TYR A 47 13.103 -11.886 8.637 1.00 0.49 C ATOM 712 O TYR A 47 14.044 -12.521 8.149 1.00 0.58 O ATOM 713 CB TYR A 47 14.118 -9.679 9.276 1.00 0.27 C ATOM 714 CG TYR A 47 13.697 -9.154 7.926 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.376 -8.814 7.665 1.00 1.07 C ATOM 716 CD2 TYR A 47 14.631 -8.990 6.914 1.00 1.16 C ATOM 717 CE1 TYR A 47 11.999 -8.327 6.431 1.00 1.08 C ATOM 718 CE2 TYR A 47 14.262 -8.502 5.678 1.00 1.16 C ATOM 719 CZ TYR A 47 12.947 -8.173 5.441 1.00 0.23 C ATOM 720 OH TYR A 47 12.577 -7.683 4.213 1.00 0.24 O ATOM 0 H TYR A 47 15.035 -11.281 10.893 1.00 0.42 H new ATOM 0 HA TYR A 47 12.333 -10.578 10.104 1.00 0.39 H new ATOM 0 HB2 TYR A 47 14.024 -8.877 10.008 1.00 0.27 H new ATOM 0 HB3 TYR A 47 15.173 -9.949 9.232 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.633 -8.933 8.440 1.00 1.07 H new ATOM 0 HD2 TYR A 47 15.664 -9.249 7.097 1.00 1.16 H new ATOM 0 HE1 TYR A 47 10.968 -8.068 6.241 1.00 1.08 H new ATOM 0 HE2 TYR A 47 15.001 -8.379 4.900 1.00 1.16 H new ATOM 0 HH TYR A 47 13.363 -7.635 3.630 1.00 0.24 H new ATOM 730 N ILE A 48 11.842 -12.016 8.234 1.00 0.56 N ATOM 731 CA ILE A 48 11.453 -12.904 7.151 1.00 0.66 C ATOM 732 C ILE A 48 10.965 -12.085 5.952 1.00 0.52 C ATOM 733 O ILE A 48 9.929 -11.417 6.024 1.00 0.55 O ATOM 734 CB ILE A 48 10.349 -13.900 7.597 1.00 0.91 C ATOM 735 CG1 ILE A 48 10.904 -14.890 8.631 1.00 1.16 C ATOM 736 CG2 ILE A 48 9.765 -14.648 6.402 1.00 0.98 C ATOM 737 CD1 ILE A 48 10.612 -14.503 10.061 1.00 1.01 C ATOM 0 H ILE A 48 11.063 -11.507 8.652 1.00 0.56 H new ATOM 0 HA ILE A 48 12.330 -13.484 6.864 1.00 0.66 H new ATOM 0 HB ILE A 48 9.546 -13.326 8.059 1.00 0.91 H new ATOM 0 HG12 ILE A 48 10.483 -15.877 8.438 1.00 1.16 H new ATOM 0 HG13 ILE A 48 11.983 -14.972 8.499 1.00 1.16 H new ATOM 0 HG21 ILE A 48 8.995 -15.338 6.746 1.00 0.98 H new ATOM 0 HG22 ILE A 48 9.327 -13.934 5.704 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.555 -15.207 5.901 1.00 0.98 H new ATOM 0 HD11 ILE A 48 11.035 -15.249 10.734 1.00 1.01 H new ATOM 0 HD12 ILE A 48 11.056 -13.531 10.273 1.00 1.01 H new ATOM 0 HD13 ILE A 48 9.534 -14.449 10.210 1.00 1.01 H new ATOM 749 N PRO A 49 11.730 -12.102 4.845 1.00 0.44 N ATOM 750 CA PRO A 49 11.377 -11.365 3.626 1.00 0.35 C ATOM 751 C PRO A 49 10.074 -11.868 3.011 1.00 0.39 C ATOM 752 O PRO A 49 9.890 -13.070 2.813 1.00 0.49 O ATOM 753 CB PRO A 49 12.550 -11.630 2.680 1.00 0.40 C ATOM 754 CG PRO A 49 13.658 -12.112 3.557 1.00 0.51 C ATOM 755 CD PRO A 49 12.998 -12.831 4.695 1.00 0.55 C ATOM 0 HA PRO A 49 11.215 -10.306 3.827 1.00 0.35 H new ATOM 0 HB2 PRO A 49 12.290 -12.376 1.929 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.837 -10.725 2.145 1.00 0.40 H new ATOM 0 HG2 PRO A 49 14.328 -12.777 3.011 1.00 0.51 H new ATOM 0 HG3 PRO A 49 14.261 -11.279 3.918 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.835 -13.885 4.468 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.599 -12.790 5.603 1.00 0.55 H new ATOM 763 N ASN A 50 9.187 -10.937 2.697 1.00 0.40 N ATOM 764 CA ASN A 50 7.892 -11.272 2.124 1.00 0.45 C ATOM 765 C ASN A 50 7.997 -11.514 0.624 1.00 0.49 C ATOM 766 O ASN A 50 8.452 -10.656 -0.131 1.00 0.54 O ATOM 767 CB ASN A 50 6.887 -10.160 2.412 1.00 0.45 C ATOM 768 CG ASN A 50 6.456 -10.151 3.859 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.528 -10.855 4.250 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.126 -9.344 4.663 1.00 0.46 N ATOM 0 H ASN A 50 9.341 -9.938 2.830 1.00 0.40 H new ATOM 0 HA ASN A 50 7.545 -12.195 2.588 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.329 -9.196 2.159 1.00 0.45 H new ATOM 0 HB3 ASN A 50 6.013 -10.287 1.774 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.879 -9.288 5.651 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.890 -8.777 4.295 1.00 0.46 H new ATOM 777 N ARG A 51 7.569 -12.693 0.202 1.00 0.51 N ATOM 778 CA ARG A 51 7.604 -13.072 -1.204 1.00 0.57 C ATOM 779 C ARG A 51 6.385 -12.521 -1.933 1.00 0.56 C ATOM 780 O ARG A 51 6.422 -12.288 -3.144 1.00 0.59 O ATOM 781 CB ARG A 51 7.646 -14.593 -1.338 1.00 0.63 C ATOM 782 CG ARG A 51 8.812 -15.241 -0.599 1.00 1.42 C ATOM 783 CD ARG A 51 10.108 -15.115 -1.379 1.00 2.25 C ATOM 784 NE ARG A 51 10.162 -16.046 -2.503 1.00 3.08 N ATOM 785 CZ ARG A 51 11.081 -16.007 -3.464 1.00 4.17 C ATOM 786 NH1 ARG A 51 12.050 -15.101 -3.425 1.00 4.66 N ATOM 787 NH2 ARG A 51 11.039 -16.890 -4.454 1.00 5.04 N ATOM 0 H ARG A 51 7.190 -13.411 0.819 1.00 0.51 H new ATOM 0 HA ARG A 51 8.503 -12.650 -1.654 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.712 -15.008 -0.960 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.706 -14.854 -2.394 1.00 0.63 H new ATOM 0 HG2 ARG A 51 8.928 -14.774 0.379 1.00 1.42 H new ATOM 0 HG3 ARG A 51 8.593 -16.294 -0.425 1.00 1.42 H new ATOM 0 HD2 ARG A 51 10.211 -14.095 -1.748 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.951 -15.300 -0.714 1.00 2.25 H new ATOM 0 HE ARG A 51 9.449 -16.773 -2.554 1.00 3.08 H new ATOM 0 HH11 ARG A 51 12.092 -14.432 -2.656 1.00 4.66 H new ATOM 0 HH12 ARG A 51 12.753 -15.074 -4.164 1.00 4.66 H new ATOM 0 HH21 ARG A 51 10.303 -17.596 -4.477 1.00 5.04 H new ATOM 0 HH22 ARG A 51 11.742 -16.862 -5.192 1.00 5.04 H new ATOM 801 N CYS A 52 5.309 -12.299 -1.183 1.00 0.55 N ATOM 802 CA CYS A 52 4.077 -11.778 -1.749 1.00 0.55 C ATOM 803 C CYS A 52 4.230 -10.298 -2.045 1.00 0.52 C ATOM 804 O CYS A 52 3.785 -9.809 -3.085 1.00 0.57 O ATOM 805 CB CYS A 52 2.910 -12.009 -0.790 1.00 0.56 C ATOM 806 SG CYS A 52 1.726 -13.280 -1.345 1.00 0.83 S ATOM 0 H CYS A 52 5.270 -12.474 -0.179 1.00 0.55 H new ATOM 0 HA CYS A 52 3.867 -12.305 -2.680 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.306 -12.298 0.183 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.377 -11.068 -0.651 1.00 0.56 H new ATOM 811 N ALA A 53 4.868 -9.592 -1.121 1.00 0.45 N ATOM 812 CA ALA A 53 5.116 -8.172 -1.281 1.00 0.43 C ATOM 813 C ALA A 53 6.079 -7.941 -2.431 1.00 0.43 C ATOM 814 O ALA A 53 5.964 -6.962 -3.161 1.00 0.44 O ATOM 815 CB ALA A 53 5.658 -7.593 -0.007 1.00 0.41 C ATOM 0 H ALA A 53 5.223 -9.985 -0.250 1.00 0.45 H new ATOM 0 HA ALA A 53 4.176 -7.670 -1.511 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.840 -6.527 -0.140 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.936 -7.740 0.796 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.593 -8.091 0.250 1.00 0.41 H new ATOM 821 N GLN A 54 7.022 -8.869 -2.586 1.00 0.45 N ATOM 822 CA GLN A 54 8.007 -8.799 -3.658 1.00 0.48 C ATOM 823 C GLN A 54 7.313 -8.975 -5.001 1.00 0.51 C ATOM 824 O GLN A 54 7.698 -8.376 -6.007 1.00 0.55 O ATOM 825 CB GLN A 54 9.075 -9.885 -3.468 1.00 0.50 C ATOM 826 CG GLN A 54 10.132 -9.894 -4.561 1.00 0.74 C ATOM 827 CD GLN A 54 11.025 -11.117 -4.498 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.715 -12.157 -5.073 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.146 -10.996 -3.806 1.00 1.07 N ATOM 0 H GLN A 54 7.123 -9.682 -1.978 1.00 0.45 H new ATOM 0 HA GLN A 54 8.495 -7.825 -3.632 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.562 -9.740 -2.504 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.589 -10.860 -3.436 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.643 -9.855 -5.534 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.745 -8.997 -4.476 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.367 -10.114 -3.343 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.790 -11.784 -3.736 1.00 1.07 H new ATOM 838 N GLN A 55 6.279 -9.805 -5.004 1.00 0.52 N ATOM 839 CA GLN A 55 5.508 -10.058 -6.209 1.00 0.57 C ATOM 840 C GLN A 55 4.694 -8.829 -6.587 1.00 0.58 C ATOM 841 O GLN A 55 4.492 -8.552 -7.762 1.00 0.74 O ATOM 842 CB GLN A 55 4.575 -11.249 -6.014 1.00 0.62 C ATOM 843 CG GLN A 55 5.267 -12.590 -6.166 1.00 0.65 C ATOM 844 CD GLN A 55 4.291 -13.732 -6.355 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.571 -14.874 -5.985 1.00 1.83 O ATOM 846 NE2 GLN A 55 3.132 -13.434 -6.932 1.00 