USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN : amide:sc= -1.92! C(o=-2.4!,f=-4.9!) USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.467 K(o=-2.4,f=-1.7) USER MOD Set 2.1: A 14 THR OG1 : rot 37:sc= 0.89 USER MOD Set 2.2: A 19 THR OG1 : rot 99:sc= -0.324 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.322 (180deg=-1.32!) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.011 (180deg=-0.263) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0842 K(o=-0.084,f=-1) USER MOD Single : A 23 GLN : amide:sc= 0.367 K(o=0.37,f=-4.4!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 26 GLN : amide:sc= 0.157 K(o=0.16,f=-2.6!) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.421 USER MOD Single : A 32 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.011) USER MOD Single : A 34 THR OG1 : rot -23:sc= 0.707 USER MOD Single : A 40 ASN : amide:sc= -0.332 K(o=-0.33,f=-5.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.7) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 1.05 K(o=1.1,f=-9.2!) USER MOD Single : A 60 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0319) USER MOD Single : A 69 THR OG1 : rot 13:sc= 0.341 USER MOD Single : A 72 SER OG : rot -102:sc= 1.39 USER MOD Single : A 83 MET CE :methyl 139:sc= -0.735 (180deg=-1.21) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.0268 (180deg=-0.252) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.04) USER MOD Single : A 112 HIS : no HE2:sc= -1.27! C(o=-1.3!,f=-2.3!) USER MOD Single : A 113 CYS SG : rot 59:sc= 1.08 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.619 -0.866 18.396 1.00 61.33 N ATOM 2 CA MET A 1 -14.345 -0.130 18.260 1.00 62.43 C ATOM 3 C MET A 1 -13.944 -0.027 16.795 1.00 43.32 C ATOM 4 O MET A 1 -14.338 -0.852 15.970 1.00 20.54 O ATOM 5 CB MET A 1 -13.232 -0.803 19.083 1.00 70.25 C ATOM 6 CG MET A 1 -12.876 -2.220 18.645 1.00 74.10 C ATOM 7 SD MET A 1 -11.755 -2.267 17.231 1.00 64.42 S ATOM 8 CE MET A 1 -10.335 -1.391 17.889 1.00 12.52 C ATOM 0 H1 MET A 1 -15.509 -1.624 19.100 1.00 61.33 H new ATOM 0 H2 MET A 1 -16.366 -0.212 18.705 1.00 61.33 H new ATOM 0 H3 MET A 1 -15.880 -1.281 17.479 1.00 61.33 H new ATOM 0 HA MET A 1 -14.489 0.878 18.650 1.00 62.43 H new ATOM 0 HB2 MET A 1 -12.336 -0.185 19.028 1.00 70.25 H new ATOM 0 HB3 MET A 1 -13.538 -0.828 20.129 1.00 70.25 H new ATOM 0 HG2 MET A 1 -12.418 -2.747 19.481 1.00 74.10 H new ATOM 0 HG3 MET A 1 -13.791 -2.756 18.393 1.00 74.10 H new ATOM 0 HE1 MET A 1 -9.420 -1.836 17.499 1.00 12.52 H new ATOM 0 HE2 MET A 1 -10.384 -0.343 17.592 1.00 12.52 H new ATOM 0 HE3 MET A 1 -10.337 -1.460 18.977 1.00 12.52 H new ATOM 20 N VAL A 2 -13.180 1.001 16.482 1.00 11.11 N ATOM 21 CA VAL A 2 -12.659 1.201 15.141 1.00 2.13 C ATOM 22 C VAL A 2 -11.248 1.777 15.219 1.00 45.33 C ATOM 23 O VAL A 2 -10.405 1.516 14.363 1.00 72.11 O ATOM 24 CB VAL A 2 -13.579 2.131 14.308 1.00 15.20 C ATOM 25 CG1 VAL A 2 -13.716 3.504 14.953 1.00 13.31 C ATOM 26 CG2 VAL A 2 -13.073 2.258 12.877 1.00 22.40 C ATOM 0 H VAL A 2 -12.902 1.722 17.148 1.00 11.11 H new ATOM 0 HA VAL A 2 -12.628 0.235 14.638 1.00 2.13 H new ATOM 0 HB VAL A 2 -14.569 1.675 14.283 1.00 15.20 H new ATOM 0 HG11 VAL A 2 -14.367 4.129 14.343 1.00 13.31 H new ATOM 0 HG12 VAL A 2 -14.145 3.397 15.949 1.00 13.31 H new ATOM 0 HG13 VAL A 2 -12.733 3.970 15.030 1.00 13.31 H new ATOM 0 HG21 VAL A 2 -13.735 2.915 12.314 1.00 22.40 H new ATOM 0 HG22 VAL A 2 -12.066 2.676 12.883 1.00 22.40 H new ATOM 0 HG23 VAL A 2 -13.055 1.274 12.409 1.00 22.40 H new ATOM 36 N LYS A 3 -10.988 2.540 16.274 1.00 43.40 N ATOM 37 CA LYS A 3 -9.681 3.134 16.482 1.00 73.44 C ATOM 38 C LYS A 3 -8.849 2.244 17.401 1.00 43.33 C ATOM 39 O LYS A 3 -9.315 1.823 18.460 1.00 44.23 O ATOM 40 CB LYS A 3 -9.831 4.548 17.067 1.00 10.12 C ATOM 41 CG LYS A 3 -10.512 4.587 18.429 1.00 5.13 C ATOM 42 CD LYS A 3 -11.101 5.957 18.738 1.00 42.23 C ATOM 43 CE LYS A 3 -10.046 7.049 18.724 1.00 13.22 C ATOM 44 NZ LYS A 3 -10.635 8.388 18.995 1.00 15.33 N ATOM 0 H LYS A 3 -11.671 2.760 16.999 1.00 43.40 H new ATOM 0 HA LYS A 3 -9.164 3.217 15.526 1.00 73.44 H new ATOM 0 HB2 LYS A 3 -8.843 5.001 17.153 1.00 10.12 H new ATOM 0 HB3 LYS A 3 -10.402 5.160 16.369 1.00 10.12 H new ATOM 0 HG2 LYS A 3 -11.303 3.838 18.459 1.00 5.13 H new ATOM 0 HG3 LYS A 3 -9.791 4.321 19.202 1.00 5.13 H new ATOM 0 HD2 LYS A 3 -11.875 6.192 18.007 1.00 42.23 H new ATOM 0 HD3 LYS A 3 -11.583 5.932 19.715 1.00 42.23 H new ATOM 0 HE2 LYS A 3 -9.284 6.829 19.472 1.00 13.22 H new ATOM 0 HE3 LYS A 3 -9.547 7.060 17.755 1.00 13.22 H new ATOM 0 HZ1 LYS A 3 -9.884 9.108 18.977 1.00 15.33 H new ATOM 0 HZ2 LYS A 3 -11.344 8.609 18.267 1.00 15.33 H new ATOM 0 HZ3 LYS A 3 -11.089 8.385 19.931 1.00 15.33 H new ATOM 58 N LEU A 4 -7.636 1.926 16.975 1.00 15.34 N ATOM 59 CA LEU A 4 -6.747 1.105 17.784 1.00 30.41 C ATOM 60 C LEU A 4 -6.323 1.869 19.026 1.00 74.11 C ATOM 61 O LEU A 4 -5.825 2.993 18.936 1.00 44.44 O ATOM 62 CB LEU A 4 -5.519 0.651 16.985 1.00 0.13 C ATOM 63 CG LEU A 4 -5.769 -0.471 15.971 1.00 1.40 C ATOM 64 CD1 LEU A 4 -6.626 0.014 14.811 1.00 73.03 C ATOM 65 CD2 LEU A 4 -4.446 -1.022 15.466 1.00 64.22 C ATOM 0 H LEU A 4 -7.246 2.221 16.080 1.00 15.34 H new ATOM 0 HA LEU A 4 -7.292 0.210 18.084 1.00 30.41 H new ATOM 0 HB2 LEU A 4 -5.114 1.513 16.455 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -4.753 0.319 17.686 1.00 0.13 H new ATOM 0 HG LEU A 4 -6.315 -1.269 16.474 1.00 1.40 H new ATOM 0 HD11 LEU A 4 -6.785 -0.805 14.109 1.00 73.03 H new ATOM 0 HD12 LEU A 4 -7.588 0.360 15.189 1.00 73.03 H new ATOM 0 HD13 LEU A 4 -6.119 0.834 14.302 1.00 73.03 H new ATOM 0 HD21 LEU A 4 -4.635 -1.819 14.746 1.00 64.22 H new ATOM 0 HD22 LEU A 4 -3.880 -0.225 14.985 1.00 64.22 H new ATOM 0 HD23 LEU A 4 -3.873 -1.419 16.304 1.00 64.22 H new ATOM 77 N ALA A 5 -6.542 1.263 20.182 1.00 4.40 N ATOM 78 CA ALA A 5 -6.283 1.919 21.449 1.00 50.31 C ATOM 79 C ALA A 5 -4.795 1.963 21.764 1.00 63.22 C ATOM 80 O ALA A 5 -4.245 1.040 22.364 1.00 34.43 O ATOM 81 CB ALA A 5 -7.049 1.235 22.570 1.00 72.45 C ATOM 0 H ALA A 5 -6.901 0.312 20.266 1.00 4.40 H new ATOM 0 HA ALA A 5 -6.631 2.949 21.366 1.00 50.31 H new ATOM 0 HB1 ALA A 5 -6.842 1.741 23.513 1.00 72.45 H new ATOM 0 HB2 ALA A 5 -8.118 1.280 22.361 1.00 72.45 H new ATOM 0 HB3 ALA A 5 -6.737 0.193 22.641 1.00 72.45 H new ATOM 87 N PHE A 6 -4.144 3.021 21.311 1.00 61.45 N ATOM 88 CA PHE A 6 -2.771 3.288 21.689 1.00 63.33 C ATOM 89 C PHE A 6 -2.756 4.042 23.005 1.00 64.40 C ATOM 90 O PHE A 6 -3.387 5.093 23.127 1.00 64.33 O ATOM 91 CB PHE A 6 -2.045 4.088 20.603 1.00 43.41 C ATOM 92 CG PHE A 6 -1.485 3.234 19.503 1.00 50.42 C ATOM 93 CD1 PHE A 6 -2.306 2.717 18.515 1.00 52.50 C ATOM 94 CD2 PHE A 6 -0.129 2.948 19.459 1.00 23.12 C ATOM 95 CE1 PHE A 6 -1.786 1.929 17.505 1.00 32.25 C ATOM 96 CE2 PHE A 6 0.396 2.162 18.452 1.00 10.04 C ATOM 97 CZ PHE A 6 -0.433 1.651 17.475 1.00 11.50 C ATOM 0 H PHE A 6 -4.549 3.711 20.678 1.00 61.45 H new ATOM 0 HA PHE A 6 -2.245 2.341 21.805 1.00 63.33 H new ATOM 0 HB2 PHE A 6 -2.737 4.813 20.173 1.00 43.41 H new ATOM 0 HB3 PHE A 6 -1.234 4.654 21.061 1.00 43.41 H new ATOM 0 HD1 PHE A 6 -3.364 2.932 18.534 1.00 52.50 H new ATOM 0 HD2 PHE A 6 0.525 3.345 20.222 1.00 23.12 H new ATOM 0 HE1 PHE A 6 -2.437 1.531 16.740 1.00 32.25 H new ATOM 0 HE2 PHE A 6 1.454 1.948 18.429 1.00 10.04 H new ATOM 0 HZ PHE A 6 -0.025 1.034 16.688 1.00 11.50 H new ATOM 107 N PRO A 7 -2.058 3.493 24.011 1.00 54.02 N ATOM 108 CA PRO A 7 -2.005 4.069 25.356 1.00 3.24 C ATOM 109 C PRO A 7 -1.655 5.551 25.348 1.00 35.01 C ATOM 110 O PRO A 7 -0.525 5.933 25.035 1.00 51.42 O ATOM 111 CB PRO A 7 -0.909 3.257 26.047 1.00 63.11 C ATOM 112 CG PRO A 7 -0.924 1.946 25.344 1.00 23.21 C ATOM 113 CD PRO A 7 -1.265 2.254 23.913 1.00 63.43 C ATOM 0 HA PRO A 7 -2.972 4.017 25.857 1.00 3.24 H new ATOM 0 HB2 PRO A 7 0.062 3.744 25.959 1.00 63.11 H new ATOM 0 HB3 PRO A 7 -1.112 3.140 27.112 1.00 63.11 H new ATOM 0 HG2 PRO A 7 0.045 1.451 25.418 1.00 23.21 H new ATOM 0 HG3 PRO A 7 -1.660 1.274 25.786 1.00 23.21 H new ATOM 0 HD2 PRO A 7 -0.370 2.397 23.308 1.00 63.43 H new ATOM 0 HD3 PRO A 7 -1.835 1.447 23.453 1.00 63.43 H new ATOM 121 N ARG A 8 -2.637 6.374 25.711 1.00 5.33 N ATOM 122 CA ARG A 8 -2.468 7.824 25.763 1.00 74.44 C ATOM 123 C ARG A 8 -1.500 8.196 26.878 1.00 4.41 C ATOM 124 O ARG A 8 -1.067 9.342 26.997 1.00 75.30 O ATOM 125 CB ARG A 8 -3.824 8.496 25.983 1.00 3.41 C ATOM 126 CG ARG A 8 -4.850 8.114 24.931 1.00 4.32 C ATOM 127 CD ARG A 8 -6.252 8.564 25.313 1.00 41.12 C ATOM 128 NE ARG A 8 -6.418 10.014 25.240 1.00 33.45 N ATOM 129 CZ ARG A 8 -7.538 10.607 24.834 1.00 51.34 C ATOM 130 NH1 ARG A 8 -8.595 9.881 24.485 1.00 63.20 N ATOM 131 NH2 ARG A 8 -7.610 11.929 24.782 1.00 23.31 N ATOM 0 H ARG A 8 -3.569 6.055 25.976 1.00 5.33 H new ATOM 0 HA ARG A 8 -2.055 8.172 24.816 1.00 74.44 H new ATOM 0 HB2 ARG A 8 -4.203 8.224 26.968 1.00 3.41 H new ATOM 0 HB3 ARG A 8 -3.693 9.578 25.979 1.00 3.41 H new ATOM 0 HG2 ARG A 8 -4.574 8.561 23.976 1.00 4.32 H new ATOM 0 HG3 ARG A 8 -4.841 7.033 24.792 1.00 4.32 H new ATOM 0 HD2 ARG A 8 -6.975 8.086 24.652 1.00 41.12 H new ATOM 0 HD3 ARG A 8 -6.474 8.227 26.326 1.00 41.12 H new ATOM 0 HE ARG A 8 -5.633 10.604 25.515 1.00 33.45 H new ATOM 0 HH11 ARG A 8 -8.551 8.863 24.527 1.00 63.20 H new ATOM 0 HH12 ARG A 8 -9.450 10.342 24.175 1.00 63.20 H new ATOM 0 HH21 ARG A 8 -6.806 12.495 25.054 1.00 23.31 H new ATOM 0 HH22 ARG A 8 -8.470 12.381 24.470 1.00 23.31 H new ATOM 145 N GLU A 9 -1.194 7.206 27.704 1.00 31.23 N ATOM 146 CA GLU A 9 -0.164 7.323 28.721 1.00 33.23 C ATOM 147 C GLU A 9 1.193 7.515 28.044 1.00 22.30 C ATOM 148 O GLU A 9 2.020 8.313 28.485 1.00 21.51 O ATOM 149 CB GLU A 9 -0.184 6.055 29.590 1.00 61.44 C ATOM 150 CG GLU A 9 0.720 6.087 30.817 1.00 42.22 C ATOM 151 CD GLU A 9 2.186 5.901 30.487 1.00 53.10 C ATOM 152 OE1 GLU A 9 2.518 4.963 29.739 1.00 33.32 O ATOM 153 OE2 GLU A 9 3.016 6.688 30.990 1.00 14.01 O ATOM 0 H GLU A 9 -1.656 6.297 27.686 1.00 31.23 H new ATOM 0 HA GLU A 9 -0.347 8.186 29.361 1.00 33.23 H new ATOM 0 HB2 GLU A 9 -1.208 5.877 29.919 1.00 61.44 H new ATOM 0 HB3 GLU A 9 0.104 5.206 28.970 1.00 61.44 H new ATOM 0 HG2 GLU A 9 0.589 7.039 31.331 1.00 42.22 H new ATOM 0 HG3 GLU A 9 0.409 5.305 31.509 1.00 42.22 H new ATOM 160 N LEU A 10 1.396 6.795 26.949 1.00 12.23 N ATOM 161 CA LEU A 10 2.638 6.867 26.202 1.00 23.30 C ATOM 162 C LEU A 10 2.548 7.965 25.150 1.00 33.23 C ATOM 163 O LEU A 10 3.213 8.995 25.253 1.00 33.43 O ATOM 164 CB LEU A 10 2.932 5.518 25.538 1.00 72.43 C ATOM 165 CG LEU A 10 4.255 5.435 24.775 1.00 13.13 C ATOM 166 CD1 LEU A 10 5.428 5.591 25.726 1.00 63.23 C ATOM 167 CD2 LEU A 10 4.351 4.119 24.020 1.00 11.31 C ATOM 0 H LEU A 10 0.709 6.150 26.558 1.00 12.23 H new ATOM 0 HA LEU A 10 3.452 7.103 26.888 1.00 23.30 H new ATOM 0 HB2 LEU A 10 2.927 4.745 26.307 1.00 72.43 H new ATOM 0 HB3 LEU A 10 2.120 5.287 24.849 1.00 72.43 H new ATOM 0 HG LEU A 10 4.289 6.250 24.052 1.00 13.13 H new ATOM 0 HD11 LEU A 10 6.361 5.529 25.166 1.00 63.23 H new ATOM 0 HD12 LEU A 10 5.367 6.559 26.224 1.00 63.23 H new ATOM 0 HD13 LEU A 10 5.400 4.797 26.472 1.00 63.23 H new ATOM 0 HD21 LEU A 10 5.298 4.076 23.483 1.00 11.31 H new ATOM 0 HD22 LEU A 10 4.296 3.290 24.726 1.00 11.31 H new ATOM 0 HD23 LEU A 10 3.527 4.046 23.310 1.00 11.31 H new ATOM 179 N ARG A 11 1.712 7.741 24.145 1.00 33.41 N ATOM 180 CA ARG A 11 1.507 8.711 23.080 1.00 23.02 C ATOM 181 C ARG A 11 0.044 8.729 22.678 1.00 23.21 C ATOM 182 O ARG A 11 -0.621 7.693 22.677 1.00 14.42 O ATOM 183 CB ARG A 11 2.374 8.396 21.852 1.00 14.24 C ATOM 184 CG ARG A 11 3.871 8.456 22.113 1.00 31.43 C ATOM 185 CD ARG A 11 4.677 8.446 20.822 1.00 50.02 C ATOM 186 NE ARG A 11 4.465 7.233 20.032 1.00 71.52 N ATOM 187 CZ ARG A 11 5.408 6.313 19.811 1.00 32.43 C ATOM 188 NH1 ARG A 11 6.610 6.433 20.360 1.00 13.10 N ATOM 189 NH2 ARG A 11 5.149 5.269 19.038 1.00 21.44 N ATOM 0 H ARG A 11 1.161 6.888 24.046 1.00 33.41 H new ATOM 0 HA ARG A 11 1.802 9.690 23.459 1.00 23.02 H new ATOM 0 HB2 ARG A 11 2.120 7.401 21.488 1.00 14.24 H new ATOM 0 HB3 ARG A 11 2.127 9.099 21.057 1.00 14.24 H new ATOM 0 HG2 ARG A 11 4.104 9.358 22.679 1.00 31.43 H new ATOM 0 HG3 ARG A 11 4.165 7.607 22.731 1.00 31.43 H new ATOM 0 HD2 ARG A 11 4.407 9.316 20.223 1.00 50.02 H new ATOM 0 HD3 ARG A 11 5.737 8.539 21.060 1.00 50.02 H new ATOM 0 HE ARG A 11 3.542 7.081 19.626 1.00 71.52 H new ATOM 0 HH11 ARG A 11 6.821 7.233 20.957 1.00 13.10 H new ATOM 0 HH12 ARG A 11 7.323 5.725 20.185 1.00 13.10 H new ATOM 0 HH21 ARG A 11 4.229 5.167 18.611 1.00 21.44 H new ATOM 0 HH22 ARG A 11 5.870 4.567 18.870 1.00 21.44 H new ATOM 203 N LEU A 12 -0.454 9.903 22.342 1.00 11.22 N ATOM 204 CA LEU A 12 -1.838 10.046 21.926 1.00 54.13 C ATOM 205 C LEU A 12 -1.982 9.631 20.470 1.00 0.13 C ATOM 206 O LEU A 12 -1.206 10.065 19.614 1.00 25.21 O ATOM 207 CB LEU A 12 -2.330 11.491 22.111 1.00 50.25 C ATOM 208 CG LEU A 12 -2.584 11.939 23.558 1.00 75.11 C ATOM 209 CD1 LEU A 12 -1.288 12.034 24.350 1.00 43.12 C ATOM 210 CD2 LEU A 12 -3.317 13.271 23.577 1.00 74.33 C ATOM 0 H LEU A 12 0.078 10.773 22.349 1.00 11.22 H new ATOM 0 HA LEU A 12 -2.451 9.399 22.553 1.00 54.13 H new ATOM 0 HB2 LEU A 12 -1.595 12.163 21.668 1.00 50.25 H new ATOM 0 HB3 LEU A 12 -3.255 11.613 21.547 1.00 50.25 H new ATOM 0 HG LEU A 12 -3.208 11.184 24.036 1.00 75.11 H new ATOM 0 HD11 LEU A 12 -1.507 12.354 25.369 1.00 43.12 H new ATOM 0 HD12 LEU A 12 -0.803 11.058 24.372 1.00 43.12 H new ATOM 0 HD13 LEU A 12 -0.625 12.758 23.877 1.00 43.12 H new ATOM 0 HD21 LEU A 12 -3.490 13.576 24.609 1.00 74.33 H new ATOM 0 HD22 LEU A 12 -2.714 14.025 23.072 1.00 74.33 H new ATOM 0 HD23 LEU A 12 -4.273 13.168 23.064 1.00 74.33 H new ATOM 222 N LEU A 13 -2.956 8.770 20.203 1.00 23.11 N ATOM 223 CA LEU A 13 -3.221 8.306 18.848 1.00 70.24 C ATOM 224 C LEU A 13 -3.645 9.465 17.950 1.00 52.02 C ATOM 225 O LEU A 13 -4.135 10.489 18.427 1.00 62.30 O ATOM 226 CB LEU A 13 -4.281 7.191 18.865 1.00 61.23 C ATOM 227 CG LEU A 13 -5.546 7.471 19.694 1.00 31.05 C ATOM 228 CD1 LEU A 13 -6.507 8.384 18.945 1.00 63.53 C ATOM 229 CD2 LEU A 13 -6.234 6.166 20.070 1.00 22.11 C ATOM 0 H LEU A 13 -3.577 8.378 20.910 1.00 23.11 H new ATOM 0 HA LEU A 13 -2.301 7.892 18.434 1.00 70.24 H new ATOM 0 HB2 