USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 174:sc= 1.1 (180deg=0) USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0.931 USER MOD Single : A 4 GLN : amide:sc= -0.689 K(o=-0.69,f=-1.8!) USER MOD Single : A 5 ASN : amide:sc= -0.54 X(o=-0.54,f=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= -0.358 (180deg=-1.3) USER MOD Single : A 34 ASN :FLIP amide:sc=-0.00363 F(o=-0.79,f=-0.0036) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.37 K(o=-2.4,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 82 MET CE :methyl -109:sc= -3.52 (180deg=-9.98!) USER MOD Single : A 83 ASN : amide:sc= -0.0376 K(o=-0.038,f=-3.6!) USER MOD Single : A 85 ASN : amide:sc= -0.371 K(o=-0.37,f=-4.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -120:sc= -0.0126 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 116:sc= -0.963 USER MOD Single : A 92 ASN : amide:sc= -3.99 K(o=-4,f=-4.9!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.188 F(o=-0.4,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.551 -3.338 5.147 1.00 51.13 N ATOM 19 CA ALA A 3 10.449 -4.248 4.857 1.00 14.33 C ATOM 20 C ALA A 3 9.719 -4.650 6.134 1.00 41.23 C ATOM 21 O ALA A 3 10.185 -5.511 6.881 1.00 61.53 O ATOM 22 CB ALA A 3 10.963 -5.482 4.129 1.00 33.23 C ATOM 0 HA ALA A 3 9.740 -3.728 4.213 1.00 14.33 H new ATOM 0 HB1 ALA A 3 10.130 -6.153 3.918 1.00 33.23 H new ATOM 0 HB2 ALA A 3 11.433 -5.182 3.193 1.00 33.23 H new ATOM 0 HB3 ALA A 3 11.694 -5.995 4.754 1.00 33.23 H new ATOM 28 N GLN A 4 8.573 -4.023 6.377 1.00 11.32 N ATOM 29 CA GLN A 4 7.780 -4.316 7.565 1.00 61.05 C ATOM 30 C GLN A 4 6.719 -5.370 7.264 1.00 51.32 C ATOM 31 O GLN A 4 6.036 -5.305 6.244 1.00 74.30 O ATOM 32 CB GLN A 4 7.115 -3.041 8.087 1.00 21.41 C ATOM 33 CG GLN A 4 6.291 -3.257 9.346 1.00 21.31 C ATOM 34 CD GLN A 4 6.966 -4.189 10.333 1.00 44.05 C ATOM 35 OE1 GLN A 4 8.176 -4.117 10.545 1.00 53.45 O ATOM 36 NE2 GLN A 4 6.183 -5.073 10.941 1.00 13.14 N ATOM 0 H GLN A 4 8.173 -3.309 5.768 1.00 11.32 H new ATOM 0 HA GLN A 4 8.449 -4.708 8.331 1.00 61.05 H new ATOM 0 HB2 GLN A 4 7.885 -2.296 8.290 1.00 21.41 H new ATOM 0 HB3 GLN A 4 6.472 -2.631 7.308 1.00 21.41 H new ATOM 0 HG2 GLN A 4 6.109 -2.295 9.826 1.00 21.31 H new ATOM 0 HG3 GLN A 4 5.318 -3.666 9.073 1.00 21.31 H new ATOM 0 HE21 GLN A 4 5.184 -5.097 10.734 1.00 13.14 H new ATOM 0 HE22 GLN A 4 6.580 -5.728 11.614 1.00 13.14 H new ATOM 43 N ASN A 5 6.590 -6.343 8.161 1.00 71.52 N ATOM 44 CA ASN A 5 5.613 -7.413 7.991 1.00 31.42 C ATOM 45 C ASN A 5 4.250 -6.996 8.537 1.00 64.44 C ATOM 46 O ASN A 5 4.117 -6.660 9.712 1.00 0.44 O ATOM 47 CB ASN A 5 6.090 -8.684 8.697 1.00 1.21 C ATOM 48 CG ASN A 5 6.128 -8.528 10.205 1.00 31.21 C ATOM 49 OD1 ASN A 5 7.078 -7.974 10.759 1.00 44.04 O ATOM 50 ND2 ASN A 5 5.093 -9.018 10.877 1.00 52.12 N ATOM 0 H ASN A 5 7.149 -6.412 9.012 1.00 71.52 H new ATOM 0 HA ASN A 5 5.512 -7.614 6.924 1.00 31.42 H new ATOM 0 HB2 ASN A 5 5.429 -9.511 8.437 1.00 1.21 H new ATOM 0 HB3 ASN A 5 7.085 -8.945 8.336 1.00 1.21 H new ATOM 0 HD21 ASN A 5 5.064 -8.943 11.894 1.00 52.12 H new ATOM 0 HD22 ASN A 5 4.327 -9.469 10.376 1.00 52.12 H new ATOM 56 N ILE A 6 3.241 -7.022 7.672 1.00 43.50 N ATOM 57 CA ILE A 6 1.888 -6.651 8.067 1.00 62.21 C ATOM 58 C ILE A 6 0.895 -7.761 7.743 1.00 64.13 C ATOM 59 O ILE A 6 0.755 -8.167 6.588 1.00 25.44 O ATOM 60 CB ILE A 6 1.435 -5.353 7.370 1.00 14.54 C ATOM 61 CG1 ILE A 6 2.341 -4.188 7.776 1.00 53.31 C ATOM 62 CG2 ILE A 6 -0.016 -5.047 7.711 1.00 12.21 C ATOM 63 CD1 ILE A 6 2.366 -3.932 9.266 1.00 31.13 C ATOM 0 H ILE A 6 3.335 -7.296 6.694 1.00 43.50 H new ATOM 0 HA ILE A 6 1.908 -6.489 9.145 1.00 62.21 H new ATOM 0 HB ILE A 6 1.513 -5.491 6.292 1.00 14.54 H new ATOM 0 HG12 ILE A 6 3.356 -4.391 7.434 1.00 53.31 H new ATOM 0 HG13 ILE A 6 2.007 -3.284 7.266 1.00 53.31 H new ATOM 0 HG21 ILE A 6 -0.321 -4.128 7.211 1.00 12.21 H new ATOM 0 HG22 ILE A 6 -0.649 -5.869 7.377 1.00 12.21 H new ATOM 0 HG23 ILE A 6 -0.118 -4.925 8.789 1.00 12.21 H new ATOM 0 HD11 ILE A 6 3.028 -3.093 9.480 1.00 31.13 H new ATOM 0 HD12 ILE A 6 1.359 -3.697 9.612 1.00 31.13 H new ATOM 0 HD13 ILE A 6 2.729 -4.821 9.782 1.00 31.13 H new ATOM 74 N THR A 7 0.205 -8.249 8.768 1.00 14.14 N ATOM 75 CA THR A 7 -0.776 -9.312 8.595 1.00 44.52 C ATOM 76 C THR A 7 -2.185 -8.746 8.470 1.00 32.51 C ATOM 77 O THR A 7 -2.536 -7.777 9.143 1.00 11.43 O ATOM 78 CB THR A 7 -0.738 -10.310 9.767 1.00 21.11 C ATOM 79 OG1 THR A 7 -0.779 -9.604 11.013 1.00 52.11 O ATOM 80 CG2 THR A 7 0.516 -11.170 9.707 1.00 1.22 C ATOM 0 H THR A 7 0.308 -7.924 9.729 1.00 14.14 H new ATOM 0 HA THR A 7 -0.515 -9.835 7.675 1.00 44.52 H new ATOM 0 HB THR A 7 -1.609 -10.961 9.689 1.00 21.11 H new ATOM 0 HG1 THR A 7 -0.756 -10.246 11.753 1.00 52.11 H new ATOM 0 HG21 THR A 7 0.520 -11.867 10.545 1.00 1.22 H new ATOM 0 HG22 THR A 7 0.530 -11.728 8.771 1.00 1.22 H new ATOM 0 HG23 THR A 7 1.398 -10.532 9.762 1.00 1.22 H new ATOM 88 N ALA A 8 -2.989 -9.355 7.604 1.00 24.04 N ATOM 89 CA ALA A 8 -4.360 -8.913 7.394 1.00 24.55 C ATOM 90 C ALA A 8 -5.268 -10.085 7.037 1.00 72.11 C ATOM 91 O ALA A 8 -4.792 -11.172 6.707 1.00 43.05 O ATOM 92 CB ALA A 8 -4.412 -7.853 6.304 1.00 74.51 C ATOM 0 H ALA A 8 -2.713 -10.156 7.037 1.00 24.04 H new ATOM 0 HA ALA A 8 -4.721 -8.479 8.326 1.00 24.55 H new ATOM 0 HB1 ALA A 8 -5.443 -7.532 6.158 1.00 74.51 H new ATOM 0 HB2 ALA A 8 -3.804 -6.998 6.599 1.00 74.51 H new ATOM 0 HB3 ALA A 8 -4.026 -8.269 5.373 1.00 74.51 H new ATOM 98 N ARG A 9 -6.575 -9.858 7.104 1.00 1.25 N ATOM 99 CA ARG A 9 -7.549 -10.897 6.790 1.00 11.31 C ATOM 100 C ARG A 9 -8.509 -10.431 5.700 1.00 63.15 C ATOM 101 O ARG A 9 -8.821 -9.244 5.600 1.00 22.34 O ATOM 102 CB ARG A 9 -8.335 -11.287 8.044 1.00 34.50 C ATOM 103 CG ARG A 9 -7.829 -12.556 8.710 1.00 61.32 C ATOM 104 CD ARG A 9 -6.949 -12.244 9.910 1.00 62.45 C ATOM 105 NE ARG A 9 -6.716 -13.422 10.739 1.00 2.10 N ATOM 106 CZ ARG A 9 -5.921 -13.427 11.804 1.00 15.11 C ATOM 107 NH1 ARG A 9 -5.286 -12.320 12.164 1.00 15.31 N ATOM 108 NH2 ARG A 9 -5.760 -14.539 12.509 1.00 72.02 N ATOM 0 H ARG A 9 -6.985 -8.963 7.373 1.00 1.25 H new ATOM 0 HA ARG A 9 -7.006 -11.769 6.424 1.00 11.31 H new ATOM 0 HB2 ARG A 9 -8.289 -10.467 8.761 1.00 34.50 H new ATOM 0 HB3 ARG A 9 -9.384 -11.420 7.778 1.00 34.50 H new ATOM 0 HG2 ARG A 9 -8.676 -13.164 9.027 1.00 61.32 H new ATOM 0 HG3 ARG A 9 -7.265 -13.147 7.988 1.00 61.32 H new ATOM 0 HD2 ARG A 9 -5.993 -11.849 9.566 1.00 62.45 H new ATOM 0 HD3 ARG A 9 -7.418 -11.465 10.511 1.00 62.45 H new ATOM 0 HE ARG A 9 -7.189 -14.290 10.487 1.00 2.10 H new ATOM 0 HH11 ARG A 9 -5.407 -11.464 11.623 1.00 15.31 H new ATOM 0 HH12 ARG A 9 -4.676 -12.325 12.982 1.00 15.31 H new ATOM 0 HH21 ARG A 9 -6.247 -15.392 12.234 1.00 72.02 H new ATOM 0 HH22 ARG A 9 -5.149 -14.541 13.326 1.00 72.02 H new ATOM 119 N ILE A 10 -8.972 -11.373 4.885 1.00 63.21 N ATOM 120 CA ILE A 10 -9.896 -11.057 3.803 1.00 0.12 C ATOM 121 C ILE A 10 -11.120 -10.312 4.324 1.00 61.41 C ATOM 122 O ILE A 10 -11.844 -10.812 5.182 1.00 24.44 O ATOM 123 CB ILE A 10 -10.358 -12.331 3.069 1.00 31.51 C ATOM 124 CG1 ILE A 10 -9.181 -12.983 2.341 1.00 31.33 C ATOM 125 CG2 ILE A 10 -11.476 -12.002 2.091 1.00 64.54 C ATOM 126 CD1 ILE A 10 -9.325 -14.479 2.179 1.00 40.21 C ATOM 0 H ILE A 10 -8.723 -12.360 4.953 1.00 63.21 H new ATOM 0 HA ILE A 10 -9.357 -10.418 3.103 1.00 0.12 H new ATOM 0 HB ILE A 10 -10.741 -13.038 3.805 1.00 31.51 H new ATOM 0 HG12 ILE A 10 -9.076 -12.528 1.356 1.00 31.33 H new ATOM 0 HG13 ILE A 10 -8.263 -12.772 2.889 1.00 31.33 H new ATOM 0 HG21 ILE A 10 -11.792 -12.912 1.580 1.00 64.54 H new ATOM 0 HG22 ILE A 10 -12.321 -11.578 2.634 1.00 64.54 H new ATOM 0 HG23 ILE A 10 -11.117 -11.280 1.358 1.00 64.54 H new ATOM 0 HD11 ILE A 10 -8.455 -14.874 1.655 1.00 40.21 H new ATOM 0 HD12 ILE A 10 -9.399 -14.946 3.161 1.00 40.21 H new ATOM 0 HD13 ILE A 10 -10.225 -14.698 1.604 1.00 40.21 H new ATOM 137 N GLY A 11 -11.345 -9.112 3.796 1.00 54.13 N ATOM 138 CA GLY A 11 -12.482 -8.317 4.218 1.00 21.44 C ATOM 139 C GLY A 11 -12.170 -7.455 5.426 1.00 72.22 C ATOM 140 O GLY A 11 -13.051 -6.780 5.958 1.00 63.24 O ATOM 0 H GLY A 11 -10.759 -8.677 3.083 1.00 54.13 H new ATOM 0 HA2 GLY A 11 -12.802 -7.680 3.394 1.00 21.44 H new ATOM 0 HA3 GLY A 11 -13.317 -8.978 4.453 1.00 21.44 H new ATOM 144 N GLU A 12 -10.914 -7.478 5.859 1.00 34.04 N ATOM 145 CA GLU A 12 -10.490 -6.694 7.013 1.00 1.22 C ATOM 146 C GLU A 12 -9.745 -5.437 6.574 1.00 61.22 C ATOM 147 O GLU A 12 -8.951 -5.454 5.633 1.00 15.31 O ATOM 148 CB GLU A 12 -9.598 -7.534 7.930 1.00 45.30 C ATOM 149 CG GLU A 12 -10.273 -8.794 8.447 1.00 71.20 C ATOM 150 CD GLU A 12 -11.705 -8.551 8.883 1.00 14.13 C ATOM 151 OE1 GLU A 12 -11.903 -7.887 9.923 1.00 44.04 O ATOM 152 OE2 GLU A 12 -12.626 -9.026 8.188 1.00 22.23 O ATOM 0 H GLU A 12 -10.173 -8.031 5.429 1.00 34.04 H new ATOM 0 HA GLU A 12 -11.382 -6.394 7.562 1.00 1.22 H new ATOM 0 HB2 GLU A 12 -8.694 -7.812 7.388 1.00 45.30 H new ATOM 0 HB3 GLU A 12 -9.287 -6.924 8.778 1.00 45.30 H new ATOM 0 HG2 GLU A 12 -10.259 -9.556 7.667 1.00 71.20 H new ATOM 0 HG3 GLU A 12 -9.703 -9.188 9.288 1.00 71.20 H new ATOM 157 N PRO A 13 -10.006 -4.321 7.268 1.00 62.22 N ATOM 158 CA PRO A 13 -9.371 -3.034 6.967 1.00 12.24 C ATOM 159 C PRO A 13 -7.887 -3.024 7.320 1.00 31.33 C ATOM 160 O PRO A 13 -7.470 -3.626 8.310 1.00 4.13 O ATOM 161 CB PRO A 13 -10.138 -2.046 7.849 1.00 12.00 C ATOM 162 CG PRO A 13 -10.658 -2.867 8.978 1.00 55.43 C ATOM 163 CD PRO A 13 -10.942 -4.227 8.401 1.00 4.31 C ATOM 0 HA PRO A 13 -9.412 -2.797 5.904 1.00 12.24 H new ATOM 0 HB2 PRO A 13 -9.487 -1.248 8.207 1.00 12.00 H new ATOM 0 HB3 PRO A 13 -10.950 -1.572 7.298 1.00 