2.01 N ATOM 0 H GLN A 55 5.956 -10.315 -4.182 1.00 0.52 H new ATOM 0 HA GLN A 55 6.207 -10.286 -7.014 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.127 -11.191 -5.022 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.761 -11.185 -6.736 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.944 -12.551 -7.020 1.00 0.65 H new ATOM 0 HG3 GLN A 55 5.878 -12.781 -5.284 1.00 0.65 H new ATOM 0 HE21 GLN A 55 2.939 -12.476 -7.224 1.00 2.01 H new ATOM 0 HE22 GLN A 55 2.435 -14.163 -7.083 1.00 2.01 H new ATOM 855 N LEU A 56 4.219 -8.106 -5.578 1.00 0.51 N ATOM 856 CA LEU A 56 3.434 -6.901 -5.797 1.00 0.50 C ATOM 857 C LEU A 56 4.327 -5.729 -6.189 1.00 0.47 C ATOM 858 O LEU A 56 4.053 -5.023 -7.158 1.00 0.48 O ATOM 859 CB LEU A 56 2.650 -6.538 -4.537 1.00 0.49 C ATOM 860 CG LEU A 56 1.507 -5.554 -4.764 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.363 -6.239 -5.491 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.027 -4.975 -3.452 1.00 0.48 C ATOM 0 H LEU A 56 4.366 -8.337 -4.596 1.00 0.51 H new ATOM 0 HA LEU A 56 2.739 -7.103 -6.612 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.245 -7.451 -4.101 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.338 -6.113 -3.806 1.00 0.49 H new ATOM 0 HG LEU A 56 1.876 -4.735 -5.381 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.447 -5.527 -5.647 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.713 -6.608 -6.455 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.001 -7.075 -4.893 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.212 -4.276 -3.639 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.674 -5.779 -2.807 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.849 -4.451 -2.963 1.00 0.48 H new ATOM 874 N ALA A 57 5.397 -5.532 -5.425 1.00 0.45 N ATOM 875 CA ALA A 57 6.340 -4.449 -5.683 1.00 0.44 C ATOM 876 C ALA A 57 6.976 -4.614 -7.061 1.00 0.46 C ATOM 877 O ALA A 57 7.335 -3.639 -7.719 1.00 0.49 O ATOM 878 CB ALA A 57 7.406 -4.406 -4.594 1.00 0.44 C ATOM 0 H ALA A 57 5.633 -6.111 -4.619 1.00 0.45 H new ATOM 0 HA ALA A 57 5.800 -3.503 -5.670 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.103 -3.593 -4.799 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.931 -4.242 -3.627 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.947 -5.352 -4.577 1.00 0.44 H new ATOM 884 N GLY A 58 7.105 -5.864 -7.489 1.00 0.53 N ATOM 885 CA GLY A 58 7.669 -6.157 -8.790 1.00 0.61 C ATOM 886 C GLY A 58 6.598 -6.483 -9.815 1.00 0.94 C ATOM 887 O GLY A 58 6.874 -7.111 -10.841 1.00 1.14 O ATOM 0 H GLY A 58 6.826 -6.685 -6.952 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.251 -5.302 -9.134 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.357 -6.998 -8.705 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.979 -13.403 -7.793 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.995 -12.363 -7.860 1.00 0.66 C ATOM 1019 C VAL B 4 -9.769 -11.355 -6.756 1.00 0.59 C ATOM 1020 O VAL B 4 -9.561 -11.715 -5.604 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.411 -12.942 -7.734 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.463 -11.846 -7.850 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.634 -14.014 -8.778 1.00 0.73 C ATOM 0 HA VAL B 4 -9.910 -11.881 -8.834 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.509 -13.394 -6.747 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.457 -12.284 -7.757 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.314 -11.113 -7.057 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.372 -11.355 -8.819 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.642 -14.416 -8.677 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.512 -13.584 -9.772 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.908 -14.815 -8.638 1.00 0.73 H new ATOM 1033 N THR B 5 -9.831 -10.096 -7.109 1.00 0.50 N ATOM 1034 CA THR B 5 -9.602 -9.036 -6.161 1.00 0.45 C ATOM 1035 C THR B 5 -10.917 -8.465 -5.656 1.00 0.40 C ATOM 1036 O THR B 5 -11.986 -8.787 -6.184 1.00 0.39 O ATOM 1037 CB THR B 5 -8.775 -7.925 -6.830 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.594 -7.187 -7.743 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.601 -8.518 -7.599 1.00 0.48 C ATOM 0 H THR B 5 -10.040 -9.778 -8.055 1.00 0.50 H new ATOM 0 HA THR B 5 -9.057 -9.442 -5.309 1.00 0.45 H new ATOM 0 HB THR B 5 -8.400 -7.266 -6.047 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.588 -7.628 -8.618 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.029 -7.716 -8.065 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.959 -9.071 -6.913 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.974 -9.192 -8.370 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.851 -7.607 -4.646 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.052 -6.989 -4.113 1.00 0.36 C ATOM 1049 C LEU B 6 -12.483 -5.891 -5.071 1.00 0.32 C ATOM 1050 O LEU B 6 -13.598 -5.371 -5.016 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.764 -6.479 -2.700 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.626 -5.345 -2.161 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.838 -5.525 -0.666 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.961 -4.011 -2.445 1.00 0.50 C ATOM 0 H LEU B 6 -9.985 -7.327 -4.185 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.875 -7.698 -4.030 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.855 -7.322 -2.015 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.724 -6.153 -2.668 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.596 -5.363 -2.657 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.455 -4.711 -0.285 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.337 -6.476 -0.481 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.874 -5.517 -0.158 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.583 -3.204 -2.057 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.985 -3.981 -1.962 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.837 -3.888 -3.521 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.576 -5.596 -5.992 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.785 -4.596 -7.016 1.00 0.32 C ATOM 1068 C TYR B 7 -12.645 -5.173 -8.139 1.00 0.32 C ATOM 1069 O TYR B 7 -13.447 -4.461 -8.749 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.430 -4.130 -7.564 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.813 -2.988 -6.783 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.121 -3.197 -5.581 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -9.935 -1.683 -7.246 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.584 -2.134 -4.886 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.392 -0.623 -6.553 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.719 -0.852 -5.375 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.177 0.209 -4.683 1.00 0.49 O ATOM 0 H TYR B 7 -10.666 -6.053 -6.045 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.305 -3.740 -6.586 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.739 -4.973 -7.563 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.555 -3.822 -8.602 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.008 -4.200 -5.196 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.466 -1.496 -8.168 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.058 -2.306 -3.959 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.494 0.383 -6.933 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.754 0.433 -3.923 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.468 -6.466 -8.404 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.242 -7.158 -9.439 1.00 0.35 C ATOM 1089 C ASP B 8 -14.686 -7.316 -8.989 1.00 0.31 C ATOM 1090 O ASP B 8 -15.614 -7.169 -9.784 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.648 -8.535 -9.742 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.257 -8.448 -10.335 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.124 -7.978 -11.487 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.291 -8.849 -9.651 1.00 1.31 O ATOM 0 H ASP B 8 -11.795 -7.058 -7.917 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.204 -6.557 -10.347 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.612 -9.122 -8.824 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.302 -9.065 -10.434 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.854 -7.602 -7.700 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.172 -7.772 -7.106 1.00 0.25 C ATOM 1101 C VAL B 9 -16.990 -6.500 -7.297 1.00 0.25 C ATOM 1102 O VAL B 9 -18.173 -6.549 -7.637 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.050 -8.106 -5.604 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.413 -8.279 -4.960 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.211 -9.359 -5.409 1.00 0.28 C ATOM 0 H VAL B 9 -14.083 -7.721 -7.043 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.677 -8.601 -7.602 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.555 -7.267 -5.115 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.289 -8.513 -3.903 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.984 -7.356 -5.063 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.947 -9.092 -5.452 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.133 -9.583 -4.345 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.683 -10.197 -5.922 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.214 -9.197 -5.819 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.338 -5.363 -7.102 1.00 0.25 N ATOM 1116 CA ALA B 10 -16.982 -4.069 -7.268 1.00 0.28 C ATOM 1117 C ALA B 10 -17.303 -3.791 -8.734 1.00 0.33 C ATOM 1118 O ALA B 10 -18.417 -3.384 -9.067 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.088 -2.973 -6.726 1.00 0.31 C ATOM 0 H ALA B 10 -15.357 -5.311 -6.827 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.919 -4.088 -6.711 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.577 -2.008 -6.854 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.901 -3.147 -5.666 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.142 -2.975 -7.267 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.317 -4.035 -9.595 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.456 -3.806 -11.031 1.00 0.44 C ATOM 1127 C GLU B 11 -17.653 -4.562 -11.601 1.00 0.47 C ATOM 1128 O GLU B 11 -18.467 -3.994 -12.331 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.176 -4.241 -11.749 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.060 -3.749 -13.181 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.808 -4.875 -14.161 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.665 -5.385 -14.211 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -15.754 -5.251 -14.881 1.00 2.34 O ATOM 0 H GLU B 11 -15.404 -4.395 -9.318 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.623 -2.741 -11.191 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.317 -3.881 -11.183 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.125 -5.330 -11.747 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -15.976 -3.228 -13.458 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -14.249 -3.024 -13.248 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.761 -5.835 -11.243 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.849 -6.684 -11.725 1.00 0.49 C ATOM 1142 C TYR B 12 -20.191 -6.293 -11.111 1.00 0.49 C ATOM 1143 O TYR B 12 -21.227 -6.357 -11.775 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.552 -8.144 -11.401 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.570 -9.105 -11.976 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.548 -9.452 -13.322 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.557 -9.660 -11.172 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -20.479 -10.326 -13.846 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.489 -10.535 -11.691 1.00 1.18 C ATOM 1150 CZ TYR B 12 -21.447 -10.864 -13.027 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.376 -11.739 -13.541 1.00 0.94 O ATOM 0 H TYR B 12 -17.107 -6.306 -10.618 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.918 -6.546 -12.804 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.564 -8.400 -11.784 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.516 -8.269 -10.319 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.791 -9.031 -13.967 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.596 -9.403 -10.124 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -20.449 -10.587 -14.894 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -22.248 -10.960 -11.052 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.985 -12.025 -12.829 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.170 -5.891 -9.848 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.390 -5.511 -9.149 1.00 0.48 C ATOM 1163 C ALA B 13 -21.887 -4.134 -9.585 1.00 0.52 C ATOM 1164 O ALA B 13 -23.028 -3.760 -9.305 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.161 -5.539 -7.649 1.00 0.43 C ATOM 0 H ALA B 13 -19.322 -5.819 -9.286 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.162 -6.235 -9.409 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.079 -5.253 -7.135 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -20.872 -6.545 -7.344 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.367 -4.839 -7.389 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.022 -3.377 -10.253 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.396 -2.051 -10.717 1.00 0.55 C ATOM 1173 C GLY B 14 -21.341 -1.019 -9.609 1.00 0.52 C ATOM 1174 O GLY B 14 -21.892 0.075 -9.734 1.00 0.59 O ATOM 0 H GLY B 14 -20.068 -3.657 -10.482 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.729 -1.750 -11.525 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.404 -2.084 -11.131 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.671 -1.375 -8.526 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.531 -0.497 -7.377 1.00 0.46 C ATOM 1180 C VAL B 15 -19.090 -0.044 -7.235 1.00 0.43 C ATOM 1181 O VAL B 15 -18.187 -0.632 -7.833 1.00 0.43 O ATOM 1182 CB VAL B 15 -20.945 -1.214 -6.071 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.399 -1.641 -6.124 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.049 -2.419 -5.802 1.00 0.36 C ATOM 0 H VAL B 15 -20.210 -2.278 -8.419 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.184 0.360 -7.541 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.824 -0.506 -5.251 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.665 -2.143 -5.194 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.031 -0.763 -6.256 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.547 -2.324 -6.960 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.361 -2.905 -4.878 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.130 -3.125 -6.629 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.014 -2.089 -5.707 1.00 0.36 H new ATOM 1194 N SER B 16 -18.864 1.008 -6.460 1.00 0.45 N ATOM 1195 CA SER B 16 -17.512 1.474 -6.234 1.00 0.46 C ATOM 1196 C SER B 16 -16.778 0.429 -5.398 1.00 0.41 C ATOM 1197 O SER B 16 -17.408 -0.275 -4.607 1.00 0.39 O ATOM 1198 CB SER B 16 -17.529 2.829 -5.521 1.00 0.50 C ATOM 1199 OG SER B 16 -18.285 2.773 -4.319 1.00 0.64 O ATOM 0 H SER B 16 -19.590 1.545 -5.986 1.00 0.45 H new ATOM 0 HA SER B 16 -16.997 1.609 -7.185 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.508 3.136 -5.296 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.951 3.585 -6.183 1.00 0.50 H new ATOM 0 HG SER B 16 -18.681 3.651 -4.140 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.467 0.305 -5.575 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.692 -0.672 -4.813 1.00 0.41 C ATOM 1207 C TYR B 17 -14.829 -0.407 -3.310 1.00 0.41 C ATOM 1208 O TYR B 17 -14.691 -1.315 -2.487 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.221 -0.660 -5.260 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.256 -0.146 -4.221 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.077 1.213 -4.018 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.530 -1.030 -3.438 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -11.200 1.675 -3.063 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.650 -0.583 -2.479 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.491 0.779 -2.296 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.624 1.253 -1.348 1.00 1.42 O ATOM 0 H TYR B 17 -14.921 0.862 -6.232 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.087 -1.668 -5.011 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.931 -1.673 -5.538 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.132 -0.046 -6.156 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.633 1.919 -4.617 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.658 -2.092 -3.584 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -11.069 2.737 -2.916 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -10.092 -1.285 -1.878 1.00 1.49 H new ATOM 0 HH TYR B 17 -9.199 0.500 -0.888 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.127 0.843 -2.970 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.320 1.245 -1.585 1.00 0.44 C ATOM 1228 C GLN B 18 -16.593 0.626 -1.022 1.00 0.38 C ATOM 1229 O GLN B 18 -16.724 0.434 0.185 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.401 2.761 -1.499 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.630 3.347 -0.333 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.886 4.606 -0.718 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.767 5.533 0.076 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.384 4.650 -1.948 1.00 0.87 N ATOM 0 H GLN B 18 -15.241 1.600 -3.644 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.473 0.893 -0.996 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.021 3.190 -2.426 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.447 3.056 -1.417 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.319 3.569 0.482 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.922 2.608 0.041 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.506 3.856 -2.577 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.877 5.477 -2.263 1.00 0.87 H new ATOM 1243 N THR B 19 -17.535 0.324 -1.910 1.00 0.39 N ATOM 1244 CA THR B 19 -18.788 -0.299 -1.515 1.00 0.38 C ATOM 1245 C THR B 19 -18.507 -1.684 -0.956 1.00 0.34 C ATOM 1246 O THR B 19 -19.173 -2.142 -0.028 1.00 0.36 O ATOM 1247 CB THR B 19 -19.778 -0.370 -2.699 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.083 0.960 -3.138 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.066 -1.087 -2.311 1.00 0.45 C ATOM 0 H THR B 19 -17.451 0.502 -2.911 1.00 0.39 H new ATOM 0 HA THR B 19 -19.256 0.311 -0.742 1.00 0.38 H new ATOM 0 HB THR B 19 -19.309 -0.937 -3.503 1.00 0.41 H new ATOM 0 HG1 THR B 19 -19.299 1.346 -3.582 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.738 -1.118 -3.169 1.00 0.45 H new ATOM 0 HG22 THR B 19 -20.835 -2.104 -1.994 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.547 -0.553 -1.492 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.481 -2.329 -1.503 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.081 -3.644 -1.035 1.00 0.33 C ATOM 1259 C VAL B 20 -16.493 -3.493 0.360 1.00 0.36 C ATOM 1260 O VAL B 20 -16.919 -4.176 1.292 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.068 -4.325 -1.975 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.025 -5.820 -1.708 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.416 -4.060 -3.433 1.00 0.44 C ATOM 0 H VAL B 20 -16.916 -1.961 -2.268 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.960 -4.288 -1.017 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.083 -3.902 -1.778 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.305 -6.289 -2.379 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.726 -5.997 -0.675 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.013 -6.249 -1.878 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.686 -4.551 -4.076 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.410 -4.452 -3.647 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.401 -2.986 -3.621 1.00 0.44 H new ATOM 1273 N SER B 21 -15.512 -2.586 0.497 1.00 0.39 N ATOM 1274 CA SER B 21 -14.916 -2.275 1.782 1.00 0.45 C ATOM 1275 C SER B 21 -15.991 -1.959 2.822 1.00 0.45 C ATOM 1276 O SER B 21 -15.865 -2.318 3.988 1.00 0.52 O ATOM 1277 CB SER B 21 -14.006 -1.077 1.601 1.00 0.50 C ATOM 1278 OG SER B 21 -13.263 -1.217 0.404 1.00 1.29 O ATOM 0 H SER B 21 -15.120 -2.057 -0.282 1.00 0.39 H new ATOM 0 HA SER B 21 -14.351 -3.136 2.140 1.00 0.45 H new ATOM 0 HB2 SER B 21 -14.597 -0.161 1.568 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.330 -0.990 2.452 1.00 0.50 H new ATOM 0 HG SER B 21 -12.677 -0.440 0.290 1.00 1.29 H new ATOM 1284 N ARG B 22 -17.055 -1.288 2.387 1.00 0.44 N ATOM 1285 CA ARG B 22 -18.156 -0.932 3.275 1.00 0.51 C ATOM 1286 C ARG B 22 -18.826 -2.174 3.853 1.00 0.54 C ATOM 1287 O ARG B 22 -19.038 -2.268 5.058 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.184 -0.065 2.544 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.810 1.405 2.513 1.00 0.72 C ATOM 1290 CD ARG B 22 -19.883 2.244 1.842 1.00 1.03 C ATOM 1291 NE ARG B 22 -19.733 2.271 0.389 1.00 1.46 N ATOM 1292 CZ ARG B 22 -19.192 3.289 -0.284 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -18.736 4.355 0.367 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -19.107 3.240 -1.610 1.00 2.66 N ATOM 0 H ARG B 22 -17.177 -0.980 1.422 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.740 -0.357 4.102 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.294 -0.427 1.522 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -20.154 -0.177 3.028 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.653 1.762 3.531 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -17.866 1.529 1.982 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -20.865 1.846 2.097 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -19.841 3.262 2.229 1.00 1.03 H new ATOM 0 HE ARG B 22 -20.061 1.465 -0.142 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.799 4.397 1.384 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -18.323 5.131 -0.151 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -19.455 2.424 -2.114 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -18.694 4.018 -2.124 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.132 -3.140 2.999 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.771 -4.375 3.447 1.00 0.58 C ATOM 1310 C VAL B 23 -18.804 -5.202 4.297 1.00 0.62 C ATOM 1311 O VAL B 23 -19.214 -5.999 5.142 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.239 -5.223 2.246 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.996 -6.457 2.705 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.101 -4.396 1.307 1.00 0.55 C ATOM 0 H VAL B 23 -18.950 -3.096 1.996 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.638 -4.098 4.047 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.350 -5.551 1.707 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.313 -7.034 1.836 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.347 -7.070 3.331 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.872 -6.154 3.278 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.420 -5.013 0.467 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.977 -4.032 1.843 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.525 -3.548 0.936 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.521 -4.977 4.083 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.484 -5.699 4.790 1.00 0.69 C ATOM 1326 C VAL B 24 -16.142 -5.052 6.143 1.00 0.76 C ATOM 1327 O VAL B 24 -15.833 -5.757 7.103 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.214 -5.803 3.910 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -14.061 -6.428 4.667 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.502 -6.604 2.645 1.00 0.66 C ATOM 0 H VAL B 24 -17.171 -4.290 3.415 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.867 -6.698 4.998 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.926 -4.789 3.632 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.187 -6.485 4.018 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.826 -5.819 5.540 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.339 -7.431 4.990 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.598 -6.666 2.040 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.827 -7.609 2.916 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.288 -6.111 2.073 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.203 -3.722 6.239 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.864 -3.055 7.501 1.00 0.79 C ATOM 1342 C ASN B 25 -16.665 -1.781 7.771 1.00 1.20 C ATOM 1343 O ASN B 25 -16.973 -1.476 8.918 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.376 -2.713 7.534 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.960 -1.771 6.417 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -14.125 -0.559 6.509 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.414 -2.325 5.357 1.00 1.07 N ATOM 0 H ASN B 25 -16.476 -3.098 5.480 1.00 0.72 H new ATOM 0 HA ASN B 25 -16.123 -3.768 8.284 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -14.134 -2.258 8.495 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -13.795 -3.633 7.462 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -13.112 -1.743 4.576 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.293 -3.337 5.316 1.00 1.07 H new ATOM 1392 N HIS B 29 -24.994 2.481 6.098 1.00 0.98 N ATOM 1393 CA HIS B 29 -25.036 2.997 4.723 1.00 0.93 C ATOM 1394 C HIS B 29 -24.795 1.954 3.630 1.00 0.85 C ATOM 1395 O HIS B 29 -24.169 2.250 2.612 1.00 1.08 O ATOM 1396 CB HIS B 29 -24.090 4.181 4.539 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.675 3.976 4.967 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -22.040 4.828 5.832 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -21.756 3.045 4.620 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.801 4.440 5.996 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -20.593 3.349 5.279 1.00 1.31 N ATOM 0 HA HIS B 29 -26.067 3.326 4.594 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -24.091 4.458 3.485 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -24.494 5.029 5.091 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -21.911 2.215 3.947 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -20.067 4.932 6.617 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -19.720 2.825 5.225 1.00 1.31 H new ATOM 1410 N VAL B 30 -25.284 0.743 3.832 1.00 0.81 N ATOM 1411 CA VAL B 30 -25.146 -0.299 2.832 1.00 0.78 C ATOM 1412 C VAL B 30 -26.485 -0.990 2.657 1.00 0.81 C ATOM 1413 O VAL B 30 -26.796 -1.960 3.353 1.00 0.92 O ATOM 1414 CB VAL B 30 -24.065 -1.349 3.176 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.917 -2.332 2.028 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.721 -0.700 3.478 1.00 1.22 C ATOM 0 H VAL B 30 -25.779 0.458 4.677 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.823 0.184 1.909 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.388 -1.876 4.074 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -23.154 -3.069 2.277 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.868 -2.837 1.857 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.623 -1.796 1.126 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.989 -1.472 3.715 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.385 -0.137 2.607 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.825 -0.026 4.328 1.00 1.22 H new ATOM 1426 N SER B 31 -27.274 -0.462 1.733 1.00 0.82 N ATOM 1427 CA SER B 31 -28.601 -0.982 1.438 1.00 0.88 C ATOM 1428 C SER B 31 -28.543 -2.454 1.048 1.00 0.94 C ATOM 1429 O SER B 31 -27.566 -2.909 0.452 1.00 1.42 O ATOM 1430 CB SER B 31 -29.219 -0.155 0.312 1.00 0.90 C ATOM 1431 OG SER B 31 -28.211 0.547 -0.398 1.00 0.83 O ATOM 0 H SER B 31 -27.011 0.343 1.164 1.00 0.82 H new ATOM 0 HA SER B 31 -29.218 -0.906 2.333 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.765 -0.808 -0.369 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.940 0.550 0.724 1.00 0.90 H new ATOM 0 HG SER B 31 -27.565 -0.092 -0.767 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.596 -3.188 1.391 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.684 -4.614 1.097 1.00 0.92 C ATOM 1439 C ALA B 32 -29.426 -4.908 -0.380 1.00 0.86 C ATOM 1440 O ALA B 32 -28.794 -5.908 -0.716 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.044 -5.148 1.517 1.00 1.07 C ATOM 0 H ALA B 32 -30.410 -2.813 1.879 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.906 -5.121 1.668 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.101 -6.213 1.294 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.181 -4.993 2.587 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.826 -4.621 0.971 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.905 -4.028 -1.256 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.722 -4.200 -2.691 1.00 0.87 C ATOM 1449 C LYS B 33 -28.240 -4.237 -3.058 1.00 0.79 C ATOM 1450 O LYS B 33 -27.803 -5.126 -3.790 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.432 -3.082 -3.453 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.365 -3.214 -4.971 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.265 -2.196 -5.653 1.00 1.82 C ATOM 1454 CE LYS B 33 -31.003 -2.123 -7.147 1.00 2.55 C ATOM 1455 NZ LYS B 33 -31.443 -3.349 -7.859 1.00 3.30 N ATOM 0 H LYS B 33 -30.423 -3.189 -0.995 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.162 -5.156 -2.976 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.478 -3.059 -3.148 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.994 -2.127 -3.164 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.337 -3.076 -5.305 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.663 -4.221 -5.264 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -32.308 -2.459 -5.479 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.106 -1.214 -5.208 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -31.522 -1.259 -7.562 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -29.938 -1.969 -7.319 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -31.243 -3.251 -8.875 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -30.930 -4.172 -7.483 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.465 -3.484 -7.719 1.00 3.30 H new ATOM 1469 N THR B 34 -27.470 -3.284 -2.541 1.00 0.68 N ATOM 1470 CA THR B 34 -26.044 -3.226 -2.825 1.00 0.61 C ATOM 1471 C THR B 34 -25.274 -4.254 -2.004 1.00 0.57 C ATOM 1472 O THR B 34 -24.298 -4.835 -2.476 1.00 0.54 O ATOM 1473 CB THR B 34 -25.476 -1.822 -2.546 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.256 -1.173 -1.537 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.470 -0.979 -3.814 1.00 0.73 C ATOM 0 H THR B 34 -27.810 -2.545 -1.926 1.00 0.68 H new ATOM 0 HA THR B 34 -25.921 -3.454 -3.884 1.00 0.61 H new ATOM 0 HB THR B 34 -24.449 -1.930 -2.197 1.00 0.64 H new ATOM 0 HG1 THR B 34 -26.508 -1.824 -0.849 1.00 0.79 H new ATOM 0 HG21 THR B 34 -25.065 0.008 -3.593 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.852 -1.464 -4.570 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.489 -0.877 -4.188 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.732 -4.487 -0.777 1.00 0.61 N ATOM 1484 CA ARG B 35 -25.098 -5.445 0.119 1.00 0.61 C ATOM 1485 C ARG B 35 -25.125 -6.841 -0.485 1.00 0.60 C ATOM 1486 O ARG B 35 -24.100 -7.524 -0.554 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.811 -5.434 1.471 1.00 0.69 C ATOM 1488 CG ARG B 35 -25.171 -6.336 2.512 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.845 -6.185 3.864 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.618 -4.858 4.444 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.548 -4.540 5.176 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -23.600 -5.447 5.400 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.429 -3.319 5.694 1.00 3.21 N ATOM 0 H ARG B 35 -26.547 -4.020 -0.380 1.00 0.61 H new ATOM 0 HA ARG B 35 -24.056 -5.158 0.263 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.831 -4.413 1.852 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.847 -5.740 1.327 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -25.235 -7.374 2.185 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -24.112 -6.095 2.603 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -26.916 -6.356 3.756 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -25.468 -6.948 4.545 1.00 1.00 H new ATOM 0 HE ARG B 35 -26.319 -4.135 4.279 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -23.691 -6.386 5.012 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -22.783 -5.203 5.959 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -25.157 -2.623 5.532 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -23.610 -3.080 6.253 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.304 -7.255 -0.938 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.466 -8.566 -1.544 1.00 0.67 C ATOM 1509 C GLU B 36 -25.751 -8.627 -2.887 1.00 0.62 C ATOM 1510 O GLU B 36 -25.306 -9.687 -3.311 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.944 -8.902 -1.726 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.670 -9.181 -0.422 1.00 0.84 C ATOM 1513 CD GLU B 36 -28.080 -10.355 0.331 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -28.342 -11.513 -0.063 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -27.347 -10.127 1.315 1.00 2.09 O ATOM 0 H GLU B 36 -27.159 -6.700 -0.896 1.00 0.63 H new ATOM 0 HA GLU B 36 -26.022 -9.302 -0.874 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.436 -8.074 -2.236 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -28.033 -9.773 -2.375 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.632 -8.293 0.209 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -29.721 -9.379 -0.630 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.633 -7.473 -3.536 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.970 -7.377 -4.832 1.00 0.56 C ATOM 1524 C LYS B 37 -23.489 -7.700 -4.696 1.00 0.48 C ATOM 1525 O LYS B 37 -22.937 -8.473 -5.480 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.145 -5.972 -5.417 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.537 -5.811 -6.799 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.547 -6.127 -7.883 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.477 -4.948 -8.138 1.00 1.31 C ATOM 1530 NZ LYS B 37 -25.830 -3.888 -8.961 1.00 1.66 N ATOM 0 H LYS B 37 -25.991 -6.586 -3.183 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.428 -8.101 -5.507 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.208 -5.738 -5.467 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.690 -5.247 -4.742 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -24.174 -4.791 -6.923 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -23.675 -6.470 -6.899 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.025 -6.386 -8.804 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.134 -6.999 -7.593 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.376 -5.300 -8.644 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -26.792 -4.524 -7.185 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -26.056 -2.954 -8.564 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -24.799 -4.026 -8.956 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -26.182 -3.944 -9.938 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.853 -7.100 -3.695 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.434 -7.319 -3.442 1.00 0.37 C ATOM 1546 C VAL B 38 -21.168 -8.778 -3.094 1.00 0.39 C ATOM 1547 O VAL B 38 -20.278 -9.410 -3.663 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.917 -6.415 -2.302 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.449 -6.683 -2.028 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.134 -4.950 -2.640 1.00 0.38 C ATOM 0 H VAL B 38 -23.301 -6.456 -3.043 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.899 -7.063 -4.357 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.483 -6.649 -1.400 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.105 -6.035 -1.221 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.317 -7.725 -1.738 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.868 -6.481 -2.928 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.763 -4.330 -1.824 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.597 -4.704 -3.556 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.198 -4.763 -2.783 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.948 -9.316 -2.163 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.800 -10.705 -1.752 1.00 0.50 C ATOM 1562 C GLU B 39 -22.088 -11.647 -2.919 1.00 0.53 C ATOM 1563 O GLU B 39 -21.438 -12.682 -3.065 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.720 -11.014 -0.572 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.299 -10.325 0.716 1.00 0.63 C ATOM 1566 CD GLU B 39 -22.930 -10.948 1.944 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -23.253 -12.155 1.903 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -23.100 -10.237 2.958 1.00 1.79 O ATOM 0 H GLU B 39 -22.690 -8.810 -1.679 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.769 -10.861 -1.435 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.736 -10.710 -0.823 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.741 -12.092 -0.409 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.214 -10.368 0.808 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.573 -9.271 0.666 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.054 -11.279 -3.757 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.405 -12.088 -4.918 1.00 0.61 C ATOM 1577 C ALA B 40 -22.256 -12.108 -5.914 1.00 0.53 C ATOM 1578 O ALA B 40 -21.940 -13.145 -6.497 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.668 -11.561 -5.580 1.00 0.70 C ATOM 0 H ALA B 40 -23.606 -10.427 -3.653 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.595 -13.107 -4.581 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.911 -12.180 -6.444 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.492 -11.592 -4.868 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.507 -10.533 -5.904 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.624 -10.953 -6.089 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.499 -10.827 -7.003 1.00 0.43 C ATOM 1587 C ALA B 41 -19.314 -11.649 -6.511 1.00 0.38 C ATOM 1588 O ALA B 41 -18.565 -12.209 -7.310 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.107 -9.367 -7.173 1.00 0.42 C ATOM 0 H ALA B 41 -21.874 -10.089 -5.608 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.803 -11.214 -7.976 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.264 -9.294 -7.860 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.952 -8.808 -7.575 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.824 -8.951 -6.206 1.00 0.42 H new ATOM 1595 N MET B 42 -19.162 -11.742 -5.190 1.00 0.38 N ATOM 1596 CA MET B 42 -18.072 -12.517 -4.595 1.00 0.40 C ATOM 1597 C MET B 42 -18.171 -13.985 -5.012 1.00 0.45 C ATOM 1598 O MET B 42 -17.184 -14.716 -4.986 1.00 0.52 O ATOM 1599 CB MET B 42 -18.102 -12.422 -3.067 1.00 0.44 C ATOM 1600 CG MET B 42 -17.694 -11.068 -2.511 1.00 0.41 C ATOM 1601 SD MET B 42 -17.535 -11.085 -0.715 1.00 0.51 S ATOM 1602 CE MET B 42 -17.354 -9.338 -0.365 1.00 0.46 C ATOM 0 H MET B 42 -19.778 -11.292 -4.513 1.00 0.38 H new ATOM 0 HA MET B 42 -17.132 -12.099 -4.956 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.109 -12.654 -2.721 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.440 -13.184 -2.655 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.745 -10.767 -2.955 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.433 -10.321 -2.801 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.594 -9.198 0.404 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.053 -8.814 -1.272 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.304 -8.937 -0.013 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.371 -14.406 -5.400 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.605 -15.779 -5.827 1.00 0.53 C ATOM 1614 C ALA B 43 -19.536 -15.895 -7.349 1.00 0.55 C ATOM 1615 O ALA B 43 -19.156 -16.934 -7.887 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.952 -16.266 -5.312 1.00 0.61 C ATOM 0 H ALA B 43 -20.199 -13.812 -5.427 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.822 -16.409 -5.406 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -21.116 -17.293 -5.637 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.962 -16.224 -4.223 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.744 -15.630 -5.707 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.888 -14.811 -8.034 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.873 -14.780 -9.492 1.00 0.58 C ATOM 1624 C GLU B 44 -18.446 -14.779 -10.006 1.00 0.59 C ATOM 1625 O GLU B 44 -18.097 -15.537 -10.911 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.608 -13.543 -10.005 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.096 -13.572 -9.718 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.822 -14.664 -10.482 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.231 -14.416 -11.637 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -22.990 -15.770 -9.932 1.00 1.29 O ATOM 0 H GLU B 44 -20.189 -13.938 -7.600 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.381 -15.672 -9.859 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.173 -12.654 -9.548 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.453 -13.456 -11.080 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.252 -13.718 -8.649 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.530 -12.606 -9.975 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.624 -13.921 -9.416 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.219 -13.816 -9.806 1.00 0.55 C ATOM 1639 C LEU B 45 -15.390 -14.900 -9.138 1.00 0.55 C ATOM 1640 O LEU B 45 -14.290 -15.212 -9.593 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.619 -12.452 -9.419 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.123 -11.223 -10.185 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.628 -11.595 -11.567 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.195 -10.505 -9.390 1.00 0.99 C ATOM 0 H LEU B 45 -17.903 -13.288 -8.667 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.190 -13.930 -10.890 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.807 -12.289 -8.358 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.538 -12.510 -9.546 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.281 -10.545 -10.319 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.977 -10.699 -12.080 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.820 -12.049 -12.140 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.451 -12.304 -11.475 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.541 -9.635 -9.949 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.032 -11.181 -9.215 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.784 -10.182 -8.434 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.941 -15.478 -8.067 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.247 -16.489 -7.280 1.00 0.59 C ATOM 1658 C ASN B 46 -14.089 -15.794 -6.572 1.00 0.54 C ATOM 1659 O ASN B 46 -12.924 -16.150 -6.732 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.758 -17.646 -8.163 1.00 0.71 C ATOM 1661 CG ASN B 46 -14.422 -18.890 -7.366 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -15.280 -19.736 -7.121 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -13.168 -19.016 -6.971 1.00 1.40 N ATOM 0 H ASN B 46 -16.876 -15.256 -7.726 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.922 -16.934 -6.549 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -15.527 -17.887 -8.897 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.876 -17.326 -8.718 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -12.880 -19.839 -6.442 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.487 -18.290 -7.195 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.460 -14.756 -5.820 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.525 -13.909 -5.081 1.00 0.46 C ATOM 1672 C TYR B 47 -12.527 -14.705 -4.245 1.00 0.52 C ATOM 1673 O TYR B 47 -12.894 -15.427 -3.314 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.319 -12.935 -4.191 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.486 -11.930 -3.401 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.145 -11.693 -3.689 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -14.058 -11.223 -2.346 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.402 -10.787 -2.954 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.320 -10.320 -1.605 1.00 1.33 C ATOM 1680 CZ TYR B 47 -11.994 -10.105 -1.913 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.254 -9.215 -1.166 1.00 0.51 O ATOM 0 H TYR B 47 -15.434 -14.477 -5.706 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.934 -13.357 -5.812 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -15.018 -12.384 -4.821 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.914 -13.518 -3.488 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.676 -12.227 -4.502 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -15.098 -11.384 -2.103 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.363 -10.615 -3.195 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.780 -9.785 -0.788 1.00 1.33 H new ATOM 0 HH TYR B 47 -11.822 -8.819 -0.472 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.257 -14.563 -4.612 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.152 -15.187 -3.904 1.00 0.64 C ATOM 1693 C ILE B 48 -9.255 -14.075 -3.371 1.00 0.59 C ATOM 1694 O ILE B 48 -8.376 -13.593 -4.081 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.325 -16.128 -4.809 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.208 -17.225 -5.414 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.181 -16.747 -4.018 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.818 -18.159 -4.388 1.00 1.28 C ATOM 0 H ILE B 48 -10.967 -14.006 -5.416 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.556 -15.800 -3.098 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.911 -15.537 -5.626 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -11.009 -16.758 -5.987 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.614 -17.810 -6.116 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.606 -17.408 -4.667 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.533 -15.958 -3.638 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.584 -17.319 -3.183 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.429 -18.907 -4.894 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.024 -18.656 -3.831 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.441 -17.587 -3.700 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.505 -13.657 -2.114 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.789 -12.571 -1.429 1.00 0.64 C ATOM 1712 C PRO B 49 -7.327 -12.409 -1.829 1.00 0.60 C ATOM 1713 O PRO B 49 -6.573 -13.382 -1.886 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.911 -12.985 0.030 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.263 -13.607 0.113 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.519 -14.253 -1.227 1.00 0.72 C ATOM 0 HA PRO B 49 -9.211 -11.597 -1.677 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.129 -13.690 0.312 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.824 -12.128 0.697 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.302 -14.346 0.914 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.022 -12.857 0.334 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.414 -15.337 -1.173 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.529 -14.048 -1.582 