LEU A 13 -4.582 6.989 17.837 1.00 61.23 H new ATOM 0 HB3 LEU A 13 -3.816 6.282 19.246 1.00 61.23 H new ATOM 0 HG LEU A 13 -5.242 7.983 20.607 1.00 31.05 H new ATOM 0 HD11 LEU A 13 -7.391 8.563 19.557 1.00 63.53 H new ATOM 0 HD12 LEU A 13 -6.015 9.333 18.732 1.00 63.53 H new ATOM 0 HD13 LEU A 13 -6.804 7.911 18.009 1.00 63.53 H new ATOM 0 HD21 LEU A 13 -7.127 6.381 20.656 1.00 22.11 H new ATOM 0 HD22 LEU A 13 -6.515 5.629 19.164 1.00 22.11 H new ATOM 0 HD23 LEU A 13 -5.553 5.552 20.659 1.00 22.11 H new ATOM 241 N THR A 14 -3.455 9.303 16.653 1.00 11.50 N ATOM 242 CA THR A 14 -3.747 10.364 15.712 1.00 35.45 C ATOM 243 C THR A 14 -4.876 9.966 14.768 1.00 55.32 C ATOM 244 O THR A 14 -4.949 8.822 14.329 1.00 53.44 O ATOM 245 CB THR A 14 -2.490 10.744 14.901 1.00 71.44 C ATOM 246 OG1 THR A 14 -1.773 9.561 14.515 1.00 53.51 O ATOM 247 CG2 THR A 14 -1.577 11.657 15.707 1.00 20.04 C ATOM 0 H THR A 14 -3.100 8.446 16.229 1.00 11.50 H new ATOM 0 HA THR A 14 -4.067 11.233 16.287 1.00 35.45 H new ATOM 0 HB THR A 14 -2.813 11.278 14.008 1.00 71.44 H new ATOM 0 HG1 THR A 14 -2.410 8.848 14.300 1.00 53.51 H new ATOM 0 HG21 THR A 14 -0.699 11.910 15.113 1.00 20.04 H new ATOM 0 HG22 THR A 14 -2.113 12.569 15.968 1.00 20.04 H new ATOM 0 HG23 THR A 14 -1.264 11.147 16.618 1.00 20.04 H new ATOM 255 N PRO A 15 -5.783 10.909 14.456 1.00 31.35 N ATOM 256 CA PRO A 15 -6.897 10.674 13.528 1.00 52.13 C ATOM 257 C PRO A 15 -6.416 10.506 12.087 1.00 74.33 C ATOM 258 O PRO A 15 -7.206 10.253 11.173 1.00 2.34 O ATOM 259 CB PRO A 15 -7.759 11.939 13.657 1.00 73.13 C ATOM 260 CG PRO A 15 -7.259 12.638 14.879 1.00 72.02 C ATOM 261 CD PRO A 15 -5.811 12.272 14.999 1.00 54.11 C ATOM 0 HA PRO A 15 -7.435 9.756 13.766 1.00 52.13 H new ATOM 0 HB2 PRO A 15 -7.662 12.572 12.775 1.00 73.13 H new ATOM 0 HB3 PRO A 15 -8.815 11.687 13.753 1.00 73.13 H new ATOM 0 HG2 PRO A 15 -7.383 13.717 14.790 1.00 72.02 H new ATOM 0 HG3 PRO A 15 -7.815 12.325 15.763 1.00 72.02 H new ATOM 0 HD2 PRO A 15 -5.173 12.949 14.431 1.00 54.11 H new ATOM 0 HD3 PRO A 15 -5.468 12.304 16.033 1.00 54.11 H new ATOM 269 N SER A 16 -5.118 10.662 11.896 1.00 44.13 N ATOM 270 CA SER A 16 -4.505 10.495 10.596 1.00 71.11 C ATOM 271 C SER A 16 -4.015 9.059 10.429 1.00 52.42 C ATOM 272 O SER A 16 -3.104 8.622 11.134 1.00 12.41 O ATOM 273 CB SER A 16 -3.337 11.470 10.447 1.00 54.41 C ATOM 274 OG SER A 16 -3.750 12.800 10.719 1.00 74.11 O ATOM 0 H SER A 16 -4.463 10.908 12.638 1.00 44.13 H new ATOM 0 HA SER A 16 -5.244 10.705 9.823 1.00 71.11 H new ATOM 0 HB2 SER A 16 -2.534 11.188 11.128 1.00 54.41 H new ATOM 0 HB3 SER A 16 -2.934 11.410 9.436 1.00 54.41 H new ATOM 0 HG SER A 16 -2.987 13.406 10.619 1.00 74.11 H new ATOM 280 N GLN A 17 -4.620 8.328 9.499 1.00 42.11 N ATOM 281 CA GLN A 17 -4.242 6.938 9.260 1.00 53.24 C ATOM 282 C GLN A 17 -2.815 6.837 8.727 1.00 61.20 C ATOM 283 O GLN A 17 -2.160 5.806 8.875 1.00 10.13 O ATOM 284 CB GLN A 17 -5.247 6.254 8.317 1.00 41.22 C ATOM 285 CG GLN A 17 -5.725 7.114 7.149 1.00 30.23 C ATOM 286 CD GLN A 17 -4.707 7.261 6.035 1.00 10.42 C ATOM 287 OE1 GLN A 17 -3.898 6.368 5.787 1.00 12.01 O ATOM 288 NE2 GLN A 17 -4.742 8.393 5.353 1.00 55.33 N ATOM 0 H GLN A 17 -5.371 8.672 8.900 1.00 42.11 H new ATOM 0 HA GLN A 17 -4.269 6.411 10.214 1.00 53.24 H new ATOM 0 HB2 GLN A 17 -4.790 5.348 7.918 1.00 41.22 H new ATOM 0 HB3 GLN A 17 -6.115 5.943 8.899 1.00 41.22 H new ATOM 0 HG2 GLN A 17 -6.636 6.678 6.739 1.00 30.23 H new ATOM 0 HG3 GLN A 17 -5.985 8.104 7.523 1.00 30.23 H new ATOM 0 HE21 GLN A 17 -5.428 9.110 5.589 1.00 55.33 H new ATOM 0 HE22 GLN A 17 -4.083 8.550 4.591 1.00 55.33 H new ATOM 297 N PHE A 18 -2.329 7.926 8.139 1.00 4.51 N ATOM 298 CA PHE A 18 -0.964 7.978 7.633 1.00 2.13 C ATOM 299 C PHE A 18 0.040 7.852 8.776 1.00 42.43 C ATOM 300 O PHE A 18 1.026 7.128 8.673 1.00 33.34 O ATOM 301 CB PHE A 18 -0.729 9.286 6.863 1.00 44.44 C ATOM 302 CG PHE A 18 0.681 9.452 6.363 1.00 63.35 C ATOM 303 CD1 PHE A 18 1.118 8.769 5.240 1.00 64.05 C ATOM 304 CD2 PHE A 18 1.569 10.289 7.022 1.00 74.02 C ATOM 305 CE1 PHE A 18 2.413 8.917 4.781 1.00 62.40 C ATOM 306 CE2 PHE A 18 2.867 10.439 6.569 1.00 33.35 C ATOM 307 CZ PHE A 18 3.290 9.753 5.447 1.00 73.24 C ATOM 0 H PHE A 18 -2.862 8.785 8.002 1.00 4.51 H new ATOM 0 HA PHE A 18 -0.819 7.139 6.952 1.00 2.13 H new ATOM 0 HB2 PHE A 18 -1.412 9.325 6.015 1.00 44.44 H new ATOM 0 HB3 PHE A 18 -0.976 10.127 7.510 1.00 44.44 H new ATOM 0 HD1 PHE A 18 0.438 8.113 4.717 1.00 64.05 H new ATOM 0 HD2 PHE A 18 1.243 10.830 7.898 1.00 74.02 H new ATOM 0 HE1 PHE A 18 2.740 8.380 3.903 1.00 62.40 H new ATOM 0 HE2 PHE A 18 3.550 11.092 7.092 1.00 33.35 H new ATOM 0 HZ PHE A 18 4.303 9.869 5.091 1.00 73.24 H new ATOM 317 N THR A 19 -0.225 8.548 9.873 1.00 22.34 N ATOM 318 CA THR A 19 0.674 8.531 11.017 1.00 50.51 C ATOM 319 C THR A 19 0.361 7.364 11.943 1.00 3.54 C ATOM 320 O THR A 19 1.180 6.988 12.784 1.00 15.55 O ATOM 321 CB THR A 19 0.593 9.851 11.804 1.00 13.33 C ATOM 322 OG1 THR A 19 -0.778 10.235 11.972 1.00 22.03 O ATOM 323 CG2 THR A 19 1.354 10.957 11.088 1.00 51.34 C ATOM 0 H THR A 19 -1.054 9.130 9.994 1.00 22.34 H new ATOM 0 HA THR A 19 1.687 8.412 10.632 1.00 50.51 H new ATOM 0 HB THR A 19 1.049 9.696 12.782 1.00 13.33 H new ATOM 0 HG1 THR A 19 -1.086 9.966 12.862 1.00 22.03 H new ATOM 0 HG21 THR A 19 1.282 11.880 11.664 1.00 51.34 H new ATOM 0 HG22 THR A 19 2.401 10.672 10.988 1.00 51.34 H new ATOM 0 HG23 THR A 19 0.924 11.112 10.098 1.00 51.34 H new ATOM 331 N PHE A 20 -0.827 6.794 11.777 1.00 10.10 N ATOM 332 CA PHE A 20 -1.258 5.670 12.594 1.00 12.02 C ATOM 333 C PHE A 20 -0.390 4.446 12.302 1.00 40.53 C ATOM 334 O PHE A 20 0.157 3.825 13.213 1.00 33.32 O ATOM 335 CB PHE A 20 -2.731 5.349 12.320 1.00 63.53 C ATOM 336 CG PHE A 20 -3.506 4.958 13.547 1.00 13.23 C ATOM 337 CD1 PHE A 20 -3.230 3.778 14.216 1.00 43.12 C ATOM 338 CD2 PHE A 20 -4.512 5.777 14.031 1.00 72.43 C ATOM 339 CE1 PHE A 20 -3.945 3.422 15.344 1.00 33.25 C ATOM 340 CE2 PHE A 20 -5.229 5.428 15.158 1.00 71.11 C ATOM 341 CZ PHE A 20 -4.946 4.249 15.816 1.00 4.32 C ATOM 0 H PHE A 20 -1.510 7.094 11.081 1.00 10.10 H new ATOM 0 HA PHE A 20 -1.148 5.938 13.645 1.00 12.02 H new ATOM 0 HB2 PHE A 20 -3.204 6.219 11.865 1.00 63.53 H new ATOM 0 HB3 PHE A 20 -2.787 4.539 11.593 1.00 63.53 H new ATOM 0 HD1 PHE A 20 -2.447 3.128 13.853 1.00 43.12 H new ATOM 0 HD2 PHE A 20 -4.739 6.701 13.520 1.00 72.43 H new ATOM 0 HE1 PHE A 20 -3.721 2.498 15.856 1.00 33.25 H new ATOM 0 HE2 PHE A 20 -6.011 6.077 15.524 1.00 71.11 H new ATOM 0 HZ PHE A 20 -5.505 3.973 16.698 1.00 4.32 H new ATOM 351 N VAL A 21 -0.246 4.122 11.021 1.00 52.42 N ATOM 352 CA VAL A 21 0.580 2.991 10.608 1.00 64.41 C ATOM 353 C VAL A 21 2.058 3.366 10.616 1.00 23.32 C ATOM 354 O VAL A 21 2.929 2.506 10.479 1.00 21.31 O ATOM 355 CB VAL A 21 0.197 2.481 9.201 1.00 61.22 C ATOM 356 CG1 VAL A 21 -1.225 1.949 9.194 1.00 51.42 C ATOM 357 CG2 VAL A 21 0.368 3.576 8.155 1.00 32.43 C ATOM 0 H VAL A 21 -0.689 4.625 10.252 1.00 52.42 H new ATOM 0 HA VAL A 21 0.400 2.193 11.328 1.00 64.41 H new ATOM 0 HB VAL A 21 0.871 1.664 8.944 1.00 61.22 H new ATOM 0 HG11 VAL A 21 -1.476 1.595 8.194 1.00 51.42 H new ATOM 0 HG12 VAL A 21 -1.309 1.125 9.903 1.00 51.42 H new ATOM 0 HG13 VAL A 21 -1.913 2.745 9.480 1.00 51.42 H new ATOM 0 HG21 VAL A 21 0.091 3.189 7.174 1.00 32.43 H new ATOM 0 HG22 VAL A 21 -0.273 4.422 8.405 1.00 32.43 H new ATOM 0 HG23 VAL A 21 1.408 3.902 8.136 1.00 32.43 H new ATOM 367 N PHE A 22 2.332 4.651 10.797 1.00 73.00 N ATOM 368 CA PHE A 22 3.695 5.158 10.766 1.00 12.43 C ATOM 369 C PHE A 22 4.353 5.003 12.137 1.00 21.02 C ATOM 370 O PHE A 22 5.512 5.366 12.325 1.00 41.34 O ATOM 371 CB PHE A 22 3.702 6.627 10.325 1.00 1.53 C ATOM 372 CG PHE A 22 5.025 7.105 9.790 1.00 34.04 C ATOM 373 CD1 PHE A 22 5.444 6.731 8.523 1.00 71.34 C ATOM 374 CD2 PHE A 22 5.843 7.931 10.545 1.00 1.35 C ATOM 375 CE1 PHE A 22 6.655 7.167 8.020 1.00 65.12 C ATOM 376 CE2 PHE A 22 7.056 8.371 10.047 1.00 50.11 C ATOM 377 CZ PHE A 22 7.463 7.989 8.783 1.00 24.31 C ATOM 0 H PHE A 22 1.623 5.364 10.968 1.00 73.00 H new ATOM 0 HA PHE A 22 4.269 4.577 10.044 1.00 12.43 H new ATOM 0 HB2 PHE A 22 2.940 6.768 9.558 1.00 1.53 H new ATOM 0 HB3 PHE A 22 3.419 7.251 11.173 1.00 1.53 H new ATOM 0 HD1 PHE A 22 4.816 6.091 7.921 1.00 71.34 H new ATOM 0 HD2 PHE A 22 5.530 8.234 11.533 1.00 1.35 H new ATOM 0 HE1 PHE A 22 6.970 6.866 7.032 1.00 65.12 H new ATOM 0 HE2 PHE A 22 7.685 9.013 10.646 1.00 50.11 H new ATOM 0 HZ PHE A 22 8.410 8.332 8.392 1.00 24.31 H new ATOM 387 N GLN A 23 3.598 4.467 13.095 1.00 41.43 N ATOM 388 CA GLN A 23 4.145 4.155 14.413 1.00 30.51 C ATOM 389 C GLN A 23 5.237 3.101 14.283 1.00 4.43 C ATOM 390 O GLN A 23 6.264 3.159 14.960 1.00 52.15 O ATOM 391 CB GLN A 23 3.045 3.651 15.355 1.00 24.41 C ATOM 392 CG GLN A 23 2.018 4.709 15.725 1.00 4.40 C ATOM 393 CD GLN A 23 2.644 5.889 16.438 1.00 61.12 C ATOM 394 OE1 GLN A 23 2.772 5.895 17.663 1.00 25.41 O ATOM 395 NE2 GLN A 23 3.028 6.902 15.679 1.00 23.43 N ATOM 0 H GLN A 23 2.610 4.241 12.983 1.00 41.43 H new ATOM 0 HA GLN A 23 4.568 5.067 14.835 1.00 30.51 H new ATOM 0 HB2 GLN A 23 2.534 2.811 14.884 1.00 24.41 H new ATOM 0 HB3 GLN A 23 3.507 3.272 16.267 1.00 24.41 H new ATOM 0 HG2 GLN A 23 1.516 5.057 14.822 1.00 4.40 H new ATOM 0 HG3 GLN A 23 1.254 4.264 16.363 1.00 4.40 H new ATOM 0 HE21 GLN A 23 2.904 6.857 14.668 1.00 23.43 H new ATOM 0 HE22 GLN A 23 3.448 7.728 16.105 1.00 23.43 H new ATOM 404 N GLN A 24 5.000 2.146 13.397 1.00 54.12 N ATOM 405 CA GLN A 24 5.957 1.093 13.099 1.00 60.22 C ATOM 406 C GLN A 24 5.680 0.565 11.692 1.00 64.51 C ATOM 407 O GLN A 24 5.067 -0.487 11.518 1.00 43.55 O ATOM 408 CB GLN A 24 5.853 -0.032 14.136 1.00 35.51 C ATOM 409 CG GLN A 24 6.871 -1.145 13.949 1.00 61.50 C ATOM 410 CD GLN A 24 6.712 -2.248 14.976 1.00 34.04 C ATOM 411 OE1 GLN A 24 6.305 -2.001 16.111 1.00 62.14 O ATOM 412 NE2 GLN A 24 7.024 -3.471 14.585 1.00 5.33 N ATOM 0 H GLN A 24 4.134 2.080 12.862 1.00 54.12 H new ATOM 0 HA GLN A 24 6.971 1.490 13.143 1.00 60.22 H new ATOM 0 HB2 GLN A 24 5.975 0.394 15.132 1.00 35.51 H new ATOM 0 HB3 GLN A 24 4.851 -0.460 14.093 1.00 35.51 H new ATOM 0 HG2 GLN A 24 6.767 -1.565 12.949 1.00 61.50 H new ATOM 0 HG3 GLN A 24 7.877 -0.730 14.017 1.00 61.50 H new ATOM 0 HE21 GLN A 24 7.358 -3.633 13.635 1.00 5.33 H new ATOM 0 HE22 GLN A 24 6.931 -4.253 15.233 1.00 5.33 H new ATOM 421 N PRO A 25 6.106 1.313 10.667 1.00 33.14 N ATOM 422 CA PRO A 25 5.726 1.048 9.281 1.00 0.32 C ATOM 423 C PRO A 25 6.328 -0.236 8.720 1.00 54.15 C ATOM 424 O PRO A 25 7.549 -0.390 8.645 1.00 4.14 O ATOM 425 CB PRO A 25 6.256 2.265 8.510 1.00 44.25 C ATOM 426 CG PRO A 25 6.665 3.259 9.546 1.00 63.24 C ATOM 427 CD PRO A 25 7.003 2.469 10.773 1.00 21.22 C ATOM 0 HA PRO A 25 4.649 0.906 9.197 1.00 0.32 H new ATOM 0 HB2 PRO A 25 7.100 1.990 7.878 1.00 44.25 H new ATOM 0 HB3 PRO A 25 5.488 2.677 7.855 1.00 44.25 H new ATOM 0 HG2 PRO A 25 7.523 3.841 9.209 1.00 63.24 H new ATOM 0 HG3 PRO A 25 5.859 3.965 9.747 1.00 63.24 H new ATOM 0 HD2 PRO A 25 8.051 2.169 10.786 1.00 21.22 H new ATOM 0 HD3 PRO A 25 6.823 3.039 11.684 1.00 21.22 H new ATOM 435 N GLN A 26 5.457 -1.162 8.345 1.00 44.42 N ATOM 436 CA GLN A 26 5.876 -2.370 7.654 1.00 64.42 C ATOM 437 C GLN A 26 5.963 -2.096 6.162 1.00 52.44 C ATOM 438 O GLN A 26 4.978 -1.692 5.538 1.00 11.32 O ATOM 439 CB GLN A 26 4.899 -3.516 7.919 1.00 71.43 C ATOM 440 CG GLN A 26 4.935 -4.036 9.345 1.00 34.43 C ATOM 441 CD GLN A 26 3.965 -5.177 9.574 1.00 44.33 C ATOM 442 OE1 GLN A 26 4.223 -6.072 10.373 1.00 4.31 O ATOM 443 NE2 GLN A 26 2.828 -5.145 8.898 1.00 53.15 N ATOM 0 H GLN A 26 4.452 -1.098 8.509 1.00 44.42 H new ATOM 0 HA GLN A 26 6.856 -2.665 8.029 1.00 64.42 H new ATOM 0 HB2 GLN A 26 3.888 -3.179 7.691 1.00 71.43 H new ATOM 0 HB3 GLN A 26 5.123 -4.337 7.237 1.00 71.43 H new ATOM 0 HG2 GLN A 26 5.945 -4.370 9.580 1.00 34.43 H new ATOM 0 HG3 GLN A 26 4.701 -3.222 10.031 1.00 34.43 H new ATOM 0 HE21 GLN A 26 2.646 -4.386 8.242 1.00 53.15 H new ATOM 0 HE22 GLN A 26 2.133 -5.880 9.033 1.00 53.15 H new ATOM 452 N ARG A 27 7.141 -2.307 5.599 1.00 24.51 N ATOM 453 CA ARG A 27 7.374 -2.018 4.197 1.00 54.32 C ATOM 454 C ARG A 27 7.178 -3.274 3.355 1.00 53.52 C ATOM 455 O ARG A 27 8.050 -4.144 3.300 1.00 62.14 O ATOM 456 CB ARG A 27 8.786 -1.438 4.003 1.00 14.22 C ATOM 457 CG ARG A 27 9.080 -0.958 2.586 1.00 62.30 C ATOM 458 CD ARG A 27 9.654 -2.065 1.711 1.00 73.14 C ATOM 459 NE ARG A 27 11.036 -2.385 2.069 1.00 61.50 N ATOM 460 CZ ARG A 27 11.527 -3.619 2.154 1.00 24.15 C ATOM 461 NH1 ARG A 27 10.742 -4.675 1.978 1.00 54.32 N ATOM 462 NH2 ARG A 27 12.807 -3.794 2.435 1.00 55.35 N ATOM 0 H ARG A 27 7.952 -2.678 6.094 1.00 24.51 H new ATOM 0 HA ARG A 27 6.650 -1.274 3.865 1.00 54.32 H new ATOM 0 HB2 ARG A 27 8.921 -0.604 4.692 1.00 14.22 H new ATOM 0 HB3 ARG A 27 9.518 -2.198 4.276 1.00 14.22 H new ATOM 0 HG2 ARG A 27 8.163 -0.579 2.135 1.00 62.30 H new ATOM 0 HG3 ARG A 27 9.783 -0.126 2.625 1.00 62.30 H new ATOM 0 HD2 ARG A 27 9.038 -2.959 1.807 1.00 73.14 H new ATOM 0 HD3 ARG A 27 9.612 -1.760 0.666 1.00 73.14 H new ATOM 0 HE ARG A 27 11.667 -1.608 2.267 1.00 61.50 H new ATOM 0 HH11 ARG A 27 9.751 -4.545 1.775 1.00 54.32 H new ATOM 0 HH12 ARG A 27 11.130 -5.616 2.046 1.00 54.32 H new ATOM 0 HH21 ARG A 27 13.411 -2.986 2.585 1.00 55.35 H new ATOM 0 HH22 ARG A 27 13.190 -4.737 2.502 1.00 55.35 H new ATOM 476 N ALA A 28 6.021 -3.371 2.721 1.00 70.23 N ATOM 477 CA ALA A 28 5.743 -4.467 1.809 1.00 35.03 C ATOM 478 C ALA A 28 5.467 -3.922 0.419 1.00 72.05 C ATOM 479 O ALA A 28 4.367 -3.450 0.131 1.00 1.32 O ATOM 480 CB ALA A 28 4.574 -5.310 2.303 1.00 60.03 C ATOM 0 H ALA A 28 5.258 -2.702 2.822 1.00 70.23 H new ATOM 0 HA ALA A 28 6.619 -5.114 1.767 1.00 35.03 H new ATOM 0 HB1 ALA A 28 4.389 -6.123 1.600 1.00 60.03 H new ATOM 0 HB2 ALA A 28 4.813 -5.724 3.283 1.00 60.03 H new ATOM 0 HB3 ALA A 28 3.683 -4.687 2.380 1.00 60.03 H new ATOM 486 N GLY A 29 6.477 -3.969 -0.428 1.00 35.24 N ATOM 487 CA GLY A 29 6.350 -3.431 -1.763 1.00 23.32 C ATOM 488 C GLY A 29 7.694 -3.295 -2.444 1.00 10.40 C ATOM 489 O GLY A 29 8.595 -4.101 -2.214 1.00 62.42 O ATOM 0 H GLY A 29 7.389 -4.373 -0.214 1.00 35.24 H new ATOM 0 HA2 GLY A 29 5.706 -4.080 -2.357 1.00 23.32 H new ATOM 