12.00 H new ATOM 0 HG2 PRO A 13 -9.927 -2.930 9.785 1.00 55.43 H new ATOM 0 HG3 PRO A 13 -11.561 -2.425 9.399 1.00 55.43 H new ATOM 0 HD2 PRO A 13 -10.769 -5.017 9.132 1.00 4.31 H new ATOM 0 HD3 PRO A 13 -11.978 -4.316 8.074 1.00 4.31 H new ATOM 168 N LEU A 14 -7.095 -2.334 6.507 1.00 33.14 N ATOM 169 CA LEU A 14 -5.657 -2.245 6.735 1.00 63.44 C ATOM 170 C LEU A 14 -5.128 -0.870 6.339 1.00 43.32 C ATOM 171 O LEU A 14 -5.562 -0.289 5.344 1.00 23.21 O ATOM 172 CB LEU A 14 -4.927 -3.332 5.944 1.00 21.54 C ATOM 173 CG LEU A 14 -3.425 -3.455 6.202 1.00 11.24 C ATOM 174 CD1 LEU A 14 -3.167 -4.057 7.575 1.00 23.30 C ATOM 175 CD2 LEU A 14 -2.764 -4.294 5.117 1.00 30.41 C ATOM 0 H LEU A 14 -7.424 -1.828 5.685 1.00 33.14 H new ATOM 0 HA LEU A 14 -5.472 -2.393 7.799 1.00 63.44 H new ATOM 0 HB2 LEU A 14 -5.394 -4.291 6.168 1.00 21.54 H new ATOM 0 HB3 LEU A 14 -5.079 -3.144 4.881 1.00 21.54 H new ATOM 0 HG LEU A 14 -2.989 -2.456 6.178 1.00 11.24 H new ATOM 0 HD11 LEU A 14 -2.093 -4.137 7.741 1.00 23.30 H new ATOM 0 HD12 LEU A 14 -3.606 -3.418 8.341 1.00 23.30 H new ATOM 0 HD13 LEU A 14 -3.617 -5.048 7.628 1.00 23.30 H new ATOM 0 HD21 LEU A 14 -1.695 -4.371 5.317 1.00 30.41 H new ATOM 0 HD22 LEU A 14 -3.204 -5.291 5.109 1.00 30.41 H new ATOM 0 HD23 LEU A 14 -2.919 -3.822 4.147 1.00 30.41 H new ATOM 186 N VAL A 15 -4.185 -0.357 7.122 1.00 33.23 N ATOM 187 CA VAL A 15 -3.593 0.948 6.852 1.00 61.31 C ATOM 188 C VAL A 15 -2.082 0.843 6.687 1.00 14.50 C ATOM 189 O VAL A 15 -1.434 0.007 7.319 1.00 34.21 O ATOM 190 CB VAL A 15 -3.907 1.952 7.977 1.00 4.22 C ATOM 191 CG1 VAL A 15 -3.443 3.348 7.593 1.00 12.32 C ATOM 192 CG2 VAL A 15 -5.395 1.945 8.297 1.00 41.31 C ATOM 0 H VAL A 15 -3.814 -0.825 7.949 1.00 33.23 H new ATOM 0 HA VAL A 15 -4.033 1.307 5.922 1.00 61.31 H new ATOM 0 HB VAL A 15 -3.364 1.649 8.872 1.00 4.22 H new ATOM 0 HG11 VAL A 15 -3.674 4.043 8.400 1.00 12.32 H new ATOM 0 HG12 VAL A 15 -2.367 3.339 7.418 1.00 12.32 H new ATOM 0 HG13 VAL A 15 -3.955 3.665 6.684 1.00 12.32 H new ATOM 0 HG21 VAL A 15 -5.599 2.660 9.094 1.00 41.31 H new ATOM 0 HG22 VAL A 15 -5.960 2.222 7.407 1.00 41.31 H new ATOM 0 HG23 VAL A 15 -5.693 0.947 8.620 1.00 41.31 H new ATOM 202 N LEU A 16 -1.524 1.696 5.836 1.00 51.34 N ATOM 203 CA LEU A 16 -0.085 1.700 5.588 1.00 41.42 C ATOM 204 C LEU A 16 0.477 3.116 5.663 1.00 23.41 C ATOM 205 O LEU A 16 -0.209 4.086 5.338 1.00 70.53 O ATOM 206 CB LEU A 16 0.218 1.091 4.220 1.00 40.44 C ATOM 207 CG LEU A 16 0.007 -0.419 4.095 1.00 62.22 C ATOM 208 CD1 LEU A 16 0.394 -0.899 2.704 1.00 52.32 C ATOM 209 CD2 LEU A 16 0.806 -1.159 5.158 1.00 23.33 C ATOM 0 H LEU A 16 -2.045 2.394 5.306 1.00 51.34 H new ATOM 0 HA LEU A 16 0.393 1.098 6.361 1.00 41.42 H new ATOM 0 HB2 LEU A 16 -0.406 1.588 3.477 1.00 40.44 H new ATOM 0 HB3 LEU A 16 1.254 1.315 3.966 1.00 40.44 H new ATOM 0 HG LEU A 16 -1.051 -0.633 4.249 1.00 62.22 H new ATOM 0 HD11 LEU A 16 0.237 -1.975 2.634 1.00 52.32 H new ATOM 0 HD12 LEU A 16 -0.222 -0.393 1.960 1.00 52.32 H new ATOM 0 HD13 LEU A 16 1.444 -0.673 2.520 1.00 52.32 H new ATOM 0 HD21 LEU A 16 0.644 -2.232 5.054 1.00 23.33 H new ATOM 0 HD22 LEU A 16 1.866 -0.939 5.035 1.00 23.33 H new ATOM 0 HD23 LEU A 16 0.481 -0.837 6.147 1.00 23.33 H new ATOM 220 N LYS A 17 1.729 3.229 6.093 1.00 43.24 N ATOM 221 CA LYS A 17 2.386 4.526 6.206 1.00 24.14 C ATOM 222 C LYS A 17 3.507 4.660 5.182 1.00 52.31 C ATOM 223 O LYS A 17 4.115 3.667 4.779 1.00 74.44 O ATOM 224 CB LYS A 17 2.944 4.715 7.618 1.00 34.25 C ATOM 225 CG LYS A 17 3.560 6.083 7.851 1.00 42.10 C ATOM 226 CD LYS A 17 3.463 6.497 9.309 1.00 30.33 C ATOM 227 CE LYS A 17 2.056 6.948 9.670 1.00 33.12 C ATOM 228 NZ LYS A 17 2.055 7.912 10.804 1.00 24.11 N ATOM 0 H LYS A 17 2.310 2.437 6.369 1.00 43.24 H new ATOM 0 HA LYS A 17 1.644 5.300 6.008 1.00 24.14 H new ATOM 0 HB2 LYS A 17 2.142 4.559 8.340 1.00 34.25 H new ATOM 0 HB3 LYS A 17 3.697 3.950 7.807 1.00 34.25 H new ATOM 0 HG2 LYS A 17 4.606 6.069 7.545 1.00 42.10 H new ATOM 0 HG3 LYS A 17 3.055 6.821 7.228 1.00 42.10 H new ATOM 0 HD2 LYS A 17 3.752 5.661 9.945 1.00 30.33 H new ATOM 0 HD3 LYS A 17 4.167 7.306 9.506 1.00 30.33 H new ATOM 0 HE2 LYS A 17 1.589 7.410 8.800 1.00 33.12 H new ATOM 0 HE3 LYS A 17 1.452 6.079 9.932 1.00 33.12 H new ATOM 0 HZ1 LYS A 17 1.077 8.195 11.019 1.00 24.11 H new ATOM 0 HZ2 LYS A 17 2.477 7.463 11.642 1.00 24.11 H new ATOM 0 HZ3 LYS A 17 2.610 8.753 10.545 1.00 24.11 H new ATOM 238 N CYS A 18 3.779 5.892 4.766 1.00 4.15 N ATOM 239 CA CYS A 18 4.828 6.157 3.790 1.00 51.24 C ATOM 240 C CYS A 18 6.036 6.814 4.453 1.00 23.44 C ATOM 241 O CYS A 18 6.040 8.020 4.703 1.00 5.45 O ATOM 242 CB CYS A 18 4.298 7.051 2.669 1.00 31.22 C ATOM 243 SG CYS A 18 5.432 7.223 1.254 1.00 54.32 S ATOM 0 H CYS A 18 3.286 6.724 5.091 1.00 4.15 H new ATOM 0 HA CYS A 18 5.143 5.204 3.366 1.00 51.24 H