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.956 -11.157 -2.118 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.595 -10.801 -2.505 1.00 0.58 C ATOM 1726 C ASN B 50 -4.617 -11.161 -1.388 1.00 0.60 C ATOM 1727 O ASN B 50 -4.270 -10.319 -0.571 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.493 -9.293 -2.777 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.369 -8.789 -3.913 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.596 -8.735 -3.803 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.729 -8.378 -5.005 1.00 0.68 N ATOM 0 H ASN B 50 -7.596 -10.363 -2.089 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.345 -11.356 -3.410 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.758 -8.755 -1.867 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.455 -9.048 -3.001 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.255 -8.000 -5.793 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.712 -8.441 -5.054 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.175 -12.409 -1.363 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.258 -12.890 -0.334 1.00 0.84 C ATOM 1740 C ARG B 51 -2.013 -12.022 -0.199 1.00 0.76 C ATOM 1741 O ARG B 51 -1.568 -11.740 0.911 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.862 -14.340 -0.612 1.00 1.06 C ATOM 1743 CG ARG B 51 -3.958 -15.338 -0.274 1.00 1.68 C ATOM 1744 CD ARG B 51 -4.323 -15.292 1.205 1.00 2.18 C ATOM 1745 NE ARG B 51 -3.143 -15.432 2.059 1.00 2.97 N ATOM 1746 CZ ARG B 51 -2.955 -14.753 3.191 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.877 -13.906 3.620 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -1.842 -14.921 3.893 1.00 4.76 N ATOM 0 H ARG B 51 -4.438 -13.116 -2.050 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.791 -12.831 0.615 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -2.599 -14.442 -1.665 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -1.969 -14.582 -0.036 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -4.842 -15.125 -0.874 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -3.629 -16.343 -0.537 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -4.823 -14.349 1.427 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -5.031 -16.089 1.430 1.00 2.18 H new ATOM 0 HE ARG B 51 -2.419 -16.090 1.770 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -4.734 -13.771 3.084 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.730 -13.388 4.486 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -1.127 -15.571 3.567 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -1.701 -14.400 4.759 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.461 -11.590 -1.322 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.261 -10.763 -1.309 1.00 0.62 C ATOM 1764 C CYS B 52 -0.560 -9.299 -0.979 1.00 0.58 C ATOM 1765 O CYS B 52 0.057 -8.719 -0.082 1.00 0.61 O ATOM 1766 CB CYS B 52 0.456 -10.854 -2.655 1.00 0.66 C ATOM 1767 SG CYS B 52 0.995 -12.538 -3.090 1.00 0.70 S ATOM 0 H CYS B 52 -1.823 -11.797 -2.253 1.00 0.66 H new ATOM 0 HA CYS B 52 0.383 -11.149 -0.519 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.208 -10.482 -3.435 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.326 -10.198 -2.638 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.511 -8.711 -1.698 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.866 -7.303 -1.512 1.00 0.52 C ATOM 1774 C ALA B 53 -2.558 -7.022 -0.171 1.00 0.51 C ATOM 1775 O ALA B 53 -2.301 -5.992 0.448 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.716 -6.835 -2.675 1.00 0.53 C ATOM 0 H ALA B 53 -2.053 -9.188 -2.418 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.936 -6.735 -1.486 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.979 -5.787 -2.535 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -2.156 -6.947 -3.603 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.625 -7.434 -2.725 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.406 -7.935 0.294 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.114 -7.734 1.563 1.00 0.53 C ATOM 1784 C GLN B 54 -3.174 -7.894 2.748 1.00 0.58 C ATOM 1785 O GLN B 54 -3.255 -7.139 3.713 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.296 -8.693 1.707 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.439 -8.414 0.740 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.647 -9.290 1.015 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.520 -10.398 1.540 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.827 -8.806 0.661 1.00 0.64 N ATOM 0 H GLN B 54 -3.621 -8.813 -0.179 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.498 -6.714 1.553 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.944 -9.713 1.553 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.675 -8.637 2.728 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.728 -7.366 0.814 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.097 -8.579 -0.282 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -8.891 -7.884 0.229 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.672 -9.355 0.820 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.289 -8.884 2.684 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.324 -9.108 3.758 1.00 0.62 C ATOM 1801 C GLN B 55 -0.394 -7.905 3.856 1.00 0.60 C ATOM 1802 O GLN B 55 0.099 -7.559 4.926 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.511 -10.381 3.499 1.00 0.65 C ATOM 1804 CG GLN B 55 -0.517 -11.361 4.664 1.00 1.19 C ATOM 1805 CD GLN B 55 0.122 -10.797 5.921 1.00 1.78 C ATOM 1806 OE1 GLN B 55 1.336 -10.902 6.112 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -0.684 -10.197 6.786 1.00 2.52 N ATOM 0 H GLN B 55 -2.219 -9.540 1.906 1.00 0.57 H new ATOM 0 HA GLN B 55 -1.862 -9.234 4.698 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.907 -10.880 2.614 1.00 0.65 H new ATOM 0 HB3 GLN B 55 0.519 -10.104 3.275 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -1.545 -11.648 4.884 1.00 1.19 H new ATOM 0 HG3 GLN B 55 0.012 -12.268 4.371 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -1.683 -10.131 6.591 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -0.305 -9.802 7.646 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.177 -7.281 2.710 1.00 0.54 N ATOM 1817 CA LEU B 56 0.657 -6.105 2.592 1.00 0.53 C ATOM 1818 C LEU B 56 -0.048 -4.890 3.143 1.00 0.55 C ATOM 1819 O LEU B 56 0.358 -4.351 4.167 1.00 0.58 O ATOM 1820 CB LEU B 56 0.972 -5.879 1.124 1.00 0.48 C ATOM 1821 CG LEU B 56 2.225 -5.073 0.863 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.370 -5.637 1.665 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.551 -5.095 -0.604 1.00 0.46 C ATOM 0 H LEU B 56 -0.583 -7.585 1.825 1.00 0.54 H new ATOM 0 HA LEU B 56 1.573 -6.260 3.162 1.00 0.53 H new ATOM 0 HB2 LEU B 56 1.071 -6.848 0.634 1.00 0.48 H new ATOM 0 HB3 LEU B 56 0.127 -5.372 0.659 1.00 0.48 H new ATOM 0 HG LEU B 56 2.059 -4.040 1.167 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.270 -5.053 1.474 1.00 0.45 H new ATOM 0 HD12 LEU B 56 3.127 -5.592 2.727 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.541 -6.674 1.375 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.454 -4.513 -0.785 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.712 -6.124 -0.926 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.723 -4.664 -1.167 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.133 -4.511 2.473 1.00 0.56 N ATOM 1836 CA ALA B 57 -1.927 -3.343 2.837 1.00 0.59 C ATOM 1837 C ALA B 57 -2.430 -3.398 4.276 1.00 0.68 C ATOM 1838 O ALA B 57 -2.894 -2.393 4.821 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.080 -3.202 1.863 1.00 0.55 C ATOM 0 H ALA B 57 -1.488 -5.010 1.657 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.283 -2.466 2.777 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.677 -2.330 2.130 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.690 -3.079 0.853 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.703 -4.095 1.905 1.00 0.55 H new