0 HA3 GLY A 29 5.865 -2.456 -1.717 1.00 23.32 H new ATOM 493 N THR A 30 7.835 -2.275 -3.272 1.00 64.14 N ATOM 494 CA THR A 30 9.069 -2.050 -4.005 1.00 12.23 C ATOM 495 C THR A 30 9.567 -0.623 -3.789 1.00 62.13 C ATOM 496 O THR A 30 8.855 0.208 -3.222 1.00 51.05 O ATOM 497 CB THR A 30 8.856 -2.292 -5.516 1.00 75.13 C ATOM 498 OG1 THR A 30 7.786 -1.472 -5.995 1.00 61.25 O ATOM 499 CG2 THR A 30 8.546 -3.753 -5.801 1.00 71.03 C ATOM 0 H THR A 30 7.106 -1.586 -3.454 1.00 64.14 H new ATOM 0 HA THR A 30 9.814 -2.752 -3.631 1.00 12.23 H new ATOM 0 HB THR A 30 9.779 -2.030 -6.033 1.00 75.13 H new ATOM 0 HG1 THR A 30 7.551 -1.741 -6.908 1.00 61.25 H new ATOM 0 HG21 THR A 30 8.401 -3.892 -6.872 1.00 71.03 H new ATOM 0 HG22 THR A 30 9.376 -4.374 -5.464 1.00 71.03 H new ATOM 0 HG23 THR A 30 7.638 -4.042 -5.272 1.00 71.03 H new ATOM 507 N PRO A 31 10.806 -0.315 -4.216 1.00 61.34 N ATOM 508 CA PRO A 31 11.303 1.063 -4.234 1.00 3.14 C ATOM 509 C PRO A 31 10.627 1.887 -5.329 1.00 40.20 C ATOM 510 O PRO A 31 10.929 3.066 -5.517 1.00 0.21 O ATOM 511 CB PRO A 31 12.800 0.903 -4.518 1.00 53.03 C ATOM 512 CG PRO A 31 12.917 -0.403 -5.226 1.00 63.51 C ATOM 513 CD PRO A 31 11.830 -1.279 -4.668 1.00 1.24 C ATOM 0 HA PRO A 31 11.099 1.592 -3.303 1.00 3.14 H new ATOM 0 HB2 PRO A 31 13.175 1.721 -5.133 1.00 53.03 H new ATOM 0 HB3 PRO A 31 13.380 0.906 -3.595 1.00 53.03 H new ATOM 0 HG2 PRO A 31 12.800 -0.275 -6.302 1.00 63.51 H new ATOM 0 HG3 PRO A 31 13.898 -0.848 -5.063 1.00 63.51 H new ATOM 0 HD2 PRO A 31 11.435 -1.959 -5.423 1.00 1.24 H new ATOM 0 HD3 PRO A 31 12.193 -1.894 -3.845 1.00 1.24 H new ATOM 521 N GLN A 32 9.717 1.242 -6.053 1.00 74.34 N ATOM 522 CA GLN A 32 8.922 1.898 -7.078 1.00 3.44 C ATOM 523 C GLN A 32 7.564 2.290 -6.499 1.00 65.51 C ATOM 524 O GLN A 32 7.045 3.375 -6.762 1.00 11.42 O ATOM 525 CB GLN A 32 8.739 0.960 -8.272 1.00 50.21 C ATOM 526 CG GLN A 32 8.056 1.606 -9.462 1.00 52.21 C ATOM 527 CD GLN A 32 7.862 0.637 -10.609 1.00 22.02 C ATOM 528 OE1 GLN A 32 6.833 -0.025 -10.711 1.00 54.43 O ATOM 529 NE2 GLN A 32 8.864 0.530 -11.467 1.00 14.44 N ATOM 0 H GLN A 32 9.512 0.249 -5.943 1.00 74.34 H new ATOM 0 HA GLN A 32 9.436 2.798 -7.416 1.00 3.44 H new ATOM 0 HB2 GLN A 32 9.716 0.589 -8.583 1.00 50.21 H new ATOM 0 HB3 GLN A 32 8.156 0.095 -7.956 1.00 50.21 H new ATOM 0 HG2 GLN A 32 7.087 1.998 -9.153 1.00 52.21 H new ATOM 0 HG3 GLN A 32 8.650 2.454 -9.802 1.00 52.21 H new ATOM 0 HE21 GLN A 32 9.702 1.099 -11.346 1.00 14.44 H new ATOM 0 HE22 GLN A 32 8.798 -0.121 -12.249 1.00 14.44 H new ATOM 538 N ILE A 33 6.999 1.389 -5.710 1.00 42.03 N ATOM 539 CA ILE A 33 5.762 1.653 -4.994 1.00 73.41 C ATOM 540 C ILE A 33 5.803 0.969 -3.628 1.00 74.44 C ATOM 541 O ILE A 33 5.947 -0.252 -3.528 1.00 24.15 O ATOM 542 CB ILE A 33 4.519 1.200 -5.802 1.00 24.00 C ATOM 543 CG1 ILE A 33 3.240 1.397 -4.982 1.00 60.32 C ATOM 544 CG2 ILE A 33 4.656 -0.248 -6.253 1.00 63.11 C ATOM 545 CD1 ILE A 33 1.975 1.046 -5.736 1.00 10.04 C ATOM 0 H ILE A 33 7.384 0.458 -5.549 1.00 42.03 H new ATOM 0 HA ILE A 33 5.673 2.730 -4.854 1.00 73.41 H new ATOM 0 HB ILE A 33 4.452 1.822 -6.694 1.00 24.00 H new ATOM 0 HG12 ILE A 33 3.298 0.785 -4.082 1.00 60.32 H new ATOM 0 HG13 ILE A 33 3.183 2.436 -4.658 1.00 60.32 H new ATOM 0 HG21 ILE A 33 3.770 -0.539 -6.817 1.00 63.11 H new ATOM 0 HG22 ILE A 33 5.538 -0.350 -6.885 1.00 63.11 H new ATOM 0 HG23 ILE A 33 4.758 -0.893 -5.380 1.00 63.11 H new ATOM 0 HD11 ILE A 33 1.111 1.210 -5.093 1.00 10.04 H new ATOM 0 HD12 ILE A 33 1.893 1.676 -6.622 1.00 10.04 H new ATOM 0 HD13 ILE A 33 2.010 -0.001 -6.037 1.00 10.04 H new ATOM 557 N THR A 34 5.708 1.763 -2.578 1.00 75.23 N ATOM 558 CA THR A 34 5.888 1.262 -1.228 1.00 1.32 C ATOM 559 C THR A 34 4.574 1.271 -0.449 1.00 11.11 C ATOM 560 O THR A 34 4.008 2.329 -0.171 1.00 22.40 O ATOM 561 CB THR A 34 6.938 2.104 -0.478 1.00 44.21 C ATOM 562 OG1 THR A 34 8.152 2.170 -1.245 1.00 74.43 O ATOM 563 CG2 THR A 34 7.234 1.518 0.895 1.00 54.12 C ATOM 0 H THR A 34 5.506 2.761 -2.634 1.00 75.23 H new ATOM 0 HA THR A 34 6.235 0.232 -1.304 1.00 1.32 H new ATOM 0 HB THR A 34 6.533 3.107 -0.344 1.00 44.21 H new ATOM 0 HG1 THR A 34 8.194 1.406 -1.857 1.00 74.43 H new ATOM 0 HG21 THR A 34 7.978 2.133 1.400 1.00 54.12 H new ATOM 0 HG22 THR A 34 6.319 1.496 1.486 1.00 54.12 H new ATOM 0 HG23 THR A 34 7.617 0.504 0.783 1.00 54.12 H new ATOM 571 N ILE A 35 4.091 0.086 -0.106 1.00 41.31 N ATOM 572 CA ILE A 35 2.884 -0.042 0.694 1.00 31.43 C ATOM 573 C ILE A 35 3.252 -0.161 2.170 1.00 50.34 C ATOM 574 O ILE A 35 3.905 -1.122 2.584 1.00 53.13 O ATOM 575 CB ILE A 35 2.027 -1.269 0.278 1.00 34.33 C ATOM 576 CG1 ILE A 35 1.545 -1.154 -1.178 1.00 34.14 C ATOM 577 CG2 ILE A 35 0.833 -1.423 1.213 1.00 42.34 C ATOM 578 CD1 ILE A 35 2.598 -1.488 -2.217 1.00 52.41 C ATOM 0 H ILE A 35 4.518 -0.802 -0.370 1.00 41.31 H new ATOM 0 HA ILE A 35 2.287 0.854 0.523 1.00 31.43 H new ATOM 0 HB ILE A 35 2.659 -2.154 0.354 1.00 34.33 H new ATOM 0 HG12 ILE A 35 0.691 -1.817 -1.318 1.00 34.14 H new ATOM 0 HG13 ILE A 35 1.191 -0.138 -1.351 1.00 34.14 H new ATOM 0 HG21 ILE A 35 0.242 -2.287 0.909 1.00 42.34 H new ATOM 0 HG22 ILE A 35 1.187 -1.566 2.234 1.00 42.34 H new ATOM 0 HG23 ILE A 35 0.216 -0.526 1.165 1.00 42.34 H new ATOM 0 HD11 ILE A 35 2.172 -1.381 -3.214 1.00 52.41 H new ATOM 0 HD12 ILE A 35 3.444 -0.809 -2.109 1.00 52.41 H new ATOM 0 HD13 ILE A 35 2.936 -2.515 -2.075 1.00 52.41 H new ATOM 590 N LEU A 36 2.851 0.827 2.956 1.00 11.33 N ATOM 591 CA LEU A 36 3.128 0.831 4.383 1.00 32.44 C ATOM 592 C LEU A 36 1.871 0.467 5.157 1.00 24.51 C ATOM 593 O LEU A 36 0.892 1.217 5.163 1.00 63.03 O ATOM 594 CB LEU A 36 3.641 2.201 4.831 1.00 51.33 C ATOM 595 CG LEU A 36 4.963 2.643 4.200 1.00 72.21 C ATOM 596 CD1 LEU A 36 5.317 4.052 4.649 1.00 51.10 C ATOM 597 CD2 LEU A 36 6.078 1.674 4.564 1.00 45.02 C ATOM 0 H LEU A 36 2.330 1.640 2.627 1.00 11.33 H new ATOM 0 HA LEU A 36 3.901 0.090 4.587 1.00 32.44 H new ATOM 0 HB2 LEU A 36 2.881 2.948 4.602 1.00 51.33 H new ATOM 0 HB3 LEU A 36 3.761 2.189 5.914 1.00 51.33 H new ATOM 0 HG LEU A 36 4.847 2.642 3.116 1.00 72.21 H new ATOM 0 HD11 LEU A 36 6.260 4.353 4.192 1.00 51.10 H new ATOM 0 HD12 LEU A 36 4.529 4.740 4.343 1.00 51.10 H new ATOM 0 HD13 LEU A 36 5.416 4.074 5.734 1.00 51.10 H new ATOM 0 HD21 LEU A 36 7.011 2.004 4.107 1.00 45.02 H new ATOM 0 HD22 LEU A 36 6.195 1.645 5.647 1.00 45.02 H new ATOM 0 HD23 LEU A 36 5.828 0.678 4.199 1.00 45.02 H new ATOM 609 N GLY A 37 1.892 -0.692 5.795 1.00 53.44 N ATOM 610 CA GLY A 37 0.729 -1.149 6.523 1.00 73.45 C ATOM 611 C GLY A 37 1.076 -1.746 7.870 1.00 14.11 C ATOM 612 O GLY A 37 1.764 -2.763 7.948 1.00 61.02 O ATOM 0 H GLY A 37 2.693 -1.324 5.822 1.00 53.44 H new ATOM 0 HA2 GLY A 37 0.045 -0.313 6.667 1.00 73.45 H new ATOM 0 HA3 GLY A 37 0.202 -1.893 5.926 1.00 73.45 H new ATOM 616 N ARG A 38 0.604 -1.107 8.929 1.00 43.32 N ATOM 617 CA ARG A 38 0.788 -1.609 10.284 1.00 11.32 C ATOM 618 C ARG A 38 -0.438 -1.276 11.121 1.00 3.41 C ATOM 619 O ARG A 38 -0.471 -0.265 11.821 1.00 25.43 O ATOM 620 CB ARG A 38 2.046 -1.010 10.926 1.00 33.10 C ATOM 621 CG ARG A 38 2.327 -1.505 12.343 1.00 72.22 C ATOM 622 CD ARG A 38 2.697 -2.980 12.367 1.00 65.55 C ATOM 623 NE ARG A 38 3.082 -3.422 13.710 1.00 13.40 N ATOM 624 CZ ARG A 38 3.550 -4.639 13.998 1.00 41.35 C ATOM 625 NH1 ARG A 38 3.719 -5.543 13.040 1.00 15.44 N ATOM 626 NH2 ARG A 38 3.862 -4.947 15.250 1.00 1.51 N ATOM 0 H ARG A 38 0.085 -0.230 8.876 1.00 43.32 H new ATOM 0 HA ARG A 38 0.915 -2.691 10.240 1.00 11.32 H new ATOM 0 HB2 ARG A 38 2.905 -1.240 10.296 1.00 33.10 H new ATOM 0 HB3 ARG A 38 1.947 0.075 10.946 1.00 33.10 H new ATOM 0 HG2 ARG A 38 3.138 -0.920 12.777 1.00 72.22 H new ATOM 0 HG3 ARG A 38 1.447 -1.341 12.966 1.00 72.22 H new ATOM 0 HD2 ARG A 38 1.852 -3.573 12.018 1.00 65.55 H new ATOM 0 HD3 ARG A 38 3.520 -3.160 11.675 1.00 65.55 H new ATOM 0 HE ARG A 38 2.986 -2.755 14.476 1.00 13.40 H new ATOM 0 HH11 ARG A 38 3.491 -5.311 12.073 1.00 15.44 H new ATOM 0 HH12 ARG A 38 4.077 -6.470 13.271 1.00 15.44 H new ATOM 0 HH21 ARG A 38 3.744 -4.255 15.990 1.00 1.51 H new ATOM 0 HH22 ARG A 38 4.220 -5.876 15.473 1.00 1.51 H new ATOM 640 N LEU A 39 -1.460 -2.107 11.005 1.00 74.23 N ATOM 641 CA LEU A 39 -2.701 -1.896 11.727 1.00 41.52 C ATOM 642 C LEU A 39 -3.352 -3.244 12.013 1.00 33.22 C ATOM 643 O LEU A 39 -2.707 -4.286 11.886 1.00 71.23 O ATOM 644 CB LEU A 39 -3.643 -1.011 10.906 1.00 25.23 C ATOM 645 CG LEU A 39 -4.615 -0.164 11.726 1.00 12.25 C ATOM 646 CD1 LEU A 39 -3.858 0.904 12.498 1.00 33.53 C ATOM 647 CD2 LEU A 39 -5.665 0.468 10.831 1.00 11.43 C ATOM 0 H LEU A 39 -1.453 -2.938 10.414 1.00 74.23 H new ATOM 0 HA LEU A 39 -2.492 -1.392 12.671 1.00 41.52 H new ATOM 0 HB2 LEU A 39 -3.043 -0.347 10.284 1.00 25.23 H new ATOM 0 HB3 LEU A 39 -4.218 -1.646 10.232 1.00 25.23 H new ATOM 0 HG LEU A 39 -5.124 -0.814 12.438 1.00 12.25 H new ATOM 0 HD11 LEU A 39 -4.562 1.501 13.078 1.00 33.53 H new ATOM 0 HD12 LEU A 39 -3.144 0.429 13.171 1.00 33.53 H new ATOM 0 HD13 LEU A 39 -3.325 1.549 11.799 1.00 33.53 H new ATOM 0 HD21 LEU A 39 -6.346 1.066 11.436 1.00 11.43 H new ATOM 0 HD22 LEU A 39 -5.178 1.106 10.094 1.00 11.43 H new ATOM 0 HD23 LEU A 39 -6.226 -0.314 10.320 1.00 11.43 H new ATOM 659 N ASN A 40 -4.618 -3.228 12.397 1.00 44.23 N ATOM 660 CA ASN A 40 -5.341 -4.457 12.681 1.00 43.45 C ATOM 661 C ASN A 40 -6.362 -4.720 11.580 1.00 4.05 C ATOM 662 O ASN A 40 -7.055 -3.802 11.137 1.00 62.51 O ATOM 663 CB ASN A 40 -6.037 -4.361 14.045 1.00 52.10 C ATOM 664 CG ASN A 40 -6.487 -5.710 14.585 1.00 31.51 C ATOM 665 OD1 ASN A 40 -6.816 -6.624 13.832 1.00 63.32 O ATOM 666 ND2 ASN A 40 -6.505 -5.837 15.903 1.00 40.24 N ATOM 0 H ASN A 40 -5.167 -2.377 12.519 1.00 44.23 H new ATOM 0 HA ASN A 40 -4.635 -5.287 12.713 1.00 43.45 H new ATOM 0 HB2 ASN A 40 -5.357 -3.899 14.761 1.00 52.10 H new ATOM 0 HB3 ASN A 40 -6.903 -3.705 13.958 1.00 52.10 H new ATOM 0 HD21 ASN A 40 -6.799 -6.717 16.327 1.00 40.24 H new ATOM 0 HD22 ASN A 40 -6.224 -5.055 16.495 1.00 40.24 H new ATOM 673 N SER A 41 -6.444 -5.965 11.133 1.00 72.23 N ATOM 674 CA SER A 41 -7.383 -6.344 10.091 1.00 40.04 C ATOM 675 C SER A 41 -8.797 -6.460 10.661 1.00 41.33 C ATOM 676 O SER A 41 -9.283 -7.555 10.948 1.00 31.01 O ATOM 677 CB SER A 41 -6.949 -7.661 9.455 1.00 73.42 C ATOM 678 OG SER A 41 -5.600 -7.587 9.023 1.00 12.24 O ATOM 0 H SER A 41 -5.868 -6.732 11.479 1.00 72.23 H new ATOM 0 HA SER A 41 -7.390 -5.570 9.323 1.00 40.04 H new ATOM 0 HB2 SER A 41 -7.062 -8.473 10.174 1.00 73.42 H new ATOM 0 HB3 SER A 41 -7.595 -7.892 8.608 1.00 73.42 H new ATOM 0 HG SER A 41 -5.338 -8.441 8.619 1.00 12.24 H new ATOM 684 N LEU A 42 -9.439 -5.315 10.841 1.00 55.11 N ATOM 685 CA LEU A 42 -10.765 -5.253 11.444 1.00 14.44 C ATOM 686 C LEU A 42 -11.854 -5.569 10.425 1.00 25.24 C ATOM 687 O LEU A 42 -12.976 -5.912 10.793 1.00 12.05 O ATOM 688 CB LEU A 42 -11.007 -3.861 12.031 1.00 41.05 C ATOM 689 CG LEU A 42 -9.998 -3.415 13.093 1.00 10.14 C ATOM 690 CD1 LEU A 42 -10.269 -1.979 13.514 1.00 61.43 C ATOM 691 CD2 LEU A 42 -10.046 -4.342 14.301 1.00 42.44 C ATOM 0 H LEU A 42 -9.059 -4.406 10.575 1.00 55.11 H new ATOM 0 HA LEU A 42 -10.807 -6.001 12.236 1.00 14.44 H new ATOM 0 HB2 LEU A 42 -10.999 -3.135 11.218 1.00 41.05 H new ATOM 0 HB3 LEU A 42 -12.005 -3.838 12.469 1.00 41.05 H new ATOM 0 HG LEU A 42 -8.999 -3.466 12.660 1.00 10.14 H new ATOM 0 HD11 LEU A 42 -9.543 -1.678 14.269 1.00 61.43 H new ATOM 0 HD12 LEU A 42 -10.184 -1.324 12.647 1.00 61.43 H new ATOM 0 HD13 LEU A 42 -11.275 -1.905 13.928 1.00 61.43 H new ATOM 0 HD21 LEU A 42 -9.322 -4.009 15.044 1.00 42.44 H new ATOM 0 HD22 LEU A 42 -11.046 -4.323 14.734 1.00 42.44 H new ATOM 0 HD23 LEU A 42 -9.804 -5.358 13.990 1.00 42.44 H new ATOM 703 N GLY A 43 -11.517 -5.456 9.147 1.00 2.10 N ATOM 704 CA GLY A 43 -12.507 -5.643 8.101 1.00 2.22 C ATOM 705 C GLY A 43 -12.768 -4.351 7.358 1.00 14.11 C ATOM 706 O GLY A 43 -13.503 -4.319 6.374 1.00 61.41 O ATOM 0 H GLY A 43 -10.577 -5.239 8.815 1.00 2.10 H new ATOM 0 HA2 GLY A 43 -12.162 -6.404 7.402 1.00 2.22 H new ATOM 0 HA3 GLY A 43 -13.436 -6.009 8.537 1.00 2.22 H new ATOM 710 N HIS A 44 -12.148 -3.289 7.846 1.00 5.31 N ATOM 711 CA HIS A 44 -12.237 -1.968 7.238 1.00 73.40 C ATOM 712 C HIS A 44 -11.027 -1.744 6.330 1.00 10.31 C ATOM 713 O HIS A 44 -9.949 -1.427 6.809 1.00 23.42 O ATOM 714 CB HIS A 44 -12.302 -0.917 8.366 1.00 61.32 C ATOM 715 CG HIS A 44 -12.130 0.521 7.954 1.00 13.25 C ATOM 716 ND1 HIS A 44 -13.109 1.474 8.116 1.00 5.23 N ATOM 717 CD2 HIS A 44 -11.055 1.180 7.469 1.00 1.33 C ATOM 718 CE1 HIS A 44 -12.639 2.654 7.751 1.00 54.22 C ATOM 719 NE2 HIS A 44 -11.387 2.504 7.354 1.00 25.43 N ATOM 0 H HIS A 44 -11.564 -3.318 8.682 1.00 5.31 H new ATOM 0 HA HIS A 44 -13.134 -1.880 6.624 1.00 73.40 H new ATOM 0 HB2 HIS A 44 -13.264 -1.015 8.869 1.00 61.32 H new ATOM 0 HB3 HIS A 44 -11.533 -1.156 9.100 1.00 61.32 H new ATOM 0 HD2 HIS A 44 -10.101 0.740 7.216 1.00 1.33 H new ATOM 0 HE1 HIS A 44 -13.186 3.585 7.773 1.00 54.22 H new ATOM 0 HE2 HIS A 44 -10.773 3.247 7.019 1.00 25.43 H new ATOM 728 N PRO A 45 -11.177 -1.947 5.013 1.00 20.24 N ATOM 729 CA PRO A 45 -10.091 -1.789 4.061 1.00 44.04 C ATOM 730 C PRO A 45 -10.047 -0.391 3.451 1.00 32.34 C ATOM 731 O PRO A 45 -10.851 -0.050 2.578 1.00 65.10 O ATOM 732 CB PRO A 45 -10.421 -2.836 2.995 1.00 21.45 C ATOM 733 CG PRO A 45 -11.892 -3.125 3.130 1.00 23.25 C ATOM 734 CD PRO A 45 -12.403 -2.362 4.331 1.00 2.21 C ATOM 0 HA PRO A 45 -9.112 -1.918 4.523 1.00 44.04 H new ATOM 0 HB2 PRO A 45 -10.188 -2.463 1.998 1.00 21.45 H new ATOM 0 HB3 PRO A 45 -9.832 -3.741 3.143 1.00 21.45 H new ATOM 0 HG2 PRO A 45 -12.425 -2.822 2.229 1.00 23.25 H new ATOM 0 HG3 PRO A 45 -12.062 -4.194 3.256 1.00 23.25 H new ATOM 0 HD2 PRO A 45 -13.009 -1.505 4.035 1.00 2.21 H new ATOM 0 HD3 PRO A 45 -13.026 -2.988 4.970 1.00 2.21 H new ATOM 742 N ARG A 46 -9.119 0.423 3.920 1.00 35.11 N ATOM 743 CA ARG A 46 -8.972 1.771 3.406 1.00 52.12 C ATOM 744 C ARG A 46 -7.643 1.911 2.678 1.00 63.32 C ATOM 745 O ARG A 46 -6.578 1.903 3.297 1.00 62.13 O ATOM 746 CB ARG A 46 -9.069 2.788 4.537 1.00 64.43 C ATOM 747 CG ARG A 46 -9.153 4.226 4.056 1.00 14.13 C ATOM 748 CD ARG A 46 -9.235 5.185 5.227 1.00 71.40 C ATOM 749 NE ARG A 46 -9.526 6.555 4.809 1.00 42.43 N ATOM 