new ATOM 0 HB2 CYS A 18 3.350 6.646 2.314 1.00 31.22 H new ATOM 0 HB3 CYS A 18 4.090 8.040 3.076 1.00 31.22 H new ATOM 247 N LYS A 19 7.057 6.013 4.735 1.00 34.31 N ATOM 248 CA LYS A 19 8.271 6.518 5.369 1.00 41.32 C ATOM 249 C LYS A 19 8.898 7.630 4.535 1.00 65.22 C ATOM 250 O LYS A 19 9.245 7.429 3.372 1.00 35.12 O ATOM 251 CB LYS A 19 9.280 5.382 5.561 1.00 44.05 C ATOM 252 CG LYS A 19 9.460 4.968 7.010 1.00 53.10 C ATOM 253 CD LYS A 19 8.342 4.049 7.474 1.00 73.13 C ATOM 254 CE LYS A 19 8.038 4.243 8.951 1.00 43.45 C ATOM 255 NZ LYS A 19 6.717 3.665 9.325 1.00 74.05 N ATOM 0 H LYS A 19 7.069 5.013 4.535 1.00 34.31 H new ATOM 0 HA LYS A 19 8.000 6.926 6.343 1.00 41.32 H new ATOM 0 HB2 LYS A 19 8.955 4.517 4.982 1.00 44.05 H new ATOM 0 HB3 LYS A 19 10.244 5.692 5.158 1.00 44.05 H new ATOM 0 HG2 LYS A 19 10.419 4.463 7.128 1.00 53.10 H new ATOM 0 HG3 LYS A 19 9.487 5.856 7.642 1.00 53.10 H new ATOM 0 HD2 LYS A 19 7.444 4.243 6.888 1.00 73.13 H new ATOM 0 HD3 LYS A 19 8.623 3.012 7.293 1.00 73.13 H new ATOM 0 HE2 LYS A 19 8.821 3.775 9.548 1.00 43.45 H new ATOM 0 HE3 LYS A 19 8.049 5.307 9.188 1.00 43.45 H new ATOM 0 HZ1 LYS A 19 6.590 3.726 10.355 1.00 74.05 H new ATOM 0 HZ2 LYS A 19 5.959 4.196 8.851 1.00 74.05 H new ATOM 0 HZ3 LYS A 19 6.678 2.668 9.030 1.00 74.05 H new ATOM 265 N GLY A 20 9.040 8.806 5.139 1.00 35.30 N ATOM 266 CA GLY A 20 9.626 9.935 4.439 1.00 1.11 C ATOM 267 C GLY A 20 8.759 11.176 4.511 1.00 11.34 C ATOM 268 O GLY A 20 9.266 12.287 4.661 1.00 60.31 O ATOM 0 H GLY A 20 8.760 8.997 6.101 1.00 35.30 H new ATOM 0 HA2 GLY A 20 10.605 10.154 4.865 1.00 1.11 H new ATOM 0 HA3 GLY A 20 9.786 9.668 3.395 1.00 1.11 H new ATOM 272 N ALA A 21 7.447 10.987 4.403 1.00 35.03 N ATOM 273 CA ALA A 21 6.509 12.100 4.457 1.00 72.42 C ATOM 274 C ALA A 21 6.041 12.356 5.886 1.00 44.13 C ATOM 275 O ALA A 21 5.611 11.446 6.596 1.00 44.44 O ATOM 276 CB ALA A 21 5.317 11.831 3.551 1.00 53.12 C ATOM 0 H ALA A 21 7.011 10.073 4.278 1.00 35.03 H new ATOM 0 HA ALA A 21 7.025 12.993 4.105 1.00 72.42 H new ATOM 0 HB1 ALA A 21 4.625 12.671 3.602 1.00 53.12 H new ATOM 0 HB2 ALA A 21 5.661 11.706 2.524 1.00 53.12 H new ATOM 0 HB3 ALA A 21 4.810 10.923 3.877 1.00 53.12 H new ATOM 282 N PRO A 22 6.127 13.622 6.321 1.00 40.23 N ATOM 283 CA PRO A 22 5.717 14.025 7.669 1.00 12.33 C ATOM 284 C PRO A 22 4.206 13.958 7.861 1.00 52.14 C ATOM 285 O PRO A 22 3.493 13.360 7.054 1.00 62.14 O ATOM 286 CB PRO A 22 6.206 15.472 7.771 1.00 74.32 C ATOM 287 CG PRO A 22 6.259 15.953 6.361 1.00 4.02 C ATOM 288 CD PRO A 22 6.630 14.756 5.529 1.00 71.31 C ATOM 0 HA PRO A 22 6.129 13.366 8.434 1.00 12.33 H new ATOM 0 HB2 PRO A 22 5.527 16.078 8.371 1.00 74.32 H new ATOM 0 HB3 PRO A 22 7.186 15.527 8.245 1.00 74.32 H new ATOM 0 HG2 PRO A 22 5.297 16.361 6.051 1.00 4.02 H new ATOM 0 HG3 PRO A 22 6.994 16.750 6.248 1.00 4.02 H new ATOM 0 HD2 PRO A 22 6.168 14.793 4.542 1.00 71.31 H new ATOM 0 HD3 PRO A 22 7.707 14.692 5.375 1.00 71.31 H new ATOM 293 N LYS A 23 3.722 14.577 8.933 1.00 51.13 N ATOM 294 CA LYS A 23 2.295 14.590 9.230 1.00 41.22 C ATOM 295 C LYS A 23 1.487 15.001 8.003 1.00 34.31 C ATOM 296 O LYS A 23 0.508 14.347 7.643 1.00 62.44 O ATOM 297 CB LYS A 23 2.002 15.544 10.389 1.00 55.32 C ATOM 298 CG LYS A 23 2.700 15.161 11.683 1.00 72.03 C ATOM 299 CD LYS A 23 2.337 13.750 12.116 1.00 22.34 C ATOM 300 CE LYS A 23 2.543 13.556 13.611 1.00 30.32 C ATOM 301 NZ LYS A 23 3.926 13.918 14.031 1.00 65.13 N ATOM 0 H LYS A 23 4.298 15.076 9.611 1.00 51.13 H new ATOM 0 HA LYS A 23 2.001 13.580 9.516 1.00 41.22 H new ATOM 0 HB2 LYS A 23 2.307 16.551 10.106 1.00 55.32 H new ATOM 0 HB3 LYS A 23 0.926 15.574 10.561 1.00 55.32 H new ATOM 0 HG2 LYS A 23 3.779 15.236 11.551 1.00 72.03 H new ATOM 0 HG3 LYS A 23 2.425 15.866 12.468 1.00 72.03 H new ATOM 0 HD2 LYS A 23 1.297 13.546 11.861 1.00 22.34 H new ATOM 0 HD3 LYS A 23 2.946 13.032 11.567 1.00 22.34 H new ATOM 0 HE2 LYS A 23 1.825 14.167 14.159 1.00 30.32 H new ATOM 0 HE3 LYS A 23 2.344 12.517 13.873 1.00 30.32 H new ATOM 0 HZ1 LYS A 23 4.086 13.600 15.008 1.00 65.13 H new ATOM 0 HZ2 LYS A 23 4.612 13.457 13.400 1.00 65.13 H new ATOM 0 HZ3 LYS A 23 4.046 14.950 13.978 1.00 65.13 H new ATOM 311 N LYS A 24 1.905 16.089 7.363 1.00 45.21 N ATOM 312 CA LYS A 24 1.223 16.587 6.175 1.00 72.40 C ATOM 313 C LYS A 24 2.056 16.333 4.922 1.00 4.01 C ATOM 314 O LYS A 24 3.286 16.321 4.959 1.00 75.45 O ATOM 315 CB LYS A 24 0.938 18.085 6.315 1.00 34.11 C ATOM 316 CG LYS A 24 2.089 18.967 5.863 1.00 64.03 C ATOM 317 CD LYS A 24 3.309 18.791 6.751 1.00 72.23 C ATOM 318 CE LYS A 24 4.101 20.084 6.872 1.00 34.01 C ATOM 319 NZ LYS A 24 5.022 20.062 8.042 1.00 54.43 N ATOM 0 H LYS A 24 2.713 16.642 7.648 1.00 45.21 H new ATOM 0 HA LYS A 24 0.279 16.051 6.078 1.00 72.40 H new ATOM 0 HB2 LYS A 24 0.050 18.334 5.733 1.00 34.11 H