750 CZ ARG A 46 -9.451 7.607 5.627 1.00 42.31 C ATOM 751 NH1 ARG A 46 -9.065 7.441 6.890 1.00 12.14 N ATOM 752 NH2 ARG A 46 -9.758 8.821 5.184 1.00 62.51 N ATOM 0 H ARG A 46 -8.457 0.174 4.655 1.00 35.11 H new ATOM 0 HA ARG A 46 -9.780 1.965 2.701 1.00 52.12 H new ATOM 0 HB2 ARG A 46 -9.948 2.564 5.141 1.00 64.43 H new ATOM 0 HB3 ARG A 46 -8.200 2.681 5.186 1.00 64.43 H new ATOM 0 HG2 ARG A 46 -8.279 4.462 3.448 1.00 14.13 H new ATOM 0 HG3 ARG A 46 -10.028 4.350 3.418 1.00 14.13 H new ATOM 0 HD2 ARG A 46 -10.009 4.847 5.916 1.00 71.40 H new ATOM 0 HD3 ARG A 46 -8.292 5.168 5.773 1.00 71.40 H new ATOM 0 HE ARG A 46 -9.801 6.716 3.840 1.00 42.43 H new ATOM 0 HH11 ARG A 46 -8.827 6.510 7.232 1.00 12.14 H new ATOM 0 HH12 ARG A 46 -9.007 8.245 7.516 1.00 12.14 H new ATOM 0 HH21 ARG A 46 -10.052 8.951 4.216 1.00 62.51 H new ATOM 0 HH22 ARG A 46 -9.700 9.623 5.812 1.00 62.51 H new ATOM 766 N ILE A 47 -7.711 2.021 1.361 1.00 43.04 N ATOM 767 CA ILE A 47 -6.513 2.122 0.545 1.00 12.30 C ATOM 768 C ILE A 47 -6.071 3.589 0.418 1.00 4.13 C ATOM 769 O ILE A 47 -6.626 4.369 -0.358 1.00 14.21 O ATOM 770 CB ILE A 47 -6.725 1.469 -0.850 1.00 15.12 C ATOM 771 CG1 ILE A 47 -5.428 1.520 -1.666 1.00 61.31 C ATOM 772 CG2 ILE A 47 -7.883 2.116 -1.608 1.00 34.14 C ATOM 773 CD1 ILE A 47 -5.599 1.136 -3.118 1.00 1.52 C ATOM 0 H ILE A 47 -8.584 2.043 0.834 1.00 43.04 H new ATOM 0 HA ILE A 47 -5.714 1.571 1.041 1.00 12.30 H new ATOM 0 HB ILE A 47 -6.992 0.424 -0.694 1.00 15.12 H new ATOM 0 HG12 ILE A 47 -5.017 2.528 -1.614 1.00 61.31 H new ATOM 0 HG13 ILE A 47 -4.697 0.854 -1.208 1.00 61.31 H new ATOM 0 HG21 ILE A 47 -7.999 1.632 -2.578 1.00 34.14 H new ATOM 0 HG22 ILE A 47 -8.802 2.003 -1.034 1.00 34.14 H new ATOM 0 HG23 ILE A 47 -7.675 3.176 -1.754 1.00 34.14 H new ATOM 0 HD11 ILE A 47 -4.637 1.197 -3.626 1.00 1.52 H new ATOM 0 HD12 ILE A 47 -5.979 0.116 -3.182 1.00 1.52 H new ATOM 0 HD13 ILE A 47 -6.305 1.817 -3.594 1.00 1.52 H new ATOM 785 N GLY A 48 -5.087 3.969 1.222 1.00 24.14 N ATOM 786 CA GLY A 48 -4.618 5.343 1.224 1.00 25.20 C ATOM 787 C GLY A 48 -3.580 5.605 0.155 1.00 21.45 C ATOM 788 O GLY A 48 -2.399 5.781 0.458 1.00 22.41 O ATOM 0 H GLY A 48 -4.604 3.351 1.874 1.00 24.14 H new ATOM 0 HA2 GLY A 48 -5.465 6.012 1.074 1.00 25.20 H new ATOM 0 HA3 GLY A 48 -4.195 5.577 2.201 1.00 25.20 H new ATOM 792 N LEU A 49 -4.020 5.628 -1.095 1.00 22.53 N ATOM 793 CA LEU A 49 -3.129 5.873 -2.223 1.00 63.10 C ATOM 794 C LEU A 49 -2.600 7.307 -2.191 1.00 4.12 C ATOM 795 O LEU A 49 -3.370 8.266 -2.264 1.00 15.41 O ATOM 796 CB LEU A 49 -3.862 5.609 -3.544 1.00 2.20 C ATOM 797 CG LEU A 49 -3.021 5.789 -4.810 1.00 1.32 C ATOM 798 CD1 LEU A 49 -1.880 4.783 -4.842 1.00 45.03 C ATOM 799 CD2 LEU A 49 -3.893 5.648 -6.049 1.00 4.42 C ATOM 0 H LEU A 49 -4.995 5.479 -1.356 1.00 22.53 H new ATOM 0 HA LEU A 49 -2.282 5.191 -2.147 1.00 63.10 H new ATOM 0 HB2 LEU A 49 -4.249 4.590 -3.528 1.00 2.20 H new ATOM 0 HB3 LEU A 49 -4.722 6.276 -3.602 1.00 2.20 H new ATOM 0 HG LEU A 49 -2.592 6.791 -4.801 1.00 1.32 H new ATOM 0 HD11 LEU A 49 -1.294 4.927 -5.749 1.00 45.03 H new ATOM 0 HD12 LEU A 49 -1.242 4.929 -3.971 1.00 45.03 H new ATOM 0 HD13 LEU A 49 -2.286 3.772 -4.829 1.00 45.03 H new ATOM 0 HD21 LEU A 49 -3.281 5.779 -6.941 1.00 4.42 H new ATOM 0 HD22 LEU A 49 -4.348 4.658 -6.063 1.00 4.42 H new ATOM 0 HD23 LEU A 49 -4.675 6.407 -6.032 1.00 4.42 H new ATOM 811 N THR A 50 -1.288 7.447 -2.075 1.00 63.11 N ATOM 812 CA THR A 50 -0.658 8.755 -2.022 1.00 55.23 C ATOM 813 C THR A 50 0.222 8.983 -3.251 1.00 53.34 C ATOM 814 O THR A 50 1.264 8.341 -3.415 1.00 51.20 O ATOM 815 CB THR A 50 0.185 8.903 -0.740 1.00 35.15 C ATOM 816 OG1 THR A 50 -0.611 8.556 0.400 1.00 41.42 O ATOM 817 CG2 THR A 50 0.697 10.326 -0.584 1.00 4.44 C ATOM 0 H THR A 50 -0.636 6.664 -2.016 1.00 63.11 H new ATOM 0 HA THR A 50 -1.448 9.506 -2.012 1.00 55.23 H new ATOM 0 HB THR A 50 1.042 8.234 -0.814 1.00 35.15 H new ATOM 0 HG1 THR A 50 -0.074 8.649 1.214 1.00 41.42 H new ATOM 0 HG21 THR A 50 1.288 10.402 0.328 1.00 4.44 H new ATOM 0 HG22 THR A 50 1.318 10.585 -1.442 1.00 4.44 H new ATOM 0 HG23 THR A 50 -0.148 11.012 -0.527 1.00 4.44 H new ATOM 825 N VAL A 51 -0.219 9.885 -4.120 1.00 22.43 N ATOM 826 CA VAL A 51 0.501 10.200 -5.346 1.00 20.11 C ATOM 827 C VAL A 51 0.692 11.710 -5.462 1.00 34.33 C ATOM 828 O VAL A 51 -0.189 12.481 -5.074 1.00 31.45 O ATOM 829 CB VAL A 51 -0.255 9.683 -6.595 1.00 70.04 C ATOM 830 CG1 VAL A 51 0.541 9.936 -7.865 1.00 55.44 C ATOM 831 CG2 VAL A 51 -0.581 8.204 -6.459 1.00 32.35 C ATOM 0 H VAL A 51 -1.081 10.416 -3.995 1.00 22.43 H new ATOM 0 HA VAL A 51 1.470 9.704 -5.300 1.00 20.11 H new ATOM 0 HB VAL A 51 -1.191 10.237 -6.666 1.00 70.04 H new ATOM 0 HG11 VAL A 51 -0.016 9.562 -8.724 1.00 55.44 H new ATOM 0 HG12 VAL A 51 0.711 11.006 -7.981 1.00 55.44 H new ATOM 0 HG13 VAL A 51 1.500 9.421 -7.802 1.00 55.44 H new ATOM 0 HG21 VAL A 51 -1.112 7.865 -7.349 1.00 32.35 H new ATOM 0 HG22 VAL A 51 0.343 7.636 -6.349 1.00 32.35 H new ATOM 0 HG23 VAL A 51 -1.208 8.049 -5.581 1.00 32.35 H new ATOM 841 N ALA A 52 1.838 12.129 -5.987 1.00 24.31 N ATOM 842 CA ALA A 52 2.139 13.547 -6.135 1.00 33.42 C ATOM 843 C ALA A 52 2.478 13.878 -7.587 1.00 63.30 C ATOM 844 O ALA A 52 2.444 13.004 -8.451 1.00 24.14 O ATOM 845 CB ALA A 52 3.288 13.934 -5.218 1.00 74.45 C ATOM 0 H ALA A 52 2.574 11.505 -6.317 1.00 24.31 H new ATOM 0 HA ALA A 52 1.256 14.121 -5.854 1.00 33.42 H new ATOM 0 HB1 ALA A 52 3.506 14.996 -5.336 1.00 74.45 H new ATOM 0 HB2 ALA A 52 3.011 13.733 -4.183 1.00 74.45 H new ATOM 0 HB3 ALA A 52 4.172 13.351 -5.477 1.00 74.45 H new ATOM 851 N LYS A 53 2.807 15.137 -7.851 1.00 52.23 N ATOM 852 CA LYS A 53 3.193 15.555 -9.193 1.00 34.15 C ATOM 853 C LYS A 53 4.695 15.418 -9.384 1.00 60.25 C ATOM 854 O LYS A 53 5.193 15.458 -10.506 1.00 40.44 O ATOM 855 CB LYS A 53 2.792 17.007 -9.469 1.00 65.51 C ATOM 856 CG LYS A 53 1.292 17.251 -9.512 1.00 64.42 C ATOM 857 CD LYS A 53 0.976 18.637 -10.046 1.00 74.11 C ATOM 858 CE LYS A 53 1.478 18.809 -11.473 1.00 62.24 C ATOM 859 NZ LYS A 53 1.246 20.184 -11.985 1.00 44.11 N ATOM 0 H LYS A 53 2.814 15.884 -7.156 1.00 52.23 H new ATOM 0 HA LYS A 53 2.668 14.905 -9.893 1.00 34.15 H new ATOM 0 HB2 LYS A 53 3.229 17.643 -8.699 1.00 65.51 H new ATOM 0 HB3 LYS A 53 3.225 17.315 -10.421 1.00 65.51 H new ATOM 0 HG2 LYS A 53 0.816 16.499 -10.141 1.00 64.42 H new ATOM 0 HG3 LYS A 53 0.874 17.140 -8.511 1.00 64.42 H new ATOM 0 HD2 LYS A 53 -0.101 18.804 -10.015 1.00 74.11 H new ATOM 0 HD3 LYS A 53 1.434 19.389 -9.404 1.00 74.11 H new ATOM 0 HE2 LYS A 53 2.544 18.583 -11.512 1.00 62.24 H new ATOM 0 HE3 LYS A 53 0.976 18.091 -12.122 1.00 62.24 H new ATOM 0 HZ1 LYS A 53 1.603 20.256 -12.959 1.00 44.11 H new ATOM 0 HZ2 LYS A 53 0.227 20.392 -11.973 1.00 44.11 H new ATOM 0 HZ3 LYS A 53 1.746 20.868 -11.382 1.00 44.11 H new ATOM 873 N LYS A 54 5.420 15.272 -8.283 1.00 22.14 N ATOM 874 CA LYS A 54 6.875 15.201 -8.343 1.00 72.42 C ATOM 875 C LYS A 54 7.338 13.852 -8.878 1.00 4.01 C ATOM 876 O LYS A 54 8.440 13.734 -9.407 1.00 14.11 O ATOM 877 CB LYS A 54 7.499 15.481 -6.971 1.00 45.44 C ATOM 878 CG LYS A 54 7.089 14.504 -5.879 1.00 43.40 C ATOM 879 CD LYS A 54 7.701 14.887 -4.538 1.00 52.21 C ATOM 880 CE LYS A 54 9.219 14.804 -4.568 1.00 43.01 C ATOM 881 NZ LYS A 54 9.826 15.313 -3.312 1.00 22.52 N ATOM 0 H LYS A 54 5.029 15.201 -7.344 1.00 22.14 H new ATOM 0 HA LYS A 54 7.214 15.973 -9.033 1.00 72.42 H new ATOM 0 HB2 LYS A 54 8.584 15.462 -7.069 1.00 45.44 H new ATOM 0 HB3 LYS A 54 7.225 16.489 -6.660 1.00 45.44 H new ATOM 0 HG2 LYS A 54 6.003 14.485 -5.794 1.00 43.40 H new ATOM 0 HG3 LYS A 54 7.405 13.497 -6.151 1.00 43.40 H new ATOM 0 HD2 LYS A 54 7.397 15.900 -4.276 1.00 52.21 H new ATOM 0 HD3 LYS A 54 7.316 14.227 -3.761 1.00 52.21 H new ATOM 0 HE2 LYS A 54 9.523 13.769 -4.725 1.00 43.01 H new ATOM 0 HE3 LYS A 54 9.597 15.379 -5.413 1.00 43.01 H new ATOM 0 HZ1 LYS A 54 10.862 15.239 -3.372 1.00 22.52 H new ATOM 0 HZ2 LYS A 54 9.557 16.308 -3.175 1.00 22.52 H new ATOM 0 HZ3 LYS A 54 9.485 14.748 -2.508 1.00 22.52 H new ATOM 895 N ASN A 55 6.497 12.836 -8.744 1.00 34.14 N ATOM 896 CA ASN A 55 6.805 11.526 -9.296 1.00 22.14 C ATOM 897 C ASN A 55 5.977 11.273 -10.552 1.00 74.14 C ATOM 898 O ASN A 55 6.511 10.874 -11.586 1.00 22.41 O ATOM 899 CB ASN A 55 6.592 10.407 -8.261 1.00 13.15 C ATOM 900 CG ASN A 55 5.169 10.303 -7.737 1.00 64.12 C ATOM 901 OD1 ASN A 55 4.474 11.304 -7.572 1.00 33.34 O ATOM 902 ND2 ASN A 55 4.728 9.084 -7.481 1.00 11.22 N ATOM 0 H ASN A 55 5.601 12.894 -8.260 1.00 34.14 H new ATOM 0 HA ASN A 55 7.861 11.517 -9.566 1.00 22.14 H new ATOM 0 HB2 ASN A 55 6.872 9.454 -8.710 1.00 13.15 H new ATOM 0 HB3 ASN A 55 7.265 10.573 -7.420 1.00 13.15 H new ATOM 0 HD21 ASN A 55 3.779 8.948 -7.133 1.00 11.22 H new ATOM 0 HD22 ASN A 55 5.337 8.279 -7.631 1.00 11.22 H new ATOM 909 N VAL A 56 4.676 11.513 -10.467 1.00 40.24 N ATOM 910 CA VAL A 56 3.803 11.387 -11.624 1.00 12.55 C ATOM 911 C VAL A 56 3.488 12.767 -12.188 1.00 74.20 C ATOM 912 O VAL A 56 2.504 13.405 -11.807 1.00 55.03 O ATOM 913 CB VAL A 56 2.487 10.645 -11.287 1.00 51.43 C ATOM 914 CG1 VAL A 56 1.638 10.453 -12.538 1.00 15.10 C ATOM 915 CG2 VAL A 56 2.779 9.303 -10.628 1.00 22.41 C ATOM 0 H VAL A 56 4.203 11.796 -9.609 1.00 40.24 H new ATOM 0 HA VAL A 56 4.332 10.793 -12.369 1.00 12.55 H new ATOM 0 HB VAL A 56 1.924 11.258 -10.583 1.00 51.43 H new ATOM 0 HG11 VAL A 56 0.718 9.929 -12.277 1.00 15.10 H new ATOM 0 HG12 VAL A 56 1.393 11.426 -12.964 1.00 15.10 H new ATOM 0 HG13 VAL A 56 2.194 9.866 -13.269 1.00 15.10 H new ATOM 0 HG21 VAL A 56 1.840 8.798 -10.399 1.00 22.41 H new ATOM 0 HG22 VAL A 56 3.368 8.685 -11.306 1.00 22.41 H new ATOM 0 HG23 VAL A 56 3.338 9.464 -9.706 1.00 22.41 H new ATOM 925 N ARG A 57 4.349 13.244 -13.077 1.00 61.30 N ATOM 926 CA ARG A 57 4.167 14.563 -13.669 1.00 23.24 C ATOM 927 C ARG A 57 3.408 14.468 -14.988 1.00 24.21 C ATOM 928 O ARG A 57 3.319 15.439 -15.740 1.00 62.04 O ATOM 929 CB ARG A 57 5.515 15.266 -13.865 1.00 32.32 C ATOM 930 CG ARG A 57 6.427 14.626 -14.900 1.00 53.35 C ATOM 931 CD ARG A 57 7.714 15.423 -15.051 1.00 53.52 C ATOM 932 NE ARG A 57 7.448 16.842 -15.284 1.00 42.35 N ATOM 933 CZ ARG A 57 8.119 17.839 -14.703 1.00 51.51 C ATOM 934 NH1 ARG A 57 9.171 17.579 -13.935 1.00 20.13 N ATOM 935 NH2 ARG A 57 7.747 19.095 -14.916 1.00 32.54 N ATOM 0 H ARG A 57 5.175 12.742 -13.402 1.00 61.30 H new ATOM 0 HA ARG A 57 3.572 15.161 -12.979 1.00 23.24 H new ATOM 0 HB2 ARG A 57 5.330 16.300 -14.155 1.00 32.32 H new ATOM 0 HB3 ARG A 57 6.037 15.292 -12.909 1.00 32.32 H new ATOM 0 HG2 ARG A 57 6.660 13.603 -14.604 1.00 53.35 H new ATOM 0 HG3 ARG A 57 5.913 14.571 -15.860 1.00 53.35 H new ATOM 0 HD2 ARG A 57 8.320 15.309 -14.152 1.00 53.52 H new ATOM 0 HD3 ARG A 57 8.296 15.021 -15.880 1.00 53.52 H new ATOM 0 HE ARG A 57 6.700 17.086 -15.933 1.00 42.35 H new ATOM 0 HH11 ARG A 57 9.469 16.615 -13.787 1.00 20.13 H new ATOM 0 HH12 ARG A 57 9.681 18.344 -13.493 1.00 20.13 H new ATOM 0 HH21 ARG A 57 6.951 19.295 -15.522 1.00 32.54 H new ATOM 0 HH22 ARG A 57 8.257 19.860 -14.474 1.00 32.54 H new ATOM 949 N ARG A 58 2.860 13.291 -15.259 1.00 51.22 N ATOM 950 CA ARG A 58 1.986 13.102 -16.406 1.00 41.13 C ATOM 951 C ARG A 58 0.535 13.094 -15.946 1.00 34.13 C ATOM 952 O ARG A 58 0.061 12.110 -15.377 1.00 44.00 O ATOM 953 CB ARG A 58 2.302 11.801 -17.158 1.00 3.23 C ATOM 954 CG ARG A 58 3.470 11.905 -18.133 1.00 71.43 C ATOM 955 CD ARG A 58 4.817 11.929 -17.427 1.00 12.21 C ATOM 956 NE ARG A 58 5.926 12.102 -18.368 1.00 73.31 N ATOM 957 CZ ARG A 58 7.092 11.456 -18.290 1.00 41.43 C ATOM 958 NH1 ARG A 58 7.316 10.579 -17.321 1.00 31.40 N ATOM 959 NH2 ARG A 58 8.037 11.692 -19.189 1.00 3.30 N ATOM 0 H ARG A 58 3.007 12.452 -14.698 1.00 51.22 H new ATOM 0 HA ARG A 58 2.154 13.930 -17.095 1.00 41.13 H new ATOM 0 HB2 ARG A 58 2.520 11.019 -16.431 1.00 3.23 H new ATOM 0 HB3 ARG A 58 1.414 11.488 -17.706 1.00 3.23 H new ATOM 0 HG2 ARG A 58 3.440 11.061 -18.823 1.00 71.43 H new ATOM 0 HG3 ARG A 58 3.361 12.810 -18.731 1.00 71.43 H new ATOM 0 HD2 ARG A 58 4.830 12.739 -16.698 1.00 12.21 H new ATOM 0 HD3 ARG A 58 4.953 11.000 -16.873 1.00 12.21 H new ATOM 0 HE ARG A 58 5.799 12.761 -19.136 1.00 73.31 H new ATOM 0 HH11 ARG A 58 6.594 10.392 -16.625 1.00 31.40 H new ATOM 0 HH12 ARG A 58 8.210 10.091 -17.271 1.00 31.40 H new ATOM 0 HH21 ARG A 58 7.872 12.365 -19.937 1.00 3.30 H new ATOM 0 HH22 ARG A 58 8.929 11.200 -19.132 1.00 3.30 H new ATOM 973 N ALA A 59 -0.158 14.195 -16.195 1.00 42.32 N ATOM 974 CA ALA A 59 -1.526 14.375 -15.719 1.00 14.13 C ATOM 975 C ALA A 59 -2.479 13.369 -16.353 1.00 14.24 C ATOM 976 O ALA A 59 -3.449 12.939 -15.732 1.00 51.52 O ATOM 977 CB ALA A 59 -1.993 15.795 -15.996 1.00 41.42 C ATOM 0 H ALA A 59 0.206 14.985 -16.728 1.00 42.32 H new ATOM 0 HA ALA A 59 -1.531 14.200 -14.643 1.00 14.13 H new ATOM 0 HB1 ALA A 59 -3.015 15.919 -15.637 1.00 41.42 H new ATOM 0 HB2 ALA A 59 -1.340 16.500 -15.481 1.00 41.42 H new ATOM 0 HB3 ALA A 59 -1.960 15.986 -17.069 1.00 41.42 H new ATOM 983 N HIS A 60 -2.190 12.978 -17.584 1.00 60.41 N ATOM 984 CA HIS A 60 -3.038 12.035 -18.304 1.00 40.13 C ATOM 985 C HIS A 60 -2.969 10.647 -17.665 1.00 71.13 C ATOM 986 O HIS A 60 -3.907 9.856 -17.762 1.00 21.12 O ATOM 987 CB HIS A 60 -2.621 11.956 -19.777 1.00 23.13 C ATOM 988 CG HIS A 60 -3.523 11.097 -20.611 1.00 10.22 C ATOM 989 ND1 HIS A 60 -3.247 9.780 -20.904 1.00 50.15 N ATOM 990 CD2 HIS A 60 -4.703 11.372 -21.213 1.00 2.01 C ATOM 991 CE1 HIS A 60 -4.216 9.283 -21.649 1.00 15.10 C ATOM 992 NE2 HIS A 60 -5.113 10.229 -21.849 1.00 33.55 N ATOM 0 H HIS A 60 -1.375 13.298 -18.107 1.00 60.41 H new ATOM 0 HA HIS A 60 -4.066 12.392 -18.247 1.00 40.13 H new ATOM 0 HB2 HIS A 60 -2.603 12.962 -20.195 1.00 23.13 H new ATOM 0 HB3 HIS A 60 -1.605 11.567 -19.838 1.00 23.13 H new ATOM 0 HD1 HIS A 60 -2.421 9.268 -20.593 1.00 50.15 H new ATOM 0 HD2 HIS A 60 -5.225 12.317 -21.196 1.00 2.01 H new ATOM 0 HE1 HIS A 60 -4.266 8.274 -22.030 1.00 15.10 H new ATOM 1001 N GLU A 61 -1.865 10.369 -16.986 1.00 31.32 N ATOM 1002 CA GLU A 61 -1.635 9.047 -16.421 1.00 52.32 C ATOM 1003 C GLU A 61 -2.105 8.978 -14.971 1.00 20.30 C ATOM 1004 O GLU A 61 -1.851 7.999 -14.268 1.00 11.31 O ATOM 1005 CB GLU A 61 -0.158 8.671 -16.525 1.00 50.50 C ATOM 1006 CG GLU A 61 0.370 8.701 -17.953 1.00 61.40 C ATOM 1007 CD GLU A 61 -0.562 8.035 -18.952 1.00 33.44 C ATOM 1008 OE1 GLU A 61 -0.743 6.803 -18.887 1.00 4.34 O ATOM 1009 OE2 GLU A 61 -1.113 8.746 -19.818 1.00 53.02 O ATOM 0 H GLU A 61 -1.116 11.040 -16.813 1.00 31.32 H new ATOM 0 HA GLU A 61 -2.219 8.329 -16.997 1.00 52.32 H new ATOM 0 HB2 GLU A 61 0.429 9.356 -15.913 1.00 50.50 H new ATOM 0 HB3 GLU A 61 -0.014 7.672 -16.112 1.00 50.50 H new ATOM 0 HG2 GLU A 61 0.531 9.737 -18.252 1.00 61.40 H new ATOM 0 HG3 GLU A 61 1.340 8.205 -17.985 1.00 61.40 H new ATOM 1016 N ARG A 62 -2.807 10.013 -14.529 1.00 53.43 N ATOM 1017 CA ARG A 62 -3.378 10.029 -13.189 1.00 53.43 C ATOM 1018 C ARG A 62 -4.417 8.931 -13.036 1.00 55.34 C ATOM 1019 O ARG A 62 -4.492 8.267 -11.998 1.00 44.42 O ATOM 1020 CB ARG A 62 -4.018 11.382 -12.886 1.00 1.53 C ATOM 1021 CG ARG A 62 -3.018 12.494 -12.645 1.00 55.01 C ATOM 1022 CD ARG A 62 -2.110 12.162 -11.480 1.00 65.55 C ATOM 1023 NE ARG A 62 -1.369 13.329 -11.026 1.00 42.33 N ATOM 1024 CZ ARG A 62 -1.146 13.609 -9.748 1.00 21.33 C ATOM 1025 NH1 ARG A 62 -1.544 12.774 -8.797 1.00 71.40 N ATOM 1026 NH2 ARG A 62 -0.532 14.729 -9.418 1.00 22.43 N ATOM 0 H ARG A 62 -2.995 10.852 -15.078 1.00 53.43 H new ATOM 0 HA ARG A 62 -2.567 9.855 -12.481 1.00 53.43 H new ATOM 0 HB2 ARG A 62 -4.664 11.662 -13.718 1.00 1.53 H new ATOM 0 HB3 ARG A 62 -4.655 11.283 -12.007 1.00 1.53 H new ATOM 0 HG2 ARG A 62 -2.421 12.652 -13.543 1.00 55.01 H new ATOM 0 HG3 ARG A 62 -3.546 13.426 -12.445 1.00 55.01 H new ATOM 0 HD2 ARG A 62 -2.704 11.765 -10.657 1.00 65.55 H new ATOM 0 HD3 ARG A 62 -1.411 11.379 -11.775 1.00 65.55 H new ATOM 0 HE ARG A 62 -1.000 13.968 -11.730 1.00 42.33 H new ATOM 0 HH11 ARG A 62 -2.025 11.910 -9.046 1.00 71.40 H new ATOM 0 HH12 ARG A 62 -1.369 12.996 -7.817 1.00 71.40 H new ATOM 0 HH21 ARG A 62 -0.230 15.378 -10.144 1.00 22.43 H new ATOM 0 HH22 ARG A 62 -0.360 14.946 -8.436 1.00 22.43 H new ATOM 1040 N ASN A 63 -5.202 8.736 -14.087 1.00 33.14 N ATOM 1041 CA ASN A 63 -6.271 7.744 -14.081 1.00 55.53 C ATOM 1042 C ASN A 63 -5.686 6.333 -14.025 1.00 12.30 C ATOM 1043 O ASN A 63 -6.309 5.406 -13.505 1.00 31.05 O ATOM 1044 CB ASN A 63 -7.139 7.911 -15.333 1.00 14.21 C ATOM 1045 CG ASN A 63 -8.582 7.494 -15.113 1.00 63.30 C ATOM 1046 OD1 ASN A 63 -8.881 6.632 -14.289 1.00 14.02 O ATOM 1047 ND2 ASN A 63 -9.491 8.118 -15.845 1.00 22.22 N ATOM 0 H ASN A 63 -5.118 9.255 -14.961 1.00 33.14 H new ATOM 0 HA ASN A 63 -6.890 7.895 -13.197 1.00 55.53 H new ATOM 0 HB2 ASN A 63 -7.112 8.953 -15.651 1.00 14.21 H new ATOM 0 HB3 ASN A 63 -6.715 7.319 -16.144 1.00 14.21 H new ATOM 0 HD21 ASN A 63 -10.479 7.889 -15.735 1.00 22.22 H new ATOM 0 HD22 ASN A 63 -9.204 8.828 -16.519 1.00 22.22 H new ATOM 1054 N ARG A 64 -4.465 6.191 -14.540 1.00 52.34 N ATOM 1055 CA ARG A 64 -3.779 4.902 -14.576 1.00 73.54 C ATOM 1056 C ARG A 64 -3.576 4.354 -13.173 1.00 22.10 C ATOM 1057 O ARG A 64 -3.936 3.209 -12.884 1.00 21.31 O ATOM 1058 CB ARG A 64 -2.410 5.037 -15.242 1.00 41.35 C ATOM 1059 CG ARG A 64 -2.454 5.527 -16.676 1.00 10.22 C ATOM 1060 CD ARG A 64 -3.155 4.539 -17.590 1.00 21.05 C ATOM 1061 NE ARG A 64 -2.977 4.889 -18.996 1.00 73.20 N ATOM 1062 CZ ARG A 64 -3.737 4.419 -19.983 1.00 13.34 C ATOM 1063 NH1 ARG A 64 -4.760 3.609 -19.714 1.00 14.11 N ATOM 1064 NH2 ARG A 64 -3.477 4.762 -21.237 1.00 1.02 N ATOM 0 H ARG A 64 -3.928 6.960 -14.941 1.00 52.34 H new ATOM 0 HA ARG A 64 -4.406 4.219 -15.149 1.00 73.54 H new ATOM 0 HB2 ARG A 64 -1.801 5.724 -14.655 1.00 41.35 H new ATOM 0 HB3 ARG A 64 -1.911 4.068 -15.218 1.00 41.35 H new ATOM 0 HG2 ARG A 64 -2.969 6.487 -16.716 1.00 10.22 H new ATOM 0 HG3 ARG A 64 -1.438 5.695 -17.034 1.00 10.22 H new ATOM 0 HD2 ARG A 64 -2.765 3.537 -17.412 1.00 21.05 H new ATOM 0 HD3 ARG A 64 -4.218 4.514 -17.352 1.00 21.05 H new ATOM 0 HE ARG A 64 -2.224 5.533 -19.237 1.00 73.20 H new ATOM 0 HH11 ARG A 64 -4.963 3.347 -18.749 1.00 14.11 H new ATOM 0 HH12 ARG A 64 -5.340 3.251 -20.473 1.00 14.11 H new ATOM 0 HH21 ARG A 64 -2.696 5.385 -21.444 1.00 1.02 H new ATOM 0 HH22 ARG A 64 -4.058 4.403 -21.995 1.00 1.02 H new ATOM 1078 N ILE A 65 -2.999 5.186 -12.311 1.00 40.14 N ATOM 1079 CA ILE A 65 -2.615 4.762 -10.971 1.00 51.51 C ATOM 1080 C ILE A 65 -3.840 4.336 -10.163 1.00 51.51 C ATOM 1081 O ILE A 65 -3.792 3.341 -9.441 1.00 3.01 O ATOM 1082 CB ILE A 65 -1.851 5.877 -10.213 1.00 2.22 C ATOM 1083 CG1 ILE A 65 -0.769 6.491 -11.115 1.00 42.53 C ATOM 1084 CG2 ILE A 65 -1.218 5.321 -8.937 1.00 3.22 C ATOM 1085 CD1 ILE A 65 0.278 5.499 -11.583 1.00 1.54 C ATOM 0 H ILE A 65 -2.787 6.162 -12.519 1.00 40.14 H new ATOM 0 HA ILE A 65 -1.947 3.908 -11.086 1.00 51.51 H new ATOM 0 HB ILE A 65 -2.563 6.655 -9.938 1.00 2.22 H new ATOM 0 HG12 ILE A 65 -1.247 6.938 -11.987 1.00 42.53 H new ATOM 0 HG13 ILE A 65 -0.274 7.298 -10.574 1.00 42.53 H new ATOM 0 HG21 ILE A 65 -0.686 6.118 -8.418 1.00 3.22 H new ATOM 0 HG22 ILE A 65 -1.998 4.923 -8.288 1.00 3.22 H new ATOM 0 HG23 ILE A 65 -0.519 4.526 -9.195 1.00 3.22 H new ATOM 0 HD11 ILE A 65 1.006 6.009 -12.214 1.00 1.54 H new ATOM 0 HD12 ILE A 65 0.785 5.070 -10.719 1.00 1.54 H new ATOM 0 HD13 ILE A 65 -0.203 4.704 -12.153 1.00 1.54 H new ATOM 1097 N LYS A 66 -4.947 5.072 -10.315 1.00 53.30 N ATOM 1098 CA LYS A 66 -6.173 4.752 -9.585 1.00 5.20 C ATOM 1099 C LYS A 66 -6.631 3.330 -9.879 1.00 54.45 C ATOM 1100 O LYS A 66 -6.775 2.517 -8.966 1.00 22.24 O ATOM 1101 CB LYS A 66 -7.313 5.715 -9.925 1.00 72.23 C ATOM 1102 CG LYS A 66 -7.147 7.124 -9.381 1.00 15.13 C ATOM 1103 CD LYS A 66 -8.493 7.830 -9.332 1.00 12.24 C ATOM 1104 CE LYS A 66 -8.372 9.279 -8.891 1.00 23.21 C ATOM 1105 NZ LYS A 66 -7.745 10.124 -9.939 1.00 51.31 N ATOM 0 H LYS A 66 -5.017 5.883 -10.930 1.00 53.30 H new ATOM 0 HA LYS A 66 -5.933 4.851 -8.526 1.00 5.20 H new ATOM 0 HB2 LYS A 66 -7.411 5.770 -11.009 1.00 72.23 H new ATOM 0 HB3 LYS A 66 -8.245 5.301 -9.541 1.00 72.23 H new ATOM 0 HG2 LYS A 66 -6.711 7.087 -8.383 1.00 15.13 H new ATOM 0 HG3 LYS A 66 -6.456 7.686 -10.010 1.00 15.13 H new ATOM 0 HD2 LYS A 66 -8.957 7.791 -10.318 1.00 12.24 H new ATOM 0 HD3 LYS A 66 -9.154 7.299 -8.647 1.00 12.24 H new ATOM 0 HE2 LYS A 66 -9.361 9.670 -8.652 1.00 23.21 H new ATOM 0 HE3 LYS A 66 -7.779 9.333 -7.978 1.00 23.21 H new ATOM 0 HZ1 LYS A 66 -7.772 11.121 -9.643 1.00 51.31 H new ATOM 0 HZ2 LYS A 66 -6.757 9.830 -10.077 1.00 51.31 H new ATOM 0 HZ3 LYS A 66 -8.266 10.014 -10.832 1.00 51.31 H new ATOM 1119 N ARG A 67 -6.848 3.028 -11.156 1.00 33.13 N ATOM 1120 CA ARG A 67 -7.379 1.725 -11.550 1.00 14.21 C ATOM 1121 C ARG A 67 -6.381 0.610 -11.282 1.00 2.11 C ATOM 1122 O ARG A 67 -6.772 -0.529 -11.014 1.00 3.52 O ATOM 1123 CB ARG A 67 -7.785 1.714 -13.021 1.00 14.15 C ATOM 1124 CG ARG A 67 -8.975 2.602 -13.330 1.00 30.44 C ATOM 1125 CD ARG A 67 -9.706 2.122 -14.571 1.00 23.44 C ATOM 1126 NE ARG A 67 -10.222 0.762 -14.396 1.00 45.14 N ATOM 1127 CZ ARG A 67 -10.755 0.030 -15.371 1.00 70.31 C ATOM 1128 NH1 ARG A 67 -10.800 0.495 -16.614 1.00 2.13 N ATOM 1129 NH2 ARG A 67 -11.222 -1.181 -15.099 1.00 45.21 N ATOM 0 H ARG A 67 -6.666 3.664 -11.933 1.00 33.13 H new ATOM 0 HA ARG A 67 -8.265 1.547 -10.941 1.00 14.21 H new ATOM 0 HB2 ARG A 67 -6.937 2.035 -13.626 1.00 14.15 H new ATOM 0 HB3 ARG A 67 -8.019 0.691 -13.317 1.00 14.15 H new ATOM 0 HG2 ARG A 67 -9.658 2.608 -12.481 1.00 30.44 H new ATOM 0 HG3 ARG A 67 -8.639 3.628 -13.476 1.00 30.44 H new ATOM 0 HD2 ARG A 67 -10.530 2.799 -14.794 1.00 23.44 H new ATOM 0 HD3 ARG A 67 -9.031 2.149 -15.426 1.00 23.44 H new ATOM 0 HE ARG A 67 -10.169 0.349 -13.465 1.00 45.14 H new ATOM 0 HH11 ARG A 67 -10.424 1.419 -16.827 1.00 2.13 H new ATOM 0 HH12 ARG A 67 -11.210 -0.072 -17.356 1.00 2.13 H new ATOM 0 HH21 ARG A 67 -11.171 -1.545 -14.148 1.00 45.21 H new ATOM 0 HH22 ARG A 67 -11.632 -1.748 -15.841 1.00 45.21 H new ATOM 1143 N LEU A 68 -5.096 0.940 -11.343 1.00 14.20 N ATOM 1144 CA LEU A 68 -4.049 -0.030 -11.057 1.00 5.43 C ATOM 1145 C LEU A 68 -4.206 -0.526 -9.620 1.00 54.11 C ATOM 1146 O LEU A 68 -4.093 -1.720 -9.342 1.00 70.11 O ATOM 1147 CB LEU A 68 -2.664 0.608 -11.271 1.00 31.33 C ATOM 1148 CG LEU A 68 -1.528 -0.349 -11.670 1.00 31.33 C ATOM 1149 CD1 LEU A 68 -1.183 -1.300 -10.534 1.00 5.11 C ATOM 1150 CD2 LEU A 68 -1.904 -1.125 -12.926 1.00 74.42 C ATOM 0 H LEU A 68 -4.756 1.870 -11.588 1.00 14.20 H new ATOM 0 HA LEU A 68 -4.136 -0.878 -11.736 1.00 5.43 H new ATOM 0 HB2 LEU A 68 -2.755 1.372 -12.043 1.00 31.33 H new ATOM 0 HB3 LEU A 68 -2.376 1.117 -10.351 1.00 31.33 H new ATOM 0 HG LEU A 68 -0.642 0.249 -11.882 1.00 31.33 H new ATOM 0 HD11 LEU A 68 -0.377 -1.963 -10.847 1.00 5.11 H new ATOM 0 HD12 LEU A 68 -0.864 -0.727 -9.664 1.00 5.11 H new ATOM 0 HD13 LEU A 68 -2.061 -1.892 -10.276 1.00 5.11 H new ATOM 0 HD21 LEU A 68 -1.090 -1.798 -13.195 1.00 74.42 H new ATOM 0 HD22 LEU A 68 -2.807 -1.705 -12.738 1.00 74.42 H new ATOM 0 HD23 LEU A 68 -2.084 -0.428 -13.744 1.00 74.42 H new ATOM 1162 N THR A 69 -4.506 0.399 -8.720 1.00 42.13 N ATOM 1163 CA THR A 69 -4.717 0.063 -7.321 1.00 14.02 C ATOM 1164 C THR A 69 -6.189 -0.240 -7.029 1.00 25.12 C ATOM 1165 O THR A 69 -6.564 -0.542 -5.898 1.00 15.14 O ATOM 1166 CB THR A 69 -4.243 1.209 -6.411 1.00 41.40 C ATOM 1167 OG1 THR A 69 -4.827 2.447 -6.840 1.00 71.43 O ATOM 1168 CG2 THR A 69 -2.726 1.321 -6.426 1.00 11.01 C ATOM 0 H THR A 69 -4.609 1.391 -8.935 1.00 42.13 H new ATOM 0 HA THR A 69 -4.132 -0.833 -7.114 1.00 14.02 H new ATOM 0 HB THR A 69 -4.562 0.992 -5.392 1.00 41.40 H new ATOM 0 HG1 THR A 69 -5.551 2.265 -7.475 1.00 71.43 H new ATOM 0 HG21 THR A 69 -2.415 2.138 -5.775 1.00 11.01 H new ATOM 0 HG22 THR A 69 -2.289 0.388 -6.071 1.00 11.01 H new ATOM 0 HG23 THR A 69 -2.386 1.517 -7.443 1.00 11.01 H new ATOM 1176 N ARG A 70 -7.023 -0.159 -8.055 1.00 43.34 N ATOM 1177 CA ARG A 70 -8.446 -0.396 -7.890 1.00 2.03 C ATOM 1178 C ARG A 70 -8.764 -1.866 -8.120 1.00 71.31 C ATOM 1179 O ARG A 70 -9.110 -2.588 -7.186 1.00 64.34 O ATOM 1180 CB ARG A 70 -9.261 0.472 -8.856 1.00 40.14 C ATOM 1181 CG ARG A 70 -10.759 0.396 -8.623 1.00 71.12 C ATOM 1182 CD ARG A 70 -11.165 1.135 -7.358 1.00 72.20 C ATOM 1183 NE ARG A 70 -11.146 2.585 -7.544 1.00 71.02 N ATOM 1184 CZ ARG A 70 -10.695 3.457 -6.643 1.00 14.55 C ATOM 1185 NH1 ARG A 70 -10.129 3.036 -5.518 1.00 23.54 N ATOM 1186 NH2 ARG A 70 -10.792 4.757 -6.874 1.00 50.35 N ATOM 0 H ARG A 70 -6.738 0.069 -9.008 1.00 43.34 H new ATOM 0 HA ARG A 70 -8.719 -0.126 -6.870 1.00 2.03 H new ATOM 0 HB2 ARG A 70 -8.939 1.509 -8.760 1.00 40.14 H new ATOM 0 HB3 ARG A 70 -9.045 0.164 -9.879 1.00 40.14 H new ATOM 0 HG2 ARG A 70 -11.283 0.822 -9.478 1.00 71.12 H new ATOM 0 HG3 ARG A 70 -11.064 -0.648 -8.550 1.00 71.12 H new ATOM 0 HD2 ARG A 70 -12.165 0.820 -7.059 1.00 72.20 H new ATOM 0 HD3 ARG A 70 -10.489 0.864 -6.547 1.00 72.20 H new ATOM 0 HE ARG A 70 -11.503 2.955 -8.425 1.00 71.02 H new ATOM 0 HH11 ARG A 70 -10.036 2.037 -5.337 1.00 23.54 H new ATOM 0 HH12 ARG A 70 -9.787 3.712 -4.835 1.00 23.54 H new ATOM 0 HH21 ARG A 70 -11.212 5.091 -7.742 1.00 50.35 H new ATOM 0 HH22 ARG A 70 -10.447 5.425 -6.184 1.00 50.35 H new ATOM 1200 N GLU A 71 -8.597 -2.306 -9.364 1.00 60.24 N ATOM 1201 CA GLU A 71 -8.969 -3.658 -9.772 1.00 44.12 C ATOM 1202 C GLU A 71 -8.173 -4.726 -9.022 1.00 72.23 C ATOM 1203 O GLU A 71 -8.544 -5.895 -9.015 1.00 4.14 O ATOM 1204 CB GLU A 71 -8.772 -3.818 -11.281 1.00 24.32 C ATOM 1205 CG GLU A 71 -10.045 -3.624 -12.095 1.00 71.13 C ATOM 1206 CD GLU A 71 -10.742 -2.305 -11.816 1.00 32.11 C ATOM 1207 OE1 GLU A 71 -10.346 -1.277 -12.406 1.00 25.20 O ATOM 1208 OE2 GLU A 71 -11.703 -2.297 -11.017 1.00 61.53 O ATOM 0 H GLU A 71 -8.202 -1.739 -10.114 1.00 60.24 H new ATOM 0 HA GLU A 71 -10.020 -3.800 -9.521 1.00 44.12 H new ATOM 0 HB2 GLU A 71 -8.024 -3.100 -11.618 1.00 24.32 H new ATOM 0 HB3 GLU A 71 -8.372 -4.812 -11.482 1.00 24.32 H new ATOM 0 HG2 GLU A 71 -9.802 -3.681 -13.156 1.00 71.13 H new ATOM 0 HG3 GLU A 71 -10.733 -4.442 -11.881 1.00 71.13 H new ATOM 1215 N SER A 72 -7.089 -4.322 -8.389 1.00 62.12 N ATOM 1216 CA SER A 72 -6.280 -5.242 -7.614 1.00 61.24 C ATOM 1217 C SER A 72 -6.840 -5.404 -6.197 1.00 61.43 C ATOM 1218 O SER A 72 -7.304 -6.482 -5.820 1.00 32.13 O ATOM 1219 CB SER A 72 -4.838 -4.738 -7.571 1.00 71.04 C ATOM 1220 OG SER A 72 -4.803 -3.341 -7.323 1.00 64.02 O ATOM 0 H SER A 72 -6.748 -3.361 -8.396 1.00 62.12 H new ATOM 0 HA SER A 72 -6.303 -6.222 -8.091 1.00 61.24 H new ATOM 0 HB2 SER A 72 -4.286 -5.265 -6.792 1.00 71.04 H new ATOM 0 HB3 SER A 72 -4.342 -4.957 -8.517 1.00 71.04 H new ATOM 0 HG SER A 72 -4.623 -2.865 -8.160 1.00 64.02 H new ATOM 1226 N PHE A 73 -6.834 -4.311 -5.442 1.00 11.35 N ATOM 1227 CA PHE A 73 -7.177 -4.335 -4.023 1.00 33.03 C ATOM 1228 C PHE A 73 -8.642 -4.706 -3.759 1.00 30.05 C ATOM 1229 O PHE A 73 -8.941 -5.359 -2.760 1.00 23.13 O ATOM 1230 CB PHE A 73 -6.853 -2.983 -3.381 1.00 4.14 C ATOM 1231 CG PHE A 73 -5.375 -2.740 -3.216 1.00 11.02 C ATOM 1232 CD1 PHE A 73 -4.625 -2.189 -4.242 1.00 53.23 C ATOM 1233 CD2 PHE A 73 -4.737 -3.069 -2.031 1.00 11.25 C ATOM 1234 CE1 PHE A 73 -3.269 -1.969 -4.090 1.00 42.01 C ATOM 1235 CE2 PHE A 73 -3.382 -2.853 -1.873 1.00 43.14 C ATOM 1236 CZ PHE A 73 -2.647 -2.303 -2.903 1.00 2.14 C ATOM 0 H PHE A 73 -6.592 -3.385 -5.794 1.00 11.35 H new ATOM 0 HA PHE A 73 -6.571 -5.119 -3.569 1.00 33.03 H new ATOM 0 HB2 PHE A 73 -7.279 -2.187 -3.992 1.00 4.14 H new ATOM 0 HB3 PHE A 73 -7.334 -2.928 -2.405 1.00 4.14 H new ATOM 0 HD1 PHE A 73 -5.106 -1.928 -5.173 1.00 53.23 H new ATOM 0 HD2 PHE A 73 -5.306 -3.500 -1.221 1.00 11.25 H new ATOM 0 HE1 PHE A 73 -2.697 -1.537 -4.898 1.00 42.01 H new ATOM 0 HE2 PHE A 73 -2.898 -3.115 -0.944 1.00 43.14 H new ATOM 0 HZ PHE A 73 -1.587 -2.134 -2.781 1.00 2.14 H new ATOM 1246 N ARG A 74 -9.556 -4.306 -4.639 1.00 1.23 N ATOM 1247 CA ARG A 74 -10.980 -4.536 -4.383 1.00 71.11 C ATOM 1248 C ARG A 74 -11.471 -5.852 -4.991 1.00 60.54 C ATOM 1249 O ARG A 74 -12.617 -6.250 -4.783 1.00 34.31 O ATOM 1250 CB ARG A 74 -11.834 -3.343 -4.859 1.00 42.32 C ATOM 1251 CG ARG A 74 -11.841 -3.094 -6.364 1.00 41.15 C ATOM 1252 CD ARG A 74 -12.882 -3.938 -7.082 1.00 10.24 C ATOM 1253 NE ARG A 74 -12.966 -3.619 -8.509 1.00 72.31 N ATOM 1254 CZ ARG A 74 -13.990 -3.961 -9.286 1.00 44.45 C ATOM 1255 NH1 ARG A 74 -15.037 -4.594 -8.773 1.00 62.11 N ATOM 1256 NH2 ARG A 74 -13.981 -3.643 -10.571 1.00 24.41 N ATOM 0 H ARG A 74 -9.346 -3.831 -5.517 1.00 1.23 H new ATOM 0 HA ARG A 74 -11.100 -4.623 -3.303 1.00 71.11 H new ATOM 0 HB2 ARG A 74 -12.861 -3.501 -4.531 1.00 42.32 H new ATOM 0 HB3 ARG A 74 -11.475 -2.442 -4.362 1.00 42.32 H new ATOM 0 HG2 ARG A 74 -12.037 -2.039 -6.555 1.00 41.15 H new ATOM 0 HG3 ARG A 74 -10.854 -3.314 -6.771 1.00 41.15 H new ATOM 0 HD2 ARG A 74 -12.637 -4.993 -6.961 1.00 10.24 H new ATOM 0 HD3 ARG A 74 -13.856 -3.782 -6.619 1.00 10.24 H new ATOM 0 HE ARG A 74 -12.194 -3.104 -8.932 1.00 72.31 H new ATOM 0 HH11 ARG A 74 -15.059 -4.820 -7.779 1.00 62.11 H new ATOM 0 HH12 ARG A 74 -15.820 -4.854 -9.373 1.00 62.11 H new ATOM 0 HH21 ARG A 74 -13.189 -3.136 -10.965 1.00 24.41 H new ATOM 0 HH22 ARG A 74 -14.766 -3.905 -11.167 1.00 24.41 H new ATOM 1270 N LEU A 75 -10.610 -6.531 -5.738 1.00 73.22 N ATOM 1271 CA LEU A 75 -10.970 -7.825 -6.304 1.00 73.43 C ATOM 1272 C LEU A 75 -10.242 -8.951 -5.583 1.00 4.45 C ATOM 1273 O LEU A 75 -10.850 -9.957 -5.217 1.00 22.32 O ATOM 1274 CB LEU A 75 -10.678 -7.876 -7.804 1.00 71.20 C ATOM 1275 CG LEU A 75 -11.645 -7.074 -8.679 1.00 0.21 C ATOM 1276 CD1 LEU A 75 -11.256 -7.175 -10.146 1.00 1.13 C ATOM 1277 CD2 LEU A 75 -13.072 -7.560 -8.473 1.00 25.14 C ATOM 0 H LEU A 75 -9.668 -6.212 -5.964 1.00 73.22 H new ATOM 0 HA LEU A 75 -12.043 -7.959 -6.165 1.00 73.43 H new ATOM 0 HB2 LEU A 75 -9.666 -7.508 -7.975 1.00 71.20 H new ATOM 0 HB3 LEU A 75 -10.697 -8.917 -8.127 1.00 71.20 H new ATOM 0 HG LEU A 75 -11.587 -6.027 -8.382 1.00 0.21 H new ATOM 0 HD11 LEU A 75 -11.957 -6.598 -10.749 1.00 1.13 H new ATOM 0 HD12 LEU A 75 -10.249 -6.781 -10.283 1.00 1.13 H new ATOM 0 HD13 LEU A 75 -11.283 -8.219 -10.459 1.00 1.13 H new ATOM 0 HD21 LEU A 75 -13.748 -6.980 -9.102 1.00 25.14 H new ATOM 0 HD22 LEU A 75 -13.140 -8.614 -8.742 1.00 25.14 H new ATOM 0 HD23 LEU A 75 -13.352 -7.434 -7.427 1.00 25.14 H new ATOM 1289 N ARG A 76 -8.951 -8.768 -5.359 1.00 34.23 N ATOM 1290 CA ARG A 76 -8.149 -9.758 -4.660 1.00 71.11 C ATOM 1291 C ARG A 76 -8.070 -9.388 -3.177 1.00 61.13 C ATOM 1292 O ARG A 76 -6.991 -9.282 -2.594 1.00 33.04 O ATOM 1293 CB ARG A 76 -6.750 -9.824 -5.288 1.00 30.01 C ATOM 1294 CG ARG A 76 -5.894 -10.990 -4.813 1.00 52.24 C ATOM 1295 CD ARG A 76 -6.302 -12.318 -5.445 1.00 1.52 C ATOM 1296 NE ARG A 76 -7.613 -12.794 -4.996 1.00 63.40 N ATOM 1297 CZ ARG A 76 -7.795 -13.662 -3.998 1.00 75.21 C ATOM 1298 NH1 ARG A 76 -6.761 -14.094 -3.287 1.00 13.53 N ATOM 1299 NH2 ARG A 76 -9.019 -14.096 -3.715 1.00 22.30 N ATOM 0 H ARG A 76 -8.434 -7.939 -5.653 1.00 34.23 H new ATOM 0 HA ARG A 76 -8.609 -10.742 -4.748 1.00 71.11 H new ATOM 0 HB2 ARG A 76 -6.855 -9.886 -6.371 1.00 30.01 H new ATOM 0 HB3 ARG A 76 -6.225 -8.894 -5.071 1.00 30.01 H new ATOM 0 HG2 ARG A 76 -4.849 -10.787 -5.047 1.00 52.24 H new ATOM 0 HG3 ARG A 76 -5.968 -11.071 -3.729 1.00 52.24 H new ATOM 0 HD2 ARG A 76 -6.315 -12.208 -6.529 1.00 1.52 H new ATOM 0 HD3 ARG A 76 -5.550 -13.071 -5.210 1.00 1.52 H new ATOM 0 HE ARG A 76 -8.440 -12.439 -5.477 1.00 63.40 H new ATOM 0 HH11 ARG A 76 -5.820 -13.763 -3.502 1.00 13.53 H new ATOM 0 HH12 ARG A 76 -6.907 -14.757 -2.526 1.00 13.53 H new ATOM 0 HH21 ARG A 76 -9.816 -13.766 -4.260 1.00 22.30 H new ATOM 0 HH22 ARG A 76 -9.162 -14.759 -2.953 1.00 22.30 H new ATOM 1313 N GLN A 77 -9.239 -9.211 -2.573 1.00 21.33 N ATOM 1314 CA GLN A 77 -9.343 -8.734 -1.194 1.00 13.40 C ATOM 1315 C GLN A 77 -8.811 -9.761 -0.192 1.00 62.14 C ATOM 1316 O GLN A 77 -8.479 -9.419 0.939 1.00 5.41 O ATOM 1317 CB GLN A 77 -10.798 -8.367 -0.855 1.00 61.32 C ATOM 1318 CG GLN A 77 -11.747 -9.556 -0.708 1.00 34.42 C ATOM 1319 CD GLN A 77 -11.920 -10.353 -1.987 1.00 54.02 C ATOM 1320 OE1 GLN A 77 -11.189 -11.314 -2.240 1.00 64.41 O ATOM 1321 NE2 GLN A 77 -12.883 -9.959 -2.801 1.00 43.23 N ATOM 0 H GLN A 77 -10.138 -9.392 -3.020 1.00 21.33 H new ATOM 0 HA GLN A 77 -8.723 -7.841 -1.115 1.00 13.40 H new ATOM 0 HB2 GLN A 77 -10.806 -7.798 0.075 1.00 61.32 H new ATOM 0 HB3 GLN A 77 -11.182 -7.709 -1.635 1.00 61.32 H new ATOM 0 HG2 GLN A 77 -11.372 -10.216 0.074 1.00 34.42 H new ATOM 0 HG3 GLN A 77 -12.722 -9.195 -0.380 1.00 34.42 H new ATOM 0 HE21 GLN A 77 -13.465 -9.159 -2.553 1.00 43.23 H new ATOM 0 HE22 GLN A 77 -13.045 -10.455 -3.677 1.00 43.23 H new ATOM 1330 N HIS A 78 -8.720 -11.018 -0.611 1.00 10.14 N ATOM 1331 CA HIS A 78 -8.204 -12.072 0.260 1.00 5.32 C ATOM 1332 C HIS A 78 -6.678 -12.082 0.268 1.00 40.40 C ATOM 1333 O HIS A 78 -6.061 -12.934 0.900 1.00 65.21 O ATOM 1334 CB HIS A 78 -8.751 -13.443 -0.146 1.00 4.25 C ATOM 1335 CG HIS A 78 -10.092 -13.753 0.449 1.00 1.42 C ATOM 1336 ND1 HIS A 78 -10.318 -14.839 1.265 1.00 62.31 N ATOM 1337 CD2 HIS A 78 -11.283 -13.115 0.346 1.00 22.32 C ATOM 1338 CE1 HIS A 78 -11.583 -14.857 1.635 1.00 34.04 C ATOM 1339 NE2 HIS A 78 -12.194 -13.819 1.096 1.00 12.24 N ATOM 0 H HIS A 78 -8.994 -11.333 -1.542 1.00 10.14 H new ATOM 0 HA HIS A 78 -8.547 -11.858 1.272 1.00 5.32 H new ATOM 0 HB2 HIS A 78 -8.825 -13.488 -1.233 1.00 4.25 H new ATOM 0 HB3 HIS A 78 -8.041 -14.213 0.157 1.00 4.25 H new ATOM 0 HD2 HIS A 78 -11.480 -12.218 -0.222 1.00 22.32 H new ATOM 0 HE1 HIS A 78 -12.043 -15.598 2.273 1.00 34.04 H new ATOM 0 HE2 HIS A 78 -13.178 -13.579 1.216 1.00 12.24 H new ATOM 1348 N GLU A 79 -6.084 -11.125 -0.433 1.00 45.02 N ATOM 1349 CA GLU A 79 -4.640 -10.938 -0.411 1.00 63.32 C ATOM 1350 C GLU A 79 -4.302 -9.667 0.356 1.00 21.42 C ATOM 1351 O GLU A 79 -3.136 -9.266 0.451 1.00 22.22 O ATOM 1352 CB GLU A 79 -4.084 -10.831 -1.832 1.00 43.11 C ATOM 1353 CG GLU A 79 -3.090 -11.920 -2.190 1.00 51.11 C ATOM 1354 CD GLU A 79 -3.744 -13.265 -2.423 1.00 22.20 C ATOM 1355 OE1 GLU A 79 -4.205 -13.514 -3.556 1.00 5.43 O ATOM 1356 OE2 GLU A 79 -3.792 -14.083 -1.485 1.00 12.44 O ATOM 0 H GLU A 79 -6.584 -10.463 -1.027 1.00 45.02 H new ATOM 0 HA GLU A 79 -4.189 -11.801 0.078 1.00 63.32 H new ATOM 0 HB2 GLU A 79 -4.913 -10.864 -2.539 1.00 43.11 H new ATOM 0 HB3 GLU A 79 -3.602 -9.860 -1.950 1.00 43.11 H new ATOM 0 HG2 GLU A 79 -2.546 -11.627 -3.088 1.00 51.11 H new ATOM 0 HG3 GLU A 79 -2.357 -12.013 -1.389 1.00 51.11 H new ATOM 1363 N LEU A 80 -5.332 -9.034 0.898 1.00 13.42 N ATOM 1364 CA LEU A 80 -5.178 -7.755 1.561 1.00 0.12 C ATOM 1365 C LEU A 80 -5.777 -7.778 2.963 1.00 42.32 C ATOM 1366 O LEU A 80 -6.974 -8.011 3.133 1.00 12.22 O ATOM 1367 CB LEU A 80 -5.851 -6.653 0.735 1.00 74.34 C ATOM 1368 CG LEU A 80 -5.802 -5.256 1.356 1.00 11.04 C ATOM 1369 CD1 LEU A 80 -4.374 -4.731 1.383 1.00 10.01 C ATOM 1370 CD2 LEU A 80 -6.715 -4.304 0.602 1.00 14.31 C ATOM 0 H LEU A 80 -6.287 -9.391 0.889 1.00 13.42 H new ATOM 0 HA LEU A 80 -4.111 -7.551 1.649 1.00 0.12 H new ATOM 0 HB2 LEU A 80 -5.377 -6.615 -0.246 1.00 74.34 H new ATOM 0 HB3 LEU A 80 -6.894 -6.926 0.575 1.00 74.34 H new ATOM 0 HG LEU A 80 -6.157 -5.324 2.384 1.00 11.04 H new ATOM 0 HD11 LEU A 80 -4.360 -3.736 1.828 1.00 10.01 H new ATOM 0 HD12 LEU A 80 -3.751 -5.402 1.974 1.00 10.01 H new ATOM 0 HD13 LEU A 80 -3.986 -4.678 0.366 1.00 10.01 H new ATOM 0 HD21 LEU A 80 -6.667 -3.315 1.059 1.00 14.31 H new ATOM 0 HD22 LEU A 80 -6.395 -4.240 -0.438 1.00 14.31 H new ATOM 0 HD23 LEU A 80 -7.740 -4.673 0.644 1.00 14.31 H new ATOM 1382 N PRO A 81 -4.946 -7.560 3.991 1.00 53.22 N ATOM 1383 CA PRO A 81 -5.430 -7.346 5.353 1.00 1.25 C ATOM 1384 C PRO A 81 -6.282 -6.085 5.419 1.00 40.15 C ATOM 1385 O PRO A 81 -5.773 -4.976 5.246 1.00 25.25 O ATOM 1386 CB PRO A 81 -4.149 -7.184 6.181 1.00 24.25 C ATOM 1387 CG PRO A 81 -3.080 -6.852 5.194 1.00 44.00 C ATOM 1388 CD PRO A 81 -3.480 -7.521 3.911 1.00 11.52 C ATOM 0 HA PRO A 81 -6.058 -8.160 5.714 1.00 1.25 H new ATOM 0 HB2 PRO A 81 -4.258 -6.393 6.923 1.00 24.25 H new ATOM 0 HB3 PRO A 81 -3.913 -8.100 6.723 1.00 24.25 H new ATOM 0 HG2 PRO A 81 -2.993 -5.774 5.061 1.00 44.00 H new ATOM 0 HG3 PRO A 81 -2.109 -7.211 5.535 1.00 44.00 H new ATOM 0 HD2 PRO A 81 -3.140 -6.959 3.041 1.00 11.52 H new ATOM 0 HD3 PRO A 81 -3.055 -8.521 3.830 1.00 11.52 H new ATOM 1396 N ALA A 82 -7.581 -6.264 5.625 1.00 34.44 N ATOM 1397 CA ALA A 82 -8.520 -5.149 5.628 1.00 15.31 C ATOM 1398 C ALA A 82 -8.272 -4.204 6.799 1.00 44.22 C ATOM 1399 O ALA A 82 -8.753 -4.430 7.915 1.00 21.24 O ATOM 1400 CB ALA A 82 -9.949 -5.666 5.640 1.00 44.31 C ATOM 0 H ALA A 82 -8.009 -7.174 5.793 1.00 34.44 H new ATOM 0 HA ALA A 82 -8.362 -4.576 4.714 1.00 15.31 H new ATOM 0 HB1 ALA A 82 -10.641 -4.824 5.642 1.00 44.31 H new ATOM 0 HB2 ALA A 82 -10.123 -6.276 4.753 1.00 44.31 H new ATOM 0 HB3 ALA A 82 -10.110 -6.270 6.533 1.00 44.31 H new ATOM 1406 N MET A 83 -7.509 -3.157 6.527 1.00 74.35 N ATOM 1407 CA MET A 83 -7.165 -2.152 7.521 1.00 43.43 C ATOM 1408 C MET A 83 -6.944 -0.810 6.832 1.00 75.41 C ATOM 1409 O MET A 83 -7.030 -0.718 5.603 1.00 5.42 O ATOM 1410 CB MET A 83 -5.899 -2.568 8.274 1.00 34.42 C ATOM 1411 CG MET A 83 -4.695 -2.759 7.362 1.00 4.34 C ATOM 1412 SD MET A 83 -3.235 -3.365 8.233 1.00 55.21 S ATOM 1413 CE MET A 83 -2.089 -3.524 6.866 1.00 12.20 C ATOM 0 H MET A 83 -7.109 -2.979 5.606 1.00 74.35 H new ATOM 0 HA MET A 83 -7.983 -2.060 8.236 1.00 43.43 H new ATOM 0 HB2 MET A 83 -5.664 -1.811 9.022 1.00 34.42 H new ATOM 0 HB3 MET A 83 -6.092 -3.497 8.810 1.00 34.42 H new ATOM 0 HG2 MET A 83 -4.955 -3.461 6.569 1.00 4.34 H new ATOM 0 HG3 MET A 83 -4.456 -1.810 6.882 1.00 4.34 H new ATOM 0 HE1 MET A 83 -1.104 -3.174 7.174 1.00 12.20 H new ATOM 0 HE2 MET A 83 -2.025 -4.570 6.565 1.00 12.20 H new ATOM 0 HE3 MET A 83 -2.440 -2.925 6.025 1.00 12.20 H new ATOM 1423 N ASP A 84 -6.688 0.228 7.614 1.00 1.43 N ATOM 1424 CA ASP A 84 -6.313 1.523 7.062 1.00 0.33 C ATOM 1425 C ASP A 84 -4.809 1.548 6.835 1.00 31.14 C ATOM 1426 O ASP A 84 -4.034 1.412 7.782 1.00 12.25 O ATOM 1427 CB ASP A 84 -6.711 2.668 8.006 1.00 20.13 C ATOM 1428 CG ASP A 84 -8.204 2.738 8.264 1.00 43.44 C ATOM 1429 OD1 ASP A 84 -8.706 1.932 9.070 1.00 64.43 O ATOM 1430 OD2 ASP A 84 -8.885 3.603 7.661 1.00 71.43 O ATOM 0 H ASP A 84 -6.733 0.200 8.633 1.00 1.43 H new ATOM 0 HA ASP A 84 -6.841 1.665 6.119 1.00 0.33 H new ATOM 0 HB2 ASP A 84 -6.190 2.545 8.956 1.00 20.13 H new ATOM 0 HB3 ASP A 84 -6.378 3.614 7.580 1.00 20.13 H new ATOM 1435 N PHE A 85 -4.393 1.694 5.587 1.00 51.22 N ATOM 1436 CA PHE A 85 -2.974 1.681 5.257 1.00 14.43 C ATOM 1437 C PHE A 85 -2.665 2.705 4.173 1.00 64.22 C ATOM 1438 O PHE A 85 -3.561 3.144 3.449 1.00 2.44 O ATOM 1439 CB PHE A 85 -2.536 0.279 4.806 1.00 33.30 C ATOM 1440 CG PHE A 85 -3.239 -0.219 3.571 1.00 34.41 C ATOM 1441 CD1 PHE A 85 -4.484 -0.822 3.659 1.00 64.32 C ATOM 1442 CD2 PHE A 85 -2.653 -0.080 2.321 1.00 51.53 C ATOM 1443 CE1 PHE A 85 -5.131 -1.276 2.528 1.00 14.32 C ATOM 1444 CE2 PHE A 85 -3.298 -0.533 1.186 1.00 11.35 C ATOM 1445 CZ PHE A 85 -4.537 -1.130 1.288 1.00 72.21 C ATOM 0 H PHE A 85 -5.014 1.822 4.788 1.00 51.22 H new ATOM 0 HA PHE A 85 -2.414 1.947 6.154 1.00 14.43 H new ATOM 0 HB2 PHE A 85 -1.462 0.288 4.620 1.00 33.30 H new ATOM 0 HB3 PHE A 85 -2.713 -0.424 5.620 1.00 33.30 H new ATOM 0 HD1 PHE A 85 -4.953 -0.938 4.625 1.00 64.32 H new ATOM 0 HD2 PHE A 85 -1.683 0.387 2.234 1.00 51.53 H new ATOM 0 HE1 PHE A 85 -6.100 -1.745 2.611 1.00 14.32 H new ATOM 0 HE2 PHE A 85 -2.832 -0.419 0.219 1.00 11.35 H new ATOM 0 HZ PHE A 85 -5.042 -1.483 0.401 1.00 72.21 H new ATOM 1455 N VAL A 86 -1.397 3.073 4.055 1.00 3.22 N ATOM 1456 CA VAL A 86 -0.985 4.084 3.095 1.00 14.02 C ATOM 1457 C VAL A 86 -0.134 3.472 1.981 1.00 21.33 C ATOM 1458 O VAL A 86 0.770 2.672 2.233 1.00 73.24 O ATOM 1459 CB VAL A 86 -0.218 5.243 3.783 1.00 63.42 C ATOM 1460 CG1 VAL A 86 0.981 4.727 4.568 1.00 73.52 C ATOM 1461 CG2 VAL A 86 0.219 6.287 2.765 1.00 24.33 C ATOM 0 H VAL A 86 -0.636 2.686 4.613 1.00 3.22 H new ATOM 0 HA VAL A 86 -1.892 4.495 2.651 1.00 14.02 H new ATOM 0 HB VAL A 86 -0.902 5.716 4.488 1.00 63.42 H new ATOM 0 HG11 VAL A 86 1.496 5.565 5.038 1.00 73.52 H new ATOM 0 HG12 VAL A 86 0.641 4.033 5.337 1.00 73.52 H new ATOM 0 HG13 VAL A 86 1.665 4.213 3.892 1.00 73.52 H new ATOM 0 HG21 VAL A 86 0.755 7.089 3.273 1.00 24.33 H new ATOM 0 HG22 VAL A 86 0.874 5.824 2.027 1.00 24.33 H new ATOM 0 HG23 VAL A 86 -0.658 6.697 2.265 1.00 24.33 H new ATOM 1471 N VAL A 87 -0.447 3.839 0.749 1.00 32.05 N ATOM 1472 CA VAL A 87 0.311 3.386 -0.402 1.00 53.12 C ATOM 1473 C VAL A 87 1.100 4.549 -0.984 1.00 40.40 C ATOM 1474 O VAL A 87 0.527 5.458 -1.586 1.00 41.14 O ATOM 1475 CB VAL A 87 -0.607 2.798 -1.495 1.00 23.32 C ATOM 1476 CG1 VAL A 87 0.213 2.256 -2.657 1.00 25.13 C ATOM 1477 CG2 VAL A 87 -1.504 1.715 -0.917 1.00 44.33 C ATOM 0 H VAL A 87 -1.228 4.455 0.521 1.00 32.05 H new ATOM 0 HA VAL A 87 0.987 2.600 -0.066 1.00 53.12 H new ATOM 0 HB VAL A 87 -1.241 3.600 -1.874 1.00 23.32 H new ATOM 0 HG11 VAL A 87 -0.456 1.847 -3.415 1.00 25.13 H new ATOM 0 HG12 VAL A 87 0.805 3.062 -3.092 1.00 25.13 H new ATOM 0 HG13 VAL A 87 0.878 1.471 -2.298 1.00 25.13 H new ATOM 0 HG21 VAL A 87 -2.143 1.314 -1.704 1.00 44.33 H new ATOM 0 HG22 VAL A 87 -0.889 0.915 -0.505 1.00 44.33 H new ATOM 0 HG23 VAL A 87 -2.124 2.139 -0.127 1.00 44.33 H new ATOM 1487 N VAL A 88 2.407 4.533 -0.785 1.00 25.25 N ATOM 1488 CA VAL A 88 3.259 5.611 -1.255 1.00 70.42 C ATOM 1489 C VAL A 88 3.867 5.260 -2.607 1.00 23.10 C ATOM 1490 O VAL A 88 4.705 4.360 -2.711 1.00 60.25 O ATOM 1491 CB VAL A 88 4.392 5.922 -0.252 1.00 60.24 C ATOM 1492 CG1 VAL A 88 5.218 7.107 -0.726 1.00 25.24 C ATOM 1493 CG2 VAL A 88 3.827 6.183 1.136 1.00 63.14 C ATOM 0 H VAL A 88 2.901 3.784 -0.300 1.00 25.25 H new ATOM 0 HA VAL A 88 2.632 6.497 -1.353 1.00 70.42 H new ATOM 0 HB VAL A 88 5.045 5.051 -0.196 1.00 60.24 H new ATOM 0 HG11 VAL A 88 6.010 7.310 -0.006 1.00 25.24 H new ATOM 0 HG12 VAL A 88 5.659 6.878 -1.696 1.00 25.24 H new ATOM 0 HG13 VAL A 88 4.577 7.984 -0.817 1.00 25.24 H new ATOM 0 HG21 VAL A 88 4.643 6.400 1.826 1.00 63.14 H new ATOM 0 HG22 VAL A 88 3.148 7.035 1.098 1.00 63.14 H new ATOM 0 HG23 VAL A 88 3.285 5.302 1.480 1.00 63.14 H new ATOM 1503 N ALA A 89 3.429 5.958 -3.642 1.00 53.10 N ATOM 1504 CA ALA A 89 3.970 5.755 -4.975 1.00 42.11 C ATOM 1505 C ALA A 89 5.239 6.579 -5.152 1.00 41.03 C ATOM 1506 O ALA A 89 5.248 7.783 -4.898 1.00 43.01 O ATOM 1507 CB ALA A 89 2.935 6.123 -6.033 1.00 40.43 C ATOM 0 H ALA A 89 2.701 6.670 -3.584 1.00 53.10 