new ATOM 0 HB3 LYS A 24 0.708 18.307 7.357 1.00 34.11 H new ATOM 0 HG2 LYS A 24 2.350 18.726 4.833 1.00 64.03 H new ATOM 0 HG3 LYS A 24 1.776 20.011 5.877 1.00 64.03 H new ATOM 0 HD2 LYS A 24 2.995 18.461 7.741 1.00 72.23 H new ATOM 0 HD3 LYS A 24 3.948 18.008 6.342 1.00 72.23 H new ATOM 0 HE2 LYS A 24 4.676 20.245 5.960 1.00 34.01 H new ATOM 0 HE3 LYS A 24 3.413 20.924 6.967 1.00 34.01 H new ATOM 0 HZ1 LYS A 24 5.544 20.960 8.090 1.00 54.43 H new ATOM 0 HZ2 LYS A 24 4.471 19.934 8.915 1.00 54.43 H new ATOM 0 HZ3 LYS A 24 5.695 19.276 7.939 1.00 54.43 H new ATOM 366 N ARG A 28 4.773 16.418 -4.185 1.00 44.55 N ATOM 367 CA ARG A 28 4.074 15.345 -4.884 1.00 23.34 C ATOM 368 C ARG A 28 4.745 13.999 -4.622 1.00 62.24 C ATOM 369 O ARG A 28 5.970 13.889 -4.649 1.00 53.34 O ATOM 370 CB ARG A 28 4.037 15.626 -6.387 1.00 3.20 C ATOM 371 CG ARG A 28 5.416 15.741 -7.019 1.00 61.12 C ATOM 372 CD ARG A 28 5.363 16.499 -8.336 1.00 13.24 C ATOM 373 NE ARG A 28 5.067 17.916 -8.140 1.00 2.22 N ATOM 374 CZ ARG A 28 4.950 18.787 -9.137 1.00 11.41 C ATOM 375 NH1 ARG A 28 5.103 18.387 -10.392 1.00 34.14 N ATOM 376 NH2 ARG A 28 4.681 20.060 -8.878 1.00 23.21 N ATOM 0 HA ARG A 28 3.053 15.302 -4.505 1.00 23.34 H new ATOM 0 HB2 ARG A 28 3.484 14.829 -6.884 1.00 3.20 H new ATOM 0 HB3 ARG A 28 3.488 16.551 -6.562 1.00 3.20 H new ATOM 0 HG2 ARG A 28 6.091 16.250 -6.332 1.00 61.12 H new ATOM 0 HG3 ARG A 28 5.825 14.745 -7.187 1.00 61.12 H new ATOM 0 HD2 ARG A 28 6.317 16.396 -8.852 1.00 13.24 H new ATOM 0 HD3 ARG A 28 4.603 16.055 -8.979 1.00 13.24 H new ATOM 0 HE ARG A 28 4.943 18.255 -7.186 1.00 2.22 H new ATOM 0 HH11 ARG A 28 5.311 17.409 -10.594 1.00 34.14 H new ATOM 0 HH12 ARG A 28 5.013 19.057 -11.156 1.00 34.14 H new ATOM 0 HH21 ARG A 28 4.564 20.371 -7.913 1.00 23.21 H new ATOM 0 HH22 ARG A 28 4.591 20.728 -9.643 1.00 23.21 H new ATOM 387 N LEU A 29 3.932 12.979 -4.369 1.00 14.02 N ATOM 388 CA LEU A 29 4.447 11.640 -4.102 1.00 61.11 C ATOM 389 C LEU A 29 3.631 10.586 -4.845 1.00 22.13 C ATOM 390 O LEU A 29 2.444 10.779 -5.110 1.00 74.44 O ATOM 391 CB LEU A 29 4.424 11.354 -2.599 1.00 72.22 C ATOM 392 CG LEU A 29 3.098 11.619 -1.886 1.00 10.43 C ATOM 393 CD1 LEU A 29 2.123 10.478 -2.132 1.00 31.41 C ATOM 394 CD2 LEU A 29 3.326 11.816 -0.394 1.00 2.11 C ATOM 0 H LEU A 29 2.915 13.053 -4.343 1.00 14.02 H new ATOM 0 HA LEU A 29 5.476 11.594 -4.458 1.00 61.11 H new ATOM 0 HB2 LEU A 29 4.695 10.310 -2.444 1.00 72.22 H new ATOM 0 HB3 LEU A 29 5.197 11.957 -2.123 1.00 72.22 H new ATOM 0 HG LEU A 29 2.665 12.533 -2.291 1.00 10.43 H new ATOM 0 HD11 LEU A 29 1.185 10.684 -1.617 1.00 31.41 H new ATOM 0 HD12 LEU A 29 1.936 10.383 -3.202 1.00 31.41 H new ATOM 0 HD13 LEU A 29 2.548 9.548 -1.754 1.00 31.41 H new ATOM 0 HD21 LEU A 29 2.372 12.004 0.098 1.00 2.11 H new ATOM 0 HD22 LEU A 29 3.781 10.919 0.026 1.00 2.11 H new ATOM 0 HD23 LEU A 29 3.989 12.667 -0.236 1.00 2.11 H new ATOM 405 N GLU A 30 4.274 9.470 -5.172 1.00 33.40 N ATOM 406 CA GLU A 30 3.607 8.386 -5.882 1.00 42.14 C ATOM 407 C GLU A 30 3.654 7.095 -5.071 1.00 43.34 C ATOM 408 O GLU A 30 4.607 6.849 -4.330 1.00 63.24 O ATOM 409 CB GLU A 30 4.257 8.165 -7.251 1.00 34.45 C ATOM 410 CG GLU A 30 3.379 7.398 -8.225 1.00 21.41 C ATOM 411 CD GLU A 30 3.322 8.048 -9.594 1.00 4.23 C ATOM 412 OE1 GLU A 30 2.984 9.247 -9.666 1.00 73.04 O ATOM 413 OE2 GLU A 30 3.614 7.356 -10.592 1.00 31.12 O ATOM 0 H GLU A 30 5.255 9.293 -4.957 1.00 33.40 H new ATOM 0 HA GLU A 30 2.564 8.668 -6.025 1.00 42.14 H new ATOM 0 HB2 GLU A 30 4.507 9.133 -7.685 1.00 34.45 H new ATOM 0 HB3 GLU A 30 5.194 7.624 -7.116 1.00 34.45 H new ATOM 0 HG2 GLU A 30 3.757 6.380 -8.325 1.00 21.41 H new ATOM 0 HG3 GLU A 30 2.370 7.325 -7.819 1.00 21.41 H new ATOM 418 N TRP A 31 2.621 6.274 -5.216 1.00 63.13 N ATOM 419 CA TRP A 31 2.543 5.009 -4.496 1.00 0.55 C ATOM 420 C TRP A 31 2.410 3.838 -5.464 1.00 43.04 C ATOM 421 O TRP A 31 1.695 3.923 -6.464 1.00 34.24 O ATOM 422 CB TRP A 31 1.360 5.019 -3.525 1.00 73.13 C ATOM 423 CG TRP A 31 1.694 4.461 -2.176 1.00 23.24 C ATOM 424 CD1 TRP A 31 2.371 3.305 -1.912 1.00 61.04 C ATOM 425 CD2 TRP A 31 1.362 5.033 -0.906 1.00 12.33 C ATOM 426 NE1 TRP A 31 2.481 3.124 -0.554 1.00 64.12 N ATOM 427 CE2 TRP A 31 1.871 4.171 0.084 1.00 11.44 C ATOM 428 CE3 TRP A 31 0.688 6.191 -0.509 1.00 24.23 C ATOM 429 CZ2 TRP A 31 1.724 4.430 1.444 1.00 33.25 C ATOM 430 CZ3 TRP A 31 0.542 6.448 0.841 1.00 44.12 C ATOM 431 CH2 TRP A 31 1.059 5.571 1.804 1.00 4.04 C ATOM 0 H TRP A 31 1.825 6.462 -5.826 1.00 63.13 H new ATOM 0 HA TRP A 31 3.467 4.887 -3.930 1.00 0.55 H new ATOM 0 HB2 TRP A 31 1.003 6.042 -3.409 1.00 73.13 H new ATOM 0 HB3 TRP A 31 0.541 4.443 -3.956 1.00 73.13 H new ATOM 0 HD1 TRP A 31 2.763 2.632 -2.660 1.00 61.04 H new ATOM 0 HE1 TRP A 31 2.942 2.338 -0.096 1.00 64.12 H new ATOM 0 HE3 TRP A 31 0.288 6.873 -1.244 1.00 24.23 H new ATOM 0 HZ2 TRP A 31 2.120 3.755 2.188 1.00 33.25 H new ATOM 0 HZ3 TRP A 31 0.021 7.339 1.159 1.00 44.12 H new ATOM 0 HH2 TRP A 31 0.930 5.800 2.852 1.00 4.04 H new ATOM 441 N LYS A 32 3.101 2.743 -5.163 1.00 73.32 N ATOM 442 CA LYS A 32 3.059 1.555 -6.006 1.00 3.23 C ATOM 443 C LYS A 32 2.927 0.292 -5.160 1.00 23.33 C ATOM 444 O LYS A 32 3.610 0.138 -4.148 1.00 13.11 O ATOM 445 CB LYS A 32 4.318 1.473 -6.871 1.00 60.13 C ATOM 446 CG LYS A 32 4.353 2.495 -7.994 1.00 41.22 C ATOM 447 CD LYS A 32 5.036 3.780 -7.558 1.00 41.13 C ATOM 448 CE LYS A 32 6.542 3.705 -7.753 1.00 12.33 C ATOM 449 NZ LYS A 32 7.221 3.080 -6.583 1.00 35.21 N ATOM 0 H LYS A 32 3.697 2.655 -4.340 1.00 73.32 H new ATOM 0 HA LYS A 32 2.186 1.630 -6.654 1.00 3.23 H new ATOM 0 HB2 LYS A 32 5.194 1.612 -6.237 1.00 60.13 H new ATOM 0 HB3 LYS A 32 4.390 0.473 -7.299 1.00 60.13 H new ATOM 0 HG2 LYS A 32 4.878 2.076 -8.852 1.00 41.22 H new ATOM 0 HG3 LYS A 32 3.336 2.715 -8.319 1.00 41.22 H new ATOM 0 HD2 LYS A 32 4.636 4.618 -8.129 1.00 41.13 H new ATOM 0 HD3 LYS A 32 4.813 3.974 -6.509 1.00 41.13 H new ATOM 0 HE2 LYS A 32 6.764 3.130 -8.652 1.00 12.33 H new ATOM 0 HE3 LYS A 32 6.939 4.708 -7.910 1.00 12.33 H new ATOM 0 HZ1 LYS A 32 8.191 3.448 -6.507 1.00 35.21 H new ATOM 0 HZ2 LYS A 32 6.695 3.307 -5.715 1.00 35.21 H new ATOM 0 HZ3 LYS A 32 7.251 2.048 -6.710 1.00 35.21 H new ATOM 459 N LEU A 33 2.045 -0.607 -5.583 1.00 1.24 N ATOM 460 CA LEU A 33 1.824 -1.857 -4.865 1.00 2.51 C ATOM 461 C LEU A 33 1.687 -3.026 -5.835 1.00 73.23 C ATOM 462 O LEU A 33 1.025 -2.914 -6.866 1.00 41.23 O ATOM 463 CB LEU A 33 0.573 -1.754 -3.993 1.00 23.45 C ATOM 464 CG LEU A 33 0.151 -0.342 -3.589 1.00 34.34 C ATOM 465 CD1 LEU A 33 -1.250 -0.349 -2.998 1.00 3.34 C ATOM 466 CD2 LEU A 33 1.145 0.249 -2.600 1.00 31.54 C ATOM 0 H LEU A 33 1.472 -0.494 -6.419 1.00 1.24 H new ATOM 0 HA LEU A 33 2.689 -2.038 -4.227 1.00 2.51 H new ATOM 0 HB2 LEU A 33 -0.256 -2.221 -4.525 1.00 23.45 H new ATOM 0 HB3 LEU A 33 0.738 -2.336 -3.086 1.00 23.45 H new ATOM 0 HG LEU A 33 0.142 0.282 -4.483 1.00 34.34 H new ATOM 0 HD11 LEU A 33 -1.531 0.666 -2.717 1.00 3.34 H new ATOM 0 HD12 LEU A 33 -1.955 -0.729 -3.737 1.00 3.34 H new ATOM 0 HD13 LEU A 33 -1.269 -0.989 -2.116 1.00 3.34 H new ATOM 0 HD21 LEU A 33 0.829 1.255 -2.323 1.00 31.54 H new ATOM 0 HD22 LEU A 33 1.187 -0.377 -1.708 1.00 31.54 H new ATOM 0 HD23 LEU A 33 2.133 0.293 -3.059 1.00 31.54 H new ATOM 477 N ASN A 34 2.315 -4.147 -5.497 1.00 0.31 N ATOM 478 CA ASN A 34 2.261 -5.338 -6.338 1.00 52.43 C ATOM 479 C ASN A 34 1.505 -6.462 -5.640 1.00 4.51 C ATOM 480 O ASN A 34 1.820 -6.830 -4.508 1.00 13.42 O ATOM 481 CB ASN A 34 3.676 -5.802 -6.692 1.00 30.13 C ATOM 482 CG ASN A 34 3.702 -7.223 -7.221 1.00 21.12 C ATOM 483 OD1 ASN A 34 2.798 -7.526 -8.146 1.00 20.15 O flip ATOM 484 ND2 ASN A 34 4.526 -8.037 -6.804 1.00 4.45 N flip ATOM 0 H ASN A 34 2.867 -4.256 -4.647 1.00 0.31 H new ATOM 0 HA ASN A 34 1.730 -5.082 -7.255 1.00 52.43 H new ATOM 0 HB2 ASN A 34 4.099 -5.131 -7.439 1.00 30.13 H new ATOM 0 HB3 ASN A 34 4.310 -5.735 -5.808 1.00 30.13 H new ATOM 0 HD21 ASN A 34 5.202 -7.759 -6.092 1.00 4.45 H new ATOM 0 HD22 ASN A 34 4.533 -8.989 -7.170 1.00 4.45 H new ATOM 490 N THR A 35 0.502 -7.009 -6.323 1.00 73.12 N ATOM 491 CA THR A 35 -0.300 -8.091 -5.770 1.00 24.11 C ATOM 492 C THR A 35 -0.552 -9.177 -6.810 1.00 53.03 C ATOM 493 O THR A 35 -0.102 -9.073 -7.950 1.00 43.13 O ATOM 494 CB THR A 35 -1.655 -7.576 -5.245 1.00 35.02 C ATOM 495 OG1 THR A 35 -2.505 -7.226 -6.343 1.00 50.33 O ATOM 496 CG2 THR A 35 -1.460 -6.367 -4.344 1.00 32.31 C ATOM 0 H THR A 35 0.227 -6.718 -7.261 1.00 73.12 H new ATOM 0 HA THR A 35 0.268 -8.511 -4.940 1.00 24.11 H new ATOM 0 HB THR A 35 -2.122 -8.372 -4.664 1.00 35.02 H new ATOM 0 HG1 THR A 35 -3.364 -6.901 -6.001 1.00 50.33 H new ATOM 0 HG21 THR A 35 -2.429 -6.021 -3.985 1.00 32.31 H new ATOM 0 HG22 THR A 35 -0.836 -6.643 -3.494 1.00 32.31 H new ATOM 0 HG23 THR A 35 -0.975 -5.569 -4.906 1.00 32.31 H new ATOM 504 N GLY A 36 -1.273 -10.218 -6.408 1.00 43.44 N ATOM 505 CA GLY A 36 -1.571 -11.309 -7.320 1.00 30.31 C ATOM 506 C GLY A 36 -0.364 -12.183 -7.593 1.00 71.41 C ATOM 507 O GLY A 36 0.200 -12.780 -6.675 1.00 62.04 O ATOM 0 H GLY A 36 -1.656 -10.327 -5.469 1.00 43.44 H new ATOM 0 HA2 GLY A 36 -2.371 -11.920 -6.901 1.00 30.31 H new ATOM 0 HA3 GLY A 36 -1.941 -10.901 -8.261 1.00 30.31 H new ATOM 511 N ARG A 37 0.034 -12.260 -8.859 1.00 13.55 N ATOM 512 CA ARG A 37 1.182 -13.069 -9.252 1.00 4.02 C ATOM 513 C ARG A 37 2.313 -12.191 -9.780 1.00 21.53 C ATOM 514 O ARG A 37 3.487 -12.444 -9.511 1.00 72.53 O ATOM 515 CB ARG A 37 0.773 -14.089 -10.317 1.00 33.35 C ATOM 516 CG ARG A 37 0.411 -15.451 -9.751 1.00 11.44 C ATOM 517 CD ARG A 37 -0.829 -15.378 -8.872 1.00 43.55 C ATOM 518 NE ARG A 37 -1.393 -16.700 -8.612 1.00 24.44 N ATOM 519 CZ ARG A 37 -2.610 -16.894 -8.117 1.00 64.03 C ATOM 520 NH1 ARG A 37 -3.386 -15.858 -7.831 1.00 44.12 N ATOM 521 NH2 ARG A 37 -3.053 -18.127 -7.907 1.00 3.41 N ATOM 0 H ARG A 37 -0.422 -11.772 -9.630 1.00 13.55 H new ATOM 0 HA ARG A 37 1.540 -13.599 -8.369 1.00 4.02 H new ATOM 0 HB2 ARG A 37 -0.079 -13.698 -10.873 1.00 33.35 H new ATOM 0 HB3 ARG A 37 1.591 -14.207 -11.028 1.00 33.35 H new ATOM 0 HG2 ARG A 37 0.238 -16.151 -10.568 1.00 11.44 H new ATOM 0 HG3 ARG A 37 1.248 -15.839 -9.170 1.00 11.44 H new ATOM 0 HD2 ARG A 37 -0.575 -14.899 -7.926 1.00 43.55 H new ATOM 0 HD3 ARG A 37 -1.579 -14.752 -9.355 1.00 43.55 H new ATOM 0 HE ARG A 37 -0.821 -17.518 -8.822 1.00 24.44 H new ATOM 0 HH11 ARG A 37 -3.049 -14.909 -7.991 1.00 44.12 H new ATOM 0 HH12 ARG A 37 -4.320 -16.010 -7.451 1.00 44.12 H new ATOM 0 HH21 ARG A 37 -2.459 -18.927 -8.126 1.00 3.41 H new ATOM 0 HH22 ARG A 37 -3.988 -18.275 -7.527 1.00 3.41 H new ATOM 532 N THR A 38 1.948 -11.157 -10.532 1.00 31.50 N ATOM 533 CA THR A 38 2.932 -10.242 -11.099 1.00 5.14 C ATOM 534 C THR A 38 2.269 -9.228 -12.026 1.00 23.15 C ATOM 535 O THR A 38 2.761 -8.114 -12.193 1.00 21.34 O ATOM 536 CB THR A 38 4.019 -11.001 -11.882 1.00 1.34 C ATOM 537 OG1 THR A 38 3.549 -12.306 -12.236 1.00 23.31 O ATOM 538 CG2 THR A 38 5.293 -11.122 -11.060 1.00 3.31 C ATOM 0 H THR A 38 0.980 -10.932 -10.762 1.00 31.50 H new ATOM 0 HA THR A 38 3.396 -9.718 -10.263 1.00 5.14 H new ATOM 0 HB THR A 38 4.241 -10.438 -12.788 1.00 1.34 H new ATOM 0 HG1 THR A 38 4.246 -12.781 -12.735 1.00 23.31 H new ATOM 0 HG21 THR A 38 6.046 -11.662 -11.634 1.00 3.31 H new ATOM 0 HG22 THR A 38 5.666 -10.127 -10.818 1.00 3.31 H new ATOM 0 HG23 THR A 38 5.081 -11.664 -10.139 1.00 3.31 H new ATOM 546 N GLU A 39 1.149 -9.623 -12.623 1.00 11.02 N ATOM 547 CA GLU A 39 0.419 -8.748 -13.533 1.00 14.23 C ATOM 548 C GLU A 39 -0.766 -8.097 -12.827 1.00 65.01 C ATOM 549 O GLU A 39 -1.806 -7.850 -13.437 1.00 24.30 O ATOM 550 CB GLU A 39 -0.066 -9.533 -14.752 1.00 72.35 C ATOM 551 CG GLU A 39 1.048 -10.245 -15.501 1.00 21.22 C ATOM 552 CD GLU A 39 0.562 -11.480 -16.233 1.00 2.42 C ATOM 553 OE1 GLU A 39 -0.664 -11.721 -16.244 1.00 70.21 O ATOM 554 OE2 GLU A 39 1.406 -12.208 -16.795 1.00 75.13 O ATOM 0 H GLU A 39 0.728 -10.543 -12.493 1.00 11.02 H new ATOM 0 HA GLU A 39 1.098 -7.962 -13.864 1.00 14.23 H new ATOM 0 HB2 GLU A 39 -0.803 -10.268 -14.430 1.00 72.35 H new ATOM 0 HB3 GLU A 39 -0.573 -8.851 -15.435 1.00 72.35 H new ATOM 0 HG2 GLU A 39 1.497 -9.556 -16.217 1.00 21.22 H new ATOM 0 HG3 GLU A 39 1.830 -10.529 -14.797 1.00 21.22 H new ATOM 559 N ALA A 40 -0.603 -7.824 -11.536 1.00 63.25 N ATOM 560 CA ALA A 40 -1.659 -7.202 -10.748 1.00 23.53 C ATOM 561 C ALA A 40 -1.181 -5.897 -10.122 1.00 72.14 C ATOM 562 O ALA A 40 -1.966 -5.152 -9.535 1.00 42.23 O ATOM 563 CB ALA A 40 -2.145 -8.158 -9.669 1.00 70.41 C ATOM 0 H ALA A 40 0.250 -8.024 -11.014 1.00 63.25 H new ATOM 0 HA ALA A 40 -2.489 -6.972 -11.416 1.00 23.53 H new ATOM 0 HB1 ALA A 40 -2.934 -7.680 -9.088 1.00 70.41 H new ATOM 0 HB2 ALA A 40 -2.535 -9.064 -10.134 1.00 70.41 H new ATOM 0 HB3 ALA A 40 -1.315 -8.416 -9.011 1.00 70.41 H new ATOM 569 N TRP A 41 0.113 -5.623 -10.252 1.00 12.02 N ATOM 570 CA TRP A 41 0.697 -4.407 -9.697 1.00 5.22 C ATOM 571 C TRP A 41 0.056 -3.167 -10.311 1.00 24.34 C ATOM 572 O TRP A 41 -0.047 -3.049 -11.533 1.00 73.20 O ATOM 573 CB TRP A 41 2.208 -4.387 -9.937 1.00 31.25 C ATOM 574 CG TRP A 41 2.579 -4.209 -11.377 1.00 51.12 C ATOM 575 CD1 TRP A 41 2.329 -5.077 -12.402 1.00 62.11 C ATOM 576 CD2 TRP A 41 3.267 -3.094 -11.954 1.00 34.40 C ATOM 577 NE1 TRP A 41 2.821 -4.568 -13.580 1.00 12.15 N ATOM 578 CE2 TRP A 41 3.401 -3.353 -13.332 1.00 21.42 C ATOM 579 CE3 TRP A 41 3.782 -1.900 -11.439 1.00 52.34 C ATOM 580 CZ2 TRP A 41 4.029 -2.463 -14.199 1.00 32.52 C ATOM 581 CZ3 TRP A 41 4.407 -1.018 -12.301 1.00 23.23 C ATOM 582 CH2 TRP A 41 4.524 -1.302 -13.669 1.00 5.14 C ATOM 0 H TRP A 41 0.777 -6.226 -10.737 1.00 12.02 H new ATOM 0 HA TRP A 41 0.507 -4.399 -8.624 1.00 5.22 H new ATOM 0 HB2 TRP A 41 2.651 -3.580 -9.353 1.00 31.25 H new ATOM 0 HB3 TRP A 41 2.639 -5.319 -9.571 1.00 31.25 H new ATOM 0 HD1 TRP A 41 1.820 -6.024 -12.301 1.00 62.11 H new ATOM 0 HE1 TRP A 41 2.763 -5.022 -14.492 1.00 12.15 H new ATOM 0 HE3 TRP A 41 3.693 -1.671 -10.387 1.00 52.34 H new ATOM 0 HZ2 TRP A 41 4.122 -2.681 -15.253 1.00 32.52 H new ATOM 0 HZ3 TRP A 41 4.812 -0.095 -11.914 1.00 23.23 H new ATOM 0 HH2 TRP A 41 5.014 -0.591 -14.317 1.00 5.14 H new ATOM 592 N LYS A 42 -0.374 -2.245 -9.457 1.00 61.44 N ATOM 593 CA LYS A 42 -1.003 -1.011 -9.916 1.00 5.34 C ATOM 594 C LYS A 42 -0.464 0.192 -9.150 1.00 63.45 C ATOM 595 O LYS A 42 -0.014 0.066 -8.011 1.00 3.31 O ATOM 596 CB LYS A 42 -2.522 -1.097 -9.747 1.00 43.43 C ATOM 597 CG LYS A 42 -2.966 -1.250 -8.302 1.00 41.44 C ATOM 598 CD LYS A 42 -3.294 -2.697 -7.970 1.00 21.12 C ATOM 599 CE LYS A 42 -3.586 -2.876 -6.488 1.00 65.15 C ATOM 600 NZ LYS A 42 -3.768 -4.309 -6.128 1.00 62.35 N ATOM 0 H LYS A 42 -0.299 -2.328 -8.443 1.00 61.44 H new ATOM 0 HA LYS A 42 -0.766 -0.882 -10.972 1.00 5.34 H new ATOM 0 HB2 LYS A 42 -2.977 -0.199 -10.165 1.00 43.43 H new ATOM 0 HB3 LYS A 42 -2.896 -1.942 -10.325 1.00 43.43 H new ATOM 0 HG2 LYS A 42 -2.178 -0.893 -7.639 1.00 41.44 H new ATOM 0 HG3 LYS A 42 -3.842 -0.627 -8.121 1.00 41.44 H new ATOM 0 HD2 LYS A 42 -4.157 -3.019 -8.553 1.00 21.12 H new ATOM 0 HD3 LYS A 42 -2.459 -3.336 -8.257 1.00 21.12 H new ATOM 0 HE2 LYS A 42 -2.768 -2.456 -5.903 1.00 65.15 H new ATOM 0 HE3 LYS A 42 -4.485 -2.318 -6.225 1.00 65.15 H new ATOM 0 HZ1 LYS A 42 -3.965 -4.389 -5.110 1.00 62.35 H new ATOM 0 HZ2 LYS A 42 -4.565 -4.704 -6.667 1.00 62.35 H new ATOM 0 HZ3 LYS A 42 -2.901 -4.837 -6.355 1.00 62.35 H new ATOM 610 N VAL A 43 -0.514 1.361 -9.783 1.00 54.42 N ATOM 611 CA VAL A 43 -0.032 2.588 -9.159 1.00 50.34 C ATOM 612 C VAL A 43 -1.138 3.270 -8.363 1.00 14.44 C ATOM 613 O VAL A 43 -2.193 3.603 -8.904 1.00 4.15 O ATOM 614 CB VAL A 43 0.512 3.574 -10.210 1.00 70.14 C ATOM 615 CG1 VAL A 43 1.836 3.080 -10.774 1.00 4.14 C ATOM 616 CG2 VAL A 43 -0.506 3.782 -11.322 1.00 54.15 C ATOM 0 H VAL A 43 -0.883 1.484 -10.726 1.00 54.42 H new ATOM 0 HA VAL A 43 0.776 2.305 -8.484 1.00 50.34 H new ATOM 0 HB VAL A 43 0.688 4.534 -9.724 1.00 70.14 H new ATOM 0 HG11 VAL A 43 2.204 3.790 -11.515 1.00 4.14 H new ATOM 0 HG12 VAL A 43 2.563 2.988 -9.967 1.00 4.14 H new ATOM 0 HG13 VAL A 43 1.691 2.108 -11.245 1.00 4.14 H new ATOM 0 HG21 VAL A 43 -0.105 4.481 -12.056 1.00 54.15 H new ATOM 0 HG22 VAL A 43 -0.716 2.828 -11.806 1.00 54.15 H new ATOM 0 HG23 VAL A 43 -1.427 4.186 -10.901 1.00 54.15 H new ATOM 626 N LEU A 44 -0.889 3.475 -7.074 1.00 72.23 N ATOM 627 CA LEU A 44 -1.865 4.119 -6.199 1.00 54.32 C ATOM 628 C LEU A 44 -1.695 5.635 -6.219 1.00 4.14 C ATOM 629 O LEU A 44 -0.579 6.144 -6.326 1.00 12.04 O ATOM 630 CB LEU A 44 -1.719 3.597 -4.769 1.00 43.13 C ATOM 631 CG LEU A 44 -2.802 2.625 -4.297 1.00 31.51 C ATOM 632 CD1 LEU A 44 -4.052 3.383 -3.876 1.00 4.11 C ATOM 633 CD2 LEU A 44 -3.129 1.618 -5.391 1.00 22.14 C ATOM 0 H LEU A 44 -0.021 3.205 -6.611 1.00 72.23 H new ATOM 0 HA LEU A 44 -2.862 3.878 -6.567 1.00 54.32 H new ATOM 0 HB2 LEU A 44 -0.751 3.103 -4.681 1.00 43.13 H new ATOM 0 HB3 LEU A 44 -1.704 4.451 -4.091 1.00 43.13 H new ATOM 0 HG LEU A 44 -2.423 2.081 -3.432 1.00 31.51 H new ATOM 0 HD11 LEU A 44 -4.812 2.676 -3.543 1.00 4.11 H new ATOM 0 HD12 LEU A 44 -3.807 4.063 -3.060 1.00 4.11 H new ATOM 0 HD13 LEU A 44 -4.434 3.954 -4.722 1.00 4.11 H new ATOM 0 HD21 LEU A 44 -3.901 0.935 -5.038 1.00 22.14 H new ATOM 0 HD22 LEU A 44 -3.488 2.145 -6.275 1.00 22.14 H new ATOM 0 HD23 LEU A 44 -2.232 1.052 -5.645 1.00 22.14 H new ATOM 644 N SER A 45 -2.810 6.350 -6.113 1.00 23.41 N ATOM 645 CA SER A 45 -2.785 7.809 -6.120 1.00 2.22 C ATOM 646 C SER A 45 -3.489 8.369 -4.887 1.00 61.14 C ATOM 647 O SER A 45 -4.207 7.666 -4.177 1.00 11.13 O ATOM 648 CB SER A 45 -3.451 8.345 -7.389 1.00 71.13 C ATOM 649 OG SER A 45 -2.488 8.860 -8.290 1.00 53.14 O ATOM 0 H SER A 45 -3.741 5.944 -6.021 1.00 23.41 H new ATOM 0 HA SER A 45 -1.744 8.131 -6.101 1.00 2.22 H new ATOM 0 HB2 SER A 45 -4.016 7.548 -7.872 1.00 71.13 H new ATOM 0 HB3 SER A 45 -4.164 9.127 -7.127 1.00 71.13 H new ATOM 0 HG SER A 45 -2.938 9.195 -9.094 1.00 53.14 H new ATOM 772 N ALA A 56 -9.018 1.053 -2.942 1.00 41.23 N ATOM 773 CA ALA A 56 -8.561 1.641 -1.689 1.00 64.32 C ATOM 774 C ALA A 56 -8.515 3.163 -1.781 1.00 3.14 C ATOM 775 O ALA A 56 -8.685 3.734 -2.857 1.00 64.21 O ATOM 776 CB ALA A 56 -7.193 1.090 -1.315 1.00 25.41 C ATOM 0 HA ALA A 56 -9.273 1.372 -0.909 1.00 64.32 H new ATOM 0 HB1 ALA A 56 -6.864 1.538 -0.377 1.00 25.41 H new ATOM 0 HB2 ALA A 56 -7.256 0.008 -1.198 1.00 25.41 H new ATOM 0 HB3 ALA A 56 -6.477 1.329 -2.102 1.00 25.41 H new ATOM 782 N ARG A 57 -8.283 3.812 -0.645 1.00 12.12 N ATOM 783 CA ARG A 57 -8.215 5.268 -0.598 1.00 24.42 C ATOM 784 C ARG A 57 -6.918 5.731 0.058 1.00 34.33 C ATOM 785 O ARG A 57 -6.274 4.976 0.787 1.00 1.33 O ATOM 786 CB ARG A 57 -9.415 5.830 0.166 1.00 10.32 C ATOM 787 CG ARG A 57 -10.600 4.881 0.223 1.00 31.53 C ATOM 788 CD ARG A 57 -10.547 3.995 1.459 1.00 62.22 C ATOM 789 NE ARG A 57 -10.712 4.763 2.690 1.00 22.33 N ATOM 790 CZ ARG A 57 -11.860 5.317 3.063 1.00 21.12 C ATOM 791 NH1 ARG A 57 -12.939 5.188 2.303 1.00 64.02 N ATOM 792 NH2 ARG A 57 -11.931 6.001 4.197 1.00 13.23 N ATOM 0 H ARG A 57 -8.139 3.353 0.255 1.00 12.12 H new ATOM 0 HA ARG A 57 -8.237 5.642 -1.622 1.00 24.42 H new ATOM 0 HB2 ARG A 57 -9.106 6.073 1.183 1.00 10.32 H new ATOM 0 HB3 ARG A 57 -9.729 6.762 -0.303 1.00 10.32 H new ATOM 0 HG