H new ATOM 0 HA ALA A 89 4.219 4.701 -5.098 1.00 42.11 H new ATOM 0 HB1 ALA A 89 3.357 5.965 -7.025 1.00 40.43 H new ATOM 0 HB2 ALA A 89 2.051 5.497 -5.911 1.00 40.43 H new ATOM 0 HB3 ALA A 89 2.656 7.171 -5.920 1.00 40.43 H new ATOM 1513 N LYS A 90 6.311 5.923 -5.564 1.00 63.50 N ATOM 1514 CA LYS A 90 7.576 6.600 -5.812 1.00 64.15 C ATOM 1515 C LYS A 90 7.633 7.038 -7.272 1.00 71.33 C ATOM 1516 O LYS A 90 6.631 6.961 -7.989 1.00 72.31 O ATOM 1517 CB LYS A 90 8.748 5.662 -5.506 1.00 34.02 C ATOM 1518 CG LYS A 90 8.696 5.020 -4.125 1.00 2.12 C ATOM 1519 CD LYS A 90 9.063 5.994 -3.019 1.00 52.34 C ATOM 1520 CE LYS A 90 9.100 5.294 -1.668 1.00 41.23 C ATOM 1521 NZ LYS A 90 9.624 6.176 -0.593 1.00 15.34 N ATOM 0 H LYS A 90 6.332 4.918 -5.735 1.00 63.50 H new ATOM 0 HA LYS A 90 7.649 7.473 -5.163 1.00 64.15 H new ATOM 0 HB2 LYS A 90 8.773 4.874 -6.259 1.00 34.02 H new ATOM 0 HB3 LYS A 90 9.679 6.221 -5.599 1.00 34.02 H new ATOM 0 HG2 LYS A 90 7.693 4.632 -3.945 1.00 2.12 H new ATOM 0 HG3 LYS A 90 9.377 4.169 -4.097 1.00 2.12 H new ATOM 0 HD2 LYS A 90 10.036 6.439 -3.229 1.00 52.34 H new ATOM 0 HD3 LYS A 90 8.339 6.808 -2.991 1.00 52.34 H new ATOM 0 HE2 LYS A 90 8.096 4.961 -1.405 1.00 41.23 H new ATOM 0 HE3 LYS A 90 9.723 4.402 -1.740 1.00 41.23 H new ATOM 0 HZ1 LYS A 90 9.631 5.658 0.309 1.00 15.34 H new ATOM 0 HZ2 LYS A 90 10.592 6.473 -0.829 1.00 15.34 H new ATOM 0 HZ3 LYS A 90 9.016 7.015 -0.505 1.00 15.34 H new ATOM 1535 N LYS A 91 8.793 7.498 -7.722 1.00 21.14 N ATOM 1536 CA LYS A 91 8.956 7.863 -9.118 1.00 13.23 C ATOM 1537 C LYS A 91 9.496 6.669 -9.894 1.00 10.41 C ATOM 1538 O LYS A 91 10.672 6.322 -9.789 1.00 24.01 O ATOM 1539 CB LYS A 91 9.881 9.076 -9.273 1.00 65.10 C ATOM 1540 CG LYS A 91 9.820 9.709 -10.656 1.00 15.12 C ATOM 1541 CD LYS A 91 10.666 10.971 -10.746 1.00 43.53 C ATOM 1542 CE LYS A 91 12.154 10.664 -10.686 1.00 74.42 C ATOM 1543 NZ LYS A 91 12.609 9.884 -11.868 1.00 22.25 N ATOM 0 H LYS A 91 9.625 7.625 -7.146 1.00 21.14 H new ATOM 0 HA LYS A 91 7.983 8.144 -9.522 1.00 13.23 H new ATOM 0 HB2 LYS A 91 9.615 9.825 -8.527 1.00 65.10 H new ATOM 0 HB3 LYS A 91 10.907 8.770 -9.066 1.00 65.10 H new ATOM 0 HG2 LYS A 91 10.163 8.989 -11.399 1.00 15.12 H new ATOM 0 HG3 LYS A 91 8.785 9.949 -10.899 1.00 15.12 H new ATOM 0 HD2 LYS A 91 10.441 11.493 -11.676 1.00 43.53 H new ATOM 0 HD3 LYS A 91 10.401 11.644 -9.930 1.00 43.53 H new ATOM 0 HE2 LYS A 91 12.715 11.597 -10.629 1.00 74.42 H new ATOM 0 HE3 LYS A 91 12.373 10.105 -9.776 1.00 74.42 H new ATOM 0 HZ1 LYS A 91 13.647 9.912 -11.924 1.00 22.25 H new ATOM 0 HZ2 LYS A 91 12.294 8.897 -11.775 1.00 22.25 H new ATOM 0 HZ3 LYS A 91 12.205 10.297 -12.733 1.00 22.25 H new ATOM 1557 N GLY A 92 8.620 6.031 -10.652 1.00 5.14 N ATOM 1558 CA GLY A 92 9.000 4.858 -11.415 1.00 41.00 C ATOM 1559 C GLY A 92 7.808 4.244 -12.117 1.00 21.20 C ATOM 1560 O GLY A 92 7.911 3.787 -13.252 1.00 73.52 O ATOM 0 H GLY A 92 7.643 6.306 -10.754 1.00 5.14 H new ATOM 0 HA2 GLY A 92 9.757 5.130 -12.151 1.00 41.00 H new ATOM 0 HA3 GLY A 92 9.452 4.121 -10.751 1.00 41.00 H new ATOM 1564 N VAL A 93 6.665 4.263 -11.442 1.00 1.12 N ATOM 1565 CA VAL A 93 5.428 3.724 -11.999 1.00 62.33 C ATOM 1566 C VAL A 93 4.721 4.791 -12.850 1.00 41.21 C ATOM 1567 O VAL A 93 3.598 4.604 -13.317 1.00 63.50 O ATOM 1568 CB VAL A 93 4.491 3.225 -10.866 1.00 4.34 C ATOM 1569 CG1 VAL A 93 3.937 4.388 -10.055 1.00 23.22 C ATOM 1570 CG2 VAL A 93 3.365 2.355 -11.414 1.00 33.41 C ATOM 0 H VAL A 93 6.568 4.648 -10.502 1.00 1.12 H new ATOM 0 HA VAL A 93 5.675 2.875 -12.637 1.00 62.33 H new ATOM 0 HB VAL A 93 5.090 2.607 -10.198 1.00 4.34 H new ATOM 0 HG11 VAL A 93 3.285 4.006 -9.270 1.00 23.22 H new ATOM 0 HG12 VAL A 93 4.760 4.943 -9.605 1.00 23.22 H new ATOM 0 HG13 VAL A 93 3.369 5.049 -10.709 1.00 23.22 H new ATOM 0 HG21 VAL A 93 2.729 2.024 -10.593 1.00 33.41 H new ATOM 0 HG22 VAL A 93 2.771 2.932 -12.123 1.00 33.41 H new ATOM 0 HG23 VAL A 93 3.789 1.486 -11.918 1.00 33.41 H new ATOM 1580 N ALA A 94 5.408 5.905 -13.065 1.00 2.22 N ATOM 1581 CA ALA A 94 4.839 7.020 -13.807 1.00 65.41 C ATOM 1582 C ALA A 94 5.074 6.856 -15.302 1.00 34.25 C ATOM 1583 O ALA A 94 4.334 7.405 -16.121 1.00 11.44 O ATOM 1584 CB ALA A 94 5.429 8.334 -13.318 1.00 24.34 C ATOM 0 H ALA A 94 6.361 6.060 -12.735 1.00 2.22 H new ATOM 0 HA ALA A 94 3.763 7.032 -13.633 1.00 65.41 H new ATOM 0 HB1 ALA A 94 4.995 9.160 -13.881 1.00 24.34 H new ATOM 0 HB2 ALA A 94 5.206 8.461 -12.259 1.00 24.34 H new ATOM 0 HB3 ALA A 94 6.509 8.324 -13.463 1.00 24.34 H new ATOM 1590 N ASP A 95 6.106 6.102 -15.651 1.00 51.03 N ATOM 1591 CA ASP A 95 6.447 5.864 -17.045 1.00 14.12 C ATOM 1592 C ASP A 95 7.056 4.480 -17.217 1.00 24.54 C ATOM 1593 O ASP A 95 8.225 4.257 -16.894 1.00 22.53 O ATOM 1594 CB ASP A 95 7.422 6.933 -17.548 1.00 65.12 C ATOM 1595 CG ASP A 95 7.834 6.716 -18.993 1.00 12.30 C ATOM 1596 OD1 ASP A 95 7.088 7.140 -19.900 1.00 25.32 O ATOM 1597 OD2 ASP A 95 8.912 6.122 -19.227 1.00 30.53 O ATOM 0 H ASP A 95 6.725 5.642 -14.983 1.00 51.03 H new ATOM 0 HA ASP A 95 5.532 5.919 -17.635 1.00 14.12 H new ATOM 0 HB2 ASP A 95 6.960 7.915 -17.450 1.00 65.12 H new ATOM 0 HB3 ASP A 95 8.311 6.934 -16.917 1.00 65.12 H new ATOM 1602 N LEU A 96 6.251 3.552 -17.708 1.00 72.12 N ATOM 1603 CA LEU A 96 6.692 2.185 -17.947 1.00 31.41 C ATOM 1604 C LEU A 96 6.009 1.632 -19.185 1.00 64.15 C ATOM 1605 O LEU A 96 5.086 2.249 -19.717 1.00 14.43 O ATOM 1606 CB LEU A 96 6.372 1.283 -16.749 1.00 53.11 C ATOM 1607 CG LEU A 96 7.227 1.501 -15.501 1.00 62.35 C ATOM 1608 CD1 LEU A 96 6.721 0.636 -14.357 1.00 14.04 C ATOM 1609 CD2 LEU A 96 8.688 1.189 -15.794 1.00 73.31 C ATOM 0 H LEU A 96 5.276 3.723 -17.952 1.00 72.12 H new ATOM 0 HA LEU A 96 7.772 2.200 -18.093 1.00 31.41 H new ATOM 0 HB2 LEU A 96 5.326 1.428 -16.479 1.00 53.11 H new ATOM 0 HB3 LEU A 96 6.479 0.244 -17.062 1.00 53.11 H new ATOM 0 HG LEU A 96 7.150 2.548 -15.208 1.00 62.35 H new ATOM 0 HD11 LEU A 96 7.339 0.801 -13.475 1.00 14.04 H new ATOM 0 HD12 LEU A 96 5.688 0.900 -14.131 1.00 14.04 H new ATOM 0 HD13 LEU A 96 6.773 -0.414 -14.644 1.00 14.04 H new ATOM 0 HD21 LEU A 96 9.282 1.350 -14.894 1.00 73.31 H new ATOM 0 HD22 LEU A 96 8.782 0.150 -16.110 1.00 73.31 H new ATOM 0 HD23 LEU A 96 9.048 1.844 -16.588 1.00 73.31 H new ATOM 1621 N ASP A 97 6.469 0.479 -19.645 1.00 54.44 N ATOM 1622 CA ASP A 97 5.819 -0.208 -20.752 1.00 22.42 C ATOM 1623 C ASP A 97 4.543 -0.877 -20.275 1.00 61.22 C ATOM 1624 O ASP A 97 4.372 -1.114 -19.077 1.00 3.42 O ATOM 1625 CB ASP A 97 6.742 -1.251 -21.380 1.00 44.10 C ATOM 1626 CG ASP A 97 7.740 -0.647 -22.340 1.00 73.44 C ATOM 1627 OD1 ASP A 97 7.395 -0.468 -23.527 1.00 13.31 O ATOM 1628 OD2 ASP A 97 8.879 -0.355 -21.918 1.00 52.22 O ATOM 0 H ASP A 97 7.288 -0.000 -19.271 1.00 54.44 H new ATOM 0 HA ASP A 97 5.579 0.537 -21.511 1.00 22.42 H new ATOM 0 HB2 ASP A 97 7.277 -1.778 -20.590 1.00 44.10 H new ATOM 0 HB3 ASP A 97 6.140 -1.992 -21.907 1.00 44.10 H new ATOM 1633 N ASN A 98 3.670 -1.208 -21.217 1.00 71.50 N ATOM 1634 CA ASN A 98 2.356 -1.761 -20.899 1.00 22.11 C ATOM 1635 C ASN A 98 2.483 -3.077 -20.135 1.00 41.51 C ATOM 1636 O ASN A 98 1.762 -3.319 -19.167 1.00 53.41 O ATOM 1637 CB ASN A 98 1.541 -1.962 -22.184 1.00 42.21 C ATOM 1638 CG ASN A 98 0.100 -2.362 -21.913 1.00 63.55 C ATOM 1639 OD1 ASN A 98 -0.463 -2.034 -20.871 1.00 54.11 O ATOM 1640 ND2 ASN A 98 -0.515 -3.053 -22.861 1.00 14.23 N ATOM 0 H ASN A 98 3.848 -1.103 -22.216 1.00 71.50 H new ATOM 0 HA ASN A 98 1.834 -1.051 -20.258 1.00 22.11 H new ATOM 0 HB2 ASN A 98 1.554 -1.040 -22.765 1.00 42.21 H new ATOM 0 HB3 ASN A 98 2.017 -2.729 -22.794 1.00 42.21 H new ATOM 0 HD21 ASN A 98 -1.489 -3.331 -22.739 1.00 14.23 H new ATOM 0 HD22 ASN A 98 -0.015 -3.307 -23.713 1.00 14.23 H new ATOM 1647 N ARG A 99 3.414 -3.920 -20.556 1.00 33.14 N ATOM 1648 CA ARG A 99 3.632 -5.192 -19.881 1.00 33.15 C ATOM 1649 C ARG A 99 4.453 -4.994 -18.610 1.00 33.21 C ATOM 1650 O ARG A 99 4.255 -5.694 -17.622 1.00 34.52 O ATOM 1651 CB ARG A 99 4.311 -6.196 -20.819 1.00 40.24 C ATOM 1652 CG ARG A 99 4.648 -7.523 -20.153 1.00 53.34 C ATOM 1653 CD ARG A 99 4.917 -8.617 -21.176 1.00 21.33 C ATOM 1654 NE ARG A 99 3.698 -8.994 -21.897 1.00 44.44 N ATOM 1655 CZ ARG A 99 3.322 -10.253 -22.123 1.00 21.13 C ATOM 1656 NH1 ARG A 99 4.112 -11.262 -21.779 1.00 43.43 N ATOM 1657 NH2 ARG A 99 2.157 -10.498 -22.712 1.00 13.10 N ATOM 0 H ARG A 99 4.026 -3.750 -21.354 1.00 33.14 H new ATOM 0 HA ARG A 99 2.661 -5.598 -19.598 1.00 33.15 H new ATOM 0 HB2 ARG A 99 3.658 -6.383 -21.671 1.00 40.24 H new ATOM 0 HB3 ARG A 99 5.227 -5.753 -21.210 1.00 40.24 H new ATOM 0 HG2 ARG A 99 5.524 -7.398 -19.516 1.00 53.34 H new ATOM 0 HG3 ARG A 99 3.824 -7.825 -19.506 1.00 53.34 H new ATOM 0 HD2 ARG A 99 5.669 -8.274 -21.887 1.00 21.33 H new ATOM 0 HD3 ARG A 99 5.329 -9.492 -20.674 1.00 21.33 H new ATOM 0 HE ARG A 99 3.100 -8.246 -22.248 1.00 44.44 H new ATOM 0 HH11 ARG A 99 5.013 -11.077 -21.339 1.00 43.43 H new ATOM 0 HH12 ARG A 99 3.818 -12.223 -21.955 1.00 43.43 H new ATOM 0 HH21 ARG A 99 1.553 -9.724 -22.990 1.00 13.10 H new ATOM 0 HH22 ARG A 99 1.866 -11.460 -22.887 1.00 13.10 H new ATOM 1671 N ALA A 100 5.347 -4.011 -18.636 1.00 21.10 N ATOM 1672 CA ALA A 100 6.202 -3.719 -17.489 1.00 2.22 C ATOM 1673 C ALA A 100 5.379 -3.333 -16.266 1.00 22.23 C ATOM 1674 O ALA A 100 5.574 -3.876 -15.181 1.00 60.41 O ATOM 1675 CB ALA A 100 7.189 -2.613 -17.831 1.00 24.44 C ATOM 0 H ALA A 100 5.499 -3.402 -19.440 1.00 21.10 H new ATOM 0 HA ALA A 100 6.756 -4.626 -17.247 1.00 2.22 H new ATOM 0 HB1 ALA A 100 7.819 -2.407 -16.966 1.00 24.44 H new ATOM 0 HB2 ALA A 100 7.813 -2.928 -18.667 1.00 24.44 H new ATOM 0 HB3 ALA A 100 6.643 -1.710 -18.105 1.00 24.44 H new ATOM 1681 N LEU A 101 4.444 -2.408 -16.443 1.00 23.11 N ATOM 1682 CA LEU A 101 3.604 -1.967 -15.335 1.00 40.55 C ATOM 1683 C LEU A 101 2.572 -3.034 -14.974 1.00 70.21 C ATOM 1684 O LEU A 101 1.995 -3.013 -13.889 1.00 34.40 O ATOM 1685 CB LEU A 101 2.930 -0.621 -15.660 1.00 71.12 C ATOM 1686 CG LEU A 101 2.106 -0.556 -16.956 1.00 54.34 C ATOM 1687 CD1 LEU A 101 0.715 -1.144 -16.764 1.00 14.32 C ATOM 1688 CD2 LEU A 101 2.008 0.879 -17.448 1.00 51.03 C ATOM 0 H LEU A 101 4.249 -1.952 -17.334 1.00 23.11 H new ATOM 0 HA LEU A 101 4.242 -1.817 -14.464 1.00 40.55 H new ATOM 0 HB2 LEU A 101 2.277 -0.358 -14.828 1.00 71.12 H new ATOM 0 HB3 LEU A 101 3.705 0.144 -15.711 1.00 71.12 H new ATOM 0 HG LEU A 101 2.620 -1.156 -17.707 1.00 54.34 H new ATOM 0 HD11 LEU A 101 0.161 -1.081 -17.701 1.00 14.32 H new ATOM 0 HD12 LEU A 101 0.800 -2.188 -16.462 1.00 14.32 H new ATOM 0 HD13 LEU A 101 0.187 -0.585 -15.992 1.00 14.32 H new ATOM 0 HD21 LEU A 101 1.422 0.910 -18.366 1.00 51.03 H new ATOM 0 HD22 LEU A 101 1.524 1.492 -16.688 1.00 51.03 H new ATOM 0 HD23 LEU A 101 3.008 1.266 -17.643 1.00 51.03 H new ATOM 1700 N SER A 102 2.357 -3.975 -15.887 1.00 74.42 N ATOM 1701 CA SER A 102 1.421 -5.060 -15.650 1.00 41.42 C ATOM 1702 C SER A 102 2.061 -6.124 -14.763 1.00 1.20 C ATOM 1703 O SER A 102 1.446 -6.598 -13.808 1.00 10.33 O ATOM 1704 CB SER A 102 0.962 -5.673 -16.979 1.00 44.42 C ATOM 1705 OG SER A 102 -0.056 -6.640 -16.776 1.00 74.12 O ATOM 0 H SER A 102 2.819 -4.006 -16.796 1.00 74.42 H new ATOM 0 HA SER A 102 0.546 -4.660 -15.137 1.00 41.42 H new ATOM 0 HB2 SER A 102 0.593 -4.886 -17.637 1.00 44.42 H new ATOM 0 HB3 SER A 102 1.812 -6.136 -17.481 1.00 44.42 H new ATOM 0 HG SER A 102 -0.330 -7.013 -17.640 1.00 74.12 H new ATOM 1711 N GLU A 103 3.306 -6.485 -15.066 1.00 30.10 N ATOM 1712 CA GLU A 103 4.016 -7.486 -14.282 1.00 72.11 C ATOM 1713 C GLU A 103 4.443 -6.913 -12.937 1.00 73.23 C ATOM 1714 O GLU A 103 4.581 -7.644 -11.963 1.00 52.12 O ATOM 1715 CB GLU A 103 5.229 -8.032 -15.044 1.00 44.12 C ATOM 1716 CG GLU A 103 6.217 -6.966 -15.481 1.00 13.11 C ATOM 1717 CD GLU A 103 7.426 -7.548 -16.179 1.00 45.42 C ATOM 1718 OE1 GLU A 103 7.255 -8.234 -17.207 1.00 31.20 O ATOM 1719 OE2 GLU A 103 8.557 -7.321 -15.705 1.00 53.22 O ATOM 0 H GLU A 103 3.840 -6.100 -15.845 1.00 30.10 H new ATOM 0 HA GLU A 103 3.331 -8.315 -14.103 1.00 72.11 H new ATOM 0 HB2 GLU A 103 5.746 -8.755 -14.413 1.00 44.12 H new ATOM 0 HB3 GLU A 103 4.879 -8.571 -15.925 1.00 44.12 H new ATOM 0 HG2 GLU A 103 5.718 -6.265 -16.150 1.00 13.11 H new ATOM 0 HG3 GLU A 103 6.543 -6.398 -14.610 1.00 13.11 H new ATOM 1726 N ALA A 104 4.628 -5.598 -12.879 1.00 42.54 N ATOM 1727 CA ALA A 104 4.967 -4.929 -11.629 1.00 54.14 C ATOM 1728 C ALA A 104 3.904 -5.201 -10.567 1.00 32.21 C ATOM 1729 O ALA A 104 4.204 -5.291 -9.375 1.00 31.13 O ATOM 1730 CB ALA A 104 5.125 -3.434 -11.854 1.00 14.05 C ATOM 0 H ALA A 104 4.549 -4.975 -13.683 1.00 42.54 H new ATOM 0 HA ALA A 104 5.917 -5.328 -11.272 1.00 54.14 H new ATOM 0 HB1 ALA A 104 5.378 -2.949 -10.911 1.00 14.05 H new ATOM 0 HB2 ALA A 104 5.920 -3.257 -12.578 1.00 14.05 H new ATOM 0 HB3 ALA A 104 4.190 -3.022 -12.234 1.00 14.05 H new ATOM 1736 N LEU A 105 2.665 -5.359 -11.016 1.00 4.33 N ATOM 1737 CA LEU A 105 1.556 -5.644 -10.119 1.00 4.13 C ATOM 1738 C LEU A 105 1.669 -7.051 -9.535 1.00 32.41 C ATOM 1739 O LEU A 105 1.370 -7.267 -8.360 1.00 3.13 O ATOM 1740 CB LEU A 105 0.228 -5.479 -10.863 1.00 72.21 C ATOM 1741 CG LEU A 105 -1.031 -5.700 -10.017 1.00 63.31 C ATOM 1742 CD1 LEU A 105 -1.095 -4.700 -8.870 1.00 24.14 C ATOM 1743 CD2 LEU A 105 -2.277 -5.599 -10.884 1.00 30.43 C ATOM 0 H LEU A 105 2.404 -5.294 -12.000 1.00 4.33 H new ATOM 0 HA LEU A 105 1.592 -4.935 -9.292 1.00 4.13 H new ATOM 0 HB2 LEU A 105 0.190 -4.475 -11.285 1.00 72.21 H new ATOM 0 HB3 LEU A 105 0.210 -6.178 -11.700 1.00 72.21 H new ATOM 0 HG LEU A 105 -0.985 -6.702 -9.591 1.00 63.31 H new ATOM 0 HD11 LEU A 105 -1.997 -4.876 -8.284 1.00 24.14 H new ATOM 0 HD12 LEU A 105 -0.219 -4.820 -8.233 1.00 24.14 H new ATOM 0 HD13 LEU A 105 -1.115 -3.687 -9.271 1.00 24.14 H new ATOM 0 HD21 LEU A 105 -3.162 -5.758 -10.269 1.00 30.43 H new ATOM 0 HD22 LEU A 105 -2.324 -4.610 -11.339 1.00 30.43 H new ATOM 0 HD23 LEU A 105 -2.238 -6.357 -11.667 1.00 30.43 H new ATOM 1755 N GLU A 106 2.122 -8.007 -10.342 1.00 31.41 N ATOM 1756 CA GLU A 106 2.231 -9.385 -9.874 1.00 30.51 C ATOM 1757 C GLU A 106 3.401 -9.518 -8.908 1.00 74.42 C ATOM 1758 O GLU A 106 3.422 -10.422 -8.070 1.00 41.51 O ATOM 1759 CB GLU A 106 2.358 -10.377 -11.047 1.00 11.30 C ATOM 1760 CG GLU A 106 3.748 -10.482 -11.670 1.00 4.15 C ATOM 1761 CD GLU A 106 4.531 -11.690 -11.184 1.00 52.21 C ATOM 1762 OE1 GLU A 106 4.216 -12.818 -11.611 1.00 42.30 O ATOM 1763 OE2 GLU A 106 5.478 -11.524 -10.388 1.00 43.42 O ATOM 0 H GLU A 106 2.415 -7.857 -11.307 1.00 31.41 H new ATOM 0 HA GLU A 106 1.312 -9.638 -9.344 1.00 30.51 H new ATOM 0 HB2 GLU A 106 2.059 -11.366 -10.698 1.00 11.30 H new ATOM 0 HB3 GLU A 106 1.651 -10.086 -11.824 1.00 11.30 H new ATOM 0 HG2 GLU A 106 3.650 -10.532 -12.754 1.00 4.15 H new ATOM 0 HG3 GLU A 106 4.311 -9.577 -11.442 1.00 4.15 H new ATOM 1770 N LYS A 107 4.368 -8.605 -9.014 1.00 41.42 N ATOM 1771 CA LYS A 107 5.488 -8.587 -8.081 1.00 50.33 C ATOM 1772 C LYS A 107 4.972 -8.268 -6.685 1.00 3.12 C ATOM 1773 O LYS A 107 5.346 -8.912 -5.704 1.00 1.50 O ATOM 1774 CB LYS A 107 6.561 -7.557 -8.475 1.00 43.34 C ATOM 1775 CG LYS A 107 6.963 -7.561 -9.947 1.00 25.34 C ATOM 1776 CD LYS A 107 7.145 -8.964 -10.513 1.00 64.40 C ATOM 1777 CE LYS A 107 8.164 -9.786 -9.741 1.00 2.32 C ATOM 1778 NZ LYS A 107 8.232 -11.176 -10.263 1.00 2.13 N ATOM 0 H LYS A 107 4.396 -7.878 -9.729 1.00 41.42 H new ATOM 0 HA LYS A 107 5.954 -9.572 -8.105 1.00 50.33 H new ATOM 0 HB2 LYS A 107 6.197 -6.562 -8.218 1.00 43.34 H new ATOM 0 HB3 LYS A 107 7.451 -7.736 -7.872 1.00 43.34 H new ATOM 0 HG2 LYS A 107 6.203 -7.038 -10.527 1.00 25.34 H new ATOM 0 HG3 LYS A 107 7.893 -7.005 -10.065 1.00 25.34 H new ATOM 0 HD2 LYS A 107 6.186 -9.481 -10.503 1.00 64.40 H new ATOM 0 HD3 LYS A 107 7.458 -8.892 -11.555 1.00 64.40 H new ATOM 0 HE2 LYS A 107 9.145 -9.318 -9.815 1.00 2.32 H new ATOM 0 HE3 LYS A 107 7.897 -9.803 -8.684 1.00 2.32 H new ATOM 0 HZ1 LYS A 107 8.745 -11.776 -9.586 1.00 2.13 H new ATOM 0 HZ2 LYS A 107 7.269 -11.546 -10.392 1.00 2.13 H new ATOM 0 HZ3 LYS A 107 8.730 -11.180 -11.176 1.00 2.13 H new ATOM 1792 N LEU A 108 4.090 -7.278 -6.618 1.00 33.31 N ATOM 1793 CA LEU A 108 3.464 -6.883 -5.368 1.00 35.22 C ATOM 1794 C LEU A 108 2.537 -7.983 -4.869 1.00 14.41 C ATOM 1795 O LEU A 108 2.617 -8.390 -3.713 1.00 41.25 O ATOM 1796 CB LEU A 108 2.671 -5.586 -5.558 1.00 10.30 C ATOM 1797 CG LEU A 108 3.482 -4.388 -6.048 1.00 63.43 C ATOM 1798 CD1 LEU A 108 2.565 -3.205 -6.306 1.00 65.30 C ATOM 1799 CD2 LEU A 108 4.557 -4.023 -5.035 1.00 40.10 C ATOM 0 H LEU A 108 3.792 -6.731 -7.425 1.00 33.31 H new ATOM 0 HA LEU A 108 4.247 -6.717 -4.628 1.00 35.22 H new ATOM 0 HB2 LEU A 108 1.866 -5.773 -6.268 1.00 10.30 H new ATOM 0 HB3 LEU A 108 2.204 -5.323 -4.609 1.00 10.30 H new ATOM 0 HG LEU A 108 3.973 -4.657 -6.984 1.00 63.43 H new ATOM 0 HD11 LEU A 108 3.154 -2.357 -6.655 1.00 65.30 H new ATOM 0 HD12 LEU A 108 1.830 -3.473 -7.065 1.00 65.30 H new ATOM 0 HD13 LEU A 108 2.051 -2.935 -5.383 1.00 65.30 H new ATOM 0 HD21 LEU A 108 5.125 -3.168 -5.400 1.00 40.10 H new ATOM 0 HD22 LEU A 108 4.089 -3.769 -4.084 1.00 40.10 H new ATOM 0 HD23 LEU A 108 5.227 -4.871 -4.895 1.00 40.10 H new ATOM 1811 N TRP A 109 1.675 -8.472 -5.756 1.00 22.22 N ATOM 1812 CA TRP A 109 0.681 -9.480 -5.398 1.00 64.01 C ATOM 1813 C TRP A 109 1.329 -10.756 -4.859 1.00 3.14 C ATOM 1814 O TRP A 109 1.035 -11.180 -3.742 1.00 62.03 O ATOM 1815 CB TRP A 109 -0.205 -9.815 -6.605 1.00 23.33 C ATOM 1816 CG TRP A 109 -1.077 -11.015 -6.380 1.00 5.51 C ATOM 1817 CD1 TRP A 109 -2.076 -11.145 -5.459 1.00 72.34 C ATOM 1818 CD2 TRP A 109 -1.026 -12.254 -7.095 1.00 73.31 C ATOM 1819 NE1 TRP A 109 -2.634 -12.397 -5.544 1.00 41.14 N ATOM 1820 CE2 TRP A 109 -2.010 -13.096 -6.544 1.00 64.34 C ATOM 1821 CE3 TRP A 109 -0.235 -12.738 -8.143 1.00 31.24 C ATOM 1822 CZ2 TRP A 109 -2.231 -14.389 -7.011 1.00 72.12 C ATOM 1823 CZ3 TRP A 109 -0.456 -14.023 -8.605 1.00 52.03 C ATOM 1824 CH2 TRP A 109 -1.444 -14.837 -8.038 1.00 53.20 C ATOM 0 H TRP A 109 1.645 -8.184 -6.734 1.00 22.22 H new ATOM 0 HA TRP A 109 0.065 -9.057 -4.604 1.00 64.01 H new ATOM 0 HB2 TRP A 109 -0.833 -8.955 -6.837 1.00 23.33 H new ATOM 0 HB3 TRP A 109 0.428 -9.991 -7.475 1.00 23.33 H new ATOM 0 HD1 TRP A 109 -2.383 -10.376 -4.765 1.00 72.34 H new ATOM 0 HE1 TRP A 109 -3.391 -12.750 -4.958 1.00 41.14 H new ATOM 0 HE3 TRP A 109 0.534 -12.120 -8.583 1.00 31.24 H new ATOM 0 HZ2 TRP A 109 -2.996 -15.016 -6.578 1.00 72.12 H new ATOM 0 HZ3 TRP A 109 0.144 -14.405 -9.417 1.00 52.03 H new ATOM 0 HH2 TRP A 109 -1.588 -15.838 -8.418 1.00 53.20 H new ATOM 1835 N ARG A 110 2.221 -11.349 -5.645 1.00 53.34 N ATOM 1836 CA ARG A 110 2.811 -12.641 -5.299 1.00 11.12 C ATOM 1837 C ARG A 110 3.590 -12.569 -3.986 1.00 54.43 C ATOM 1838 O ARG A 110 3.634 -13.539 -3.229 1.00 15.31 O ATOM 1839 CB ARG A 110 3.721 -13.125 -6.431 1.00 11.21 C ATOM 1840 CG ARG A 110 4.343 -14.492 -6.187 1.00 43.34 C ATOM 1841 CD ARG A 110 5.266 -14.896 -7.327 1.00 2.55 C ATOM 1842 NE ARG A 110 5.860 -16.214 -7.103 1.00 72.01 N ATOM 1843 CZ ARG A 110 6.720 -16.799 -7.935 1.00 1.32 C ATOM 1844 NH1 ARG A 110 7.104 -16.192 -9.052 1.00 15.21 N ATOM 1845 NH2 ARG A 110 7.197 -18.004 -7.652 1.00 71.31 N ATOM 0 H ARG A 110 2.553 -10.957 -6.526 1.00 53.34 H new ATOM 0 HA ARG A 110 1.998 -13.354 -5.163 1.00 11.12 H new ATOM 0 HB2 ARG A 110 3.145 -13.160 -7.356 1.00 11.21 H new ATOM 0 HB3 ARG A 110 4.518 -12.396 -6.579 1.00 11.21 H new ATOM 0 HG2 ARG A 110 4.903 -14.476 -5.252 1.00 43.34 H new ATOM 0 HG3 ARG A 110 3.555 -15.237 -6.074 1.00 43.34 H new ATOM 0 HD2 ARG A 110 4.707 -14.903 -8.263 1.00 2.55 H new ATOM 0 HD3 ARG A 110 6.057 -14.154 -7.435 1.00 2.55 H new ATOM 0 HE ARG A 110 5.599 -16.717 -6.255 1.00 72.01 H new ATOM 0 HH11 ARG A 110 6.740 -15.267 -9.281 1.00 15.21 H new ATOM 0 HH12 ARG A 110 7.763 -16.651 -9.681 1.00 15.21 H new ATOM 0 HH21 ARG A 110 6.905 -18.481 -6.799 1.00 71.31 H new ATOM 0 HH22 ARG A 110 7.856 -18.454 -8.288 1.00 71.31 H new ATOM 1859 N ARG A 111 4.191 -11.421 -3.708 1.00 71.43 N ATOM 1860 CA ARG A 111 4.957 -11.259 -2.482 1.00 62.14 C ATOM 1861 C ARG A 111 4.035 -10.914 -1.316 1.00 53.44 C ATOM 1862 O ARG A 111 4.206 -11.420 -0.205 1.00 21.53 O ATOM 1863 CB ARG A 111 6.028 -10.177 -2.648 1.00 22.33 C ATOM 1864 CG ARG A 111 7.023 -10.141 -1.500 1.00 63.11 C ATOM 1865 CD ARG A 111 7.723 -11.481 -1.352 1.00 25.15 C ATOM 1866 NE ARG A 111 8.617 -11.524 -0.194 1.00 1.30 N ATOM 1867 CZ ARG A 111 9.383 -12.574 0.113 1.00 31.41 C ATOM 1868 NH1 ARG A 111 9.383 -13.653 -0.664 1.00 23.00 N ATOM 1869 NH2 ARG A 111 10.151 -12.539 1.194 1.00 31.11 N ATOM 0 H ARG A 111 4.164 -10.596 -4.308 1.00 71.43 H new ATOM 0 HA ARG A 111 5.454 -12.205 -2.266 1.00 62.14 H new ATOM 0 HB2 ARG A 111 6.565 -10.346 -3.581 1.00 22.33 H new ATOM 0 HB3 ARG A 111 5.543 -9.204 -2.731 1.00 22.33 H new ATOM 0 HG2 ARG A 111 7.760 -9.358 -1.676 1.00 63.11 H new ATOM 0 HG3 ARG A 111 6.507 -9.891 -0.573 1.00 63.11 H new ATOM 0 HD2 ARG A 111 6.976 -12.269 -1.259 1.00 25.15 H new ATOM 0 HD3 ARG A 111 8.295 -11.690 -2.256 1.00 25.15 H new ATOM 0 HE ARG A 111 8.657 -10.705 0.413 1.00 1.30 H new ATOM 0 HH11 ARG A 111 8.797 -13.681 -1.498 1.00 23.00 H new ATOM 0 HH12 ARG A 111 9.970 -14.453 -0.426 1.00 23.00 H new ATOM 0 HH21 ARG A 111 10.156 -11.711 1.789 1.00 31.11 H new ATOM 0 HH22 ARG A 111 10.737 -13.340 1.430 1.00 31.11 H new ATOM 1883 N HIS A 112 3.046 -10.067 -1.581 1.00 30.34 N ATOM 1884 CA HIS A 112 2.110 -9.635 -0.549 1.00 61.32 C ATOM 1885 C HIS A 112 1.258 -10.809 -0.088 1.00 10.12 C ATOM 1886 O HIS A 112 0.923 -10.911 1.086 1.00 2.42 O ATOM 1887 CB HIS A 112 1.208 -8.510 -1.071 1.00 3.04 C ATOM 1888 CG HIS A 112 0.567 -7.690 0.008 1.00 42.50 C ATOM 1889 ND1 HIS A 112 -0.722 -7.892 0.458 1.00 53.22 N ATOM 1890 CD2 HIS A 112 1.046 -6.635 0.710 1.00 63.42 C ATOM 1891 CE1 HIS A 112 -1.006 -6.996 1.385 1.00 4.43 C ATOM 1892 NE2 HIS A 112 0.050 -6.222 1.559 1.00 2.04 N ATOM 0 H HIS A 112 2.872 -9.666 -2.502 1.00 30.34 H new ATOM 0 HA HIS A 112 2.684 -9.256 0.296 1.00 61.32 H new ATOM 0 HB2 HIS A 112 1.798 -7.853 -1.710 1.00 3.04 H new ATOM 0 HB3 HIS A 112 0.427 -8.945 -1.695 1.00 3.04 H new ATOM 0 HD1 HIS A 112 -1.356 -8.619 0.126 1.00 53.22 H new ATOM 0 HD2 HIS A 112 2.030 -6.199 0.618 1.00 63.42 H new ATOM 0 HE1 HIS A 112 -1.944 -6.910 1.913 1.00 4.43 H new ATOM 1901 N CYS A 113 0.919 -11.688 -1.026 1.00 45.32 N ATOM 1902 CA CYS A 113 0.142 -12.888 -0.728 1.00 55.24 C ATOM 1903 C CYS A 113 0.841 -13.735 0.329 1.00 30.42 C ATOM 1904 O CYS A 113 0.246 -14.098 1.344 1.00 44.40 O ATOM 1905 CB CYS A 113 -0.058 -13.708 -2.006 1.00 64.35 C ATOM 1906 SG CYS A 113 -1.041 -15.211 -1.783 1.00 42.42 S ATOM 0 H CYS A 113 1.173 -11.590 -2.009 1.00 45.32 H new ATOM 0 HA CYS A 113 -0.829 -12.584 -0.338 1.00 55.24 H new ATOM 0 HB2 CYS A 113 -0.541 -13.080 -2.754 1.00 64.35 H new ATOM 0 HB3 CYS A 113 0.919 -13.983 -2.403 1.00 64.35 H new ATOM 0 HG CYS A 113 -2.216 -14.897 -1.323 1.00 42.42 H new ATOM 1912 N ARG A 114 2.115 -14.027 0.091 1.00 12.35 N ATOM 1913 CA ARG A 114 2.896 -14.853 1.002 1.00 60.34 C ATOM 1914 C ARG A 114 2.987 -14.212 2.386 1.00 11.43 C ATOM 1915 O ARG A 114 2.651 -14.834 3.396 1.00 25.21 O ATOM 1916 CB ARG A 114 4.304 -15.074 0.442 1.00 12.41 C ATOM 1917 CG ARG A 114 4.348 -15.925 -0.816 1.00 3.11 C ATOM 1918 CD ARG A 114 3.796 -17.323 -0.573 1.00 15.51 C ATOM 1919 NE ARG A 114 4.519 -18.040 0.481 1.00 31.44 N ATOM 1920 CZ ARG A 114 4.766 -19.351 0.462 1.00 32.02 C ATOM 1921 NH1 ARG A 114 4.407 -20.090 -0.580 1.00 43.51 N ATOM 1922 NH2 ARG A 114 5.372 -19.931 1.486 1.00 12.02 N ATOM 0 H ARG A 114 2.629 -13.702 -0.728 1.00 12.35 H new ATOM 0 HA ARG A 114 2.391 -15.814 1.099 1.00 60.34 H new ATOM 0 HB2 ARG A 114 4.754 -14.105 0.227 1.00 12.41 H new ATOM 0 HB3 ARG A 114 4.918 -15.547 1.209 1.00 12.41 H new ATOM 0 HG2 ARG A 114 3.773 -15.439 -1.604 1.00 3.11 H new ATOM 0 HG3 ARG A 114 5.376 -15.997 -1.170 1.00 3.11 H new ATOM 0 HD2 ARG A 114 2.743 -17.251 -0.302 1.00 15.51 H new ATOM 0 HD3 ARG A 114 3.848 -17.896 -1.499 1.00 15.51 H new ATOM 0 HE ARG A 114 4.855 -17.502 1.280 1.00 31.44 H new ATOM 0 HH11 ARG A 114 3.938 -19.656 -1.375 1.00 43.51 H new ATOM 0 HH12 ARG A 114 4.600 -21.092 -0.586 1.00 43.51 H new ATOM 0 HH21 ARG A 114 5.652 -19.375 2.294 1.00 12.02 H new ATOM 0 HH22 ARG A 114 5.559 -20.934 1.467 1.00 12.02 H new ATOM 1936 N LEU A 115 3.404 -12.953 2.413 1.00 55.54 N ATOM 1937 CA LEU A 115 3.669 -12.255 3.667 1.00 4.52 C ATOM 1938 C LEU A 115 2.387 -12.003 4.464 1.00 0.41 C ATOM 1939 O LEU A 115 2.403 -12.023 5.694 1.00 2.30 O ATOM 1940 CB LEU A 115 4.378 -10.929 3.380 1.00 21.31 C ATOM 1941 CG LEU A 115 4.897 -10.183 4.612 1.00 20.11 C ATOM 1942 CD1 LEU A 115 5.953 -11.009 5.331 1.00 74.22 C ATOM 1943 CD2 LEU A 115 5.459 -8.828 4.213 1.00 60.44 C ATOM 0 H LEU A 115 3.567 -12.391 1.578 1.00 55.54 H new ATOM 0 HA LEU A 115 4.311 -12.893 4.274 1.00 4.52 H new ATOM 0 HB2 LEU A 115 5.218 -11.122 2.713 1.00 21.31 H new ATOM 0 HB3 LEU A 115 3.689 -10.276 2.844 1.00 21.31 H new ATOM 0 HG LEU A 115 4.063 -10.023 5.296 1.00 20.11 H new ATOM 0 HD11 LEU A 115 6.310 -10.463 6.204 1.00 74.22 H new ATOM 0 HD12 LEU A 115 5.519 -11.957 5.649 1.00 74.22 H new ATOM 0 HD13 LEU A 115 6.787 -11.200 4.656 1.00 74.22 H new ATOM 0 HD21 LEU A 115 5.824 -8.310 5.100 1.00 60.44 H new ATOM 0 HD22 LEU A 115 6.281 -8.967 3.510 1.00 60.44 H new ATOM 0 HD23 LEU A 115 4.676 -8.234 3.742 1.00 60.44 H new ATOM 1955 N ALA A 116 1.280 -11.771 3.768 1.00 65.33 N ATOM 1956 CA ALA A 116 0.016 -11.476 4.434 1.00 60.25 C ATOM 1957 C ALA A 116 -0.567 -12.715 5.096 1.00 22.42 C ATOM 1958 O ALA A 116 -1.251 -12.621 6.114 1.00 72.33 O ATOM 1959 CB ALA A 116 -0.984 -10.885 3.453 1.00 13.43 C ATOM 0 H ALA A 116 1.231 -11.781 2.749 1.00 65.33 H new ATOM 0 HA ALA A 116 0.220 -10.742 5.213 1.00 60.25 H new ATOM 0 HB1 ALA A 116 -1.919 -10.673 3.971 1.00 13.43 H new ATOM 0 HB2 ALA A 116 -0.582 -9.962 3.036 1.00 13.43 H new ATOM 0 HB3 ALA A 116 -1.168 -11.597 2.648 1.00 13.43 H new ATOM 1965 N ARG A 117 -0.299 -13.877 4.517 1.00 32.41 N ATOM 1966 CA ARG A 117 -0.824 -15.123 5.057 1.00 35.25 C ATOM 1967 C ARG A 117 0.118 -15.691 6.112 1.00 75.21 C ATOM 1968 O ARG A 117 -0.325 -16.237 7.123 1.00 2.55 O ATOM 1969 CB ARG A 117 -1.061 -16.146 3.944 1.00 44.21 C ATOM 1970 CG ARG A 117 -2.033 -15.668 2.875 1.00 41.43 C ATOM 1971 CD ARG A 117 -2.349 -16.776 1.884 1.00 15.45 C ATOM 1972 NE ARG A 117 -3.140 -16.299 0.750 1.00 60.24 N ATOM 1973 CZ ARG A 117 -3.960 -17.067 0.033 1.00 43.33 C ATOM 1974 NH1 ARG A 117 -4.191 -18.326 0.392 1.00 40.03 N ATOM 1975 NH2 ARG A 117 -4.570 -16.563 -1.030 1.00 74.05 N ATOM 0 H ARG A 117 0.274 -13.983 3.680 1.00 32.41 H new ATOM 0 HA ARG A 117 -1.782 -14.907 5.529 1.00 35.25 H new ATOM 0 HB2 ARG A 117 -0.107 -16.387 3.475 1.00 44.21 H new ATOM 0 HB3 ARG A 117 -1.442 -17.068 4.384 1.00 44.21 H new ATOM 0 HG2 ARG A 117 -2.954 -15.324 3.345 1.00 41.43 H new ATOM 0 HG3 ARG A 117 -1.606 -14.815 2.347 1.00 41.43 H new ATOM 0 HD2 ARG A 117 -1.418 -17.209 1.518 1.00 15.45 H new ATOM 0 HD3 ARG A 117 -2.892 -17.572 2.394 1.00 15.45 H new ATOM 0 HE ARG A 117 -3.059 -15.316 0.491 1.00 60.24 H new ATOM 0 HH11 ARG A 117 -3.739 -18.711 1.222 1.00 40.03 H new ATOM 0 HH12 ARG A 117 -4.820 -18.907 -0.162 1.00 40.03 H new ATOM 0 HH21 ARG A 117 -4.411 -15.591 -1.296 1.00 74.05 H new ATOM 0 HH22 ARG A 117 -5.198 -17.147 -1.582 1.00 74.05 H new ATOM 1989 N GLY A 118 1.416 -15.553 5.883 1.00 14.22 N ATOM 1990 CA GLY A 118 2.384 -16.046 6.838 1.00 32.33 C ATOM 1991 C GLY A 118 3.812 -15.846 6.384 1.00 71.14 C ATOM 1992 O GLY A 118 4.482 -14.905 6.812 1.00 52.20 O ATOM 0 H GLY A 118 1.814 -15.110 5.055 1.00 14.22 H new ATOM 0 HA2 GLY A 118 2.237 -15.539 7.792 1.00 32.33 H new ATOM 0 HA3 GLY A 118 2.208 -17.108 7.011 1.00 32.33 H new ATOM 1996 N SER A 119 4.279 -16.729 5.518 1.00 51.25 N ATOM 1997 CA SER A 119 5.639 -16.665 5.020 1.00 15.13 C ATOM 1998 C SER A 119 5.724 -17.380 3.677 1.00 54.11 C ATOM 1999 O SER A 119 5.987 -18.598 3.664 1.00 71.24 O ATOM 2000 CB SER A 119 6.601 -17.302 6.031 1.00 70.21 C ATOM 2001 OG SER A 119 7.957 -17.090 5.668 1.00 61.32 O ATOM 2002 OXT SER A 119 5.517 -16.726 2.639 1.00 0.00 O ATOM 0 H SER A 119 3.730 -17.503 5.144 1.00 51.25 H new ATOM 0 HA SER A 119 5.926 -15.622 4.884 1.00 15.13 H new ATOM 0 HB2 SER A 119 6.419 -16.883 7.021 1.00 70.21 H new ATOM 0 HB3 SER A 119 6.404 -18.372 6.097 1.00 70.21 H new ATOM 0 HG SER A 119 8.543 -17.507 6.334 1.00 61.32 H new TER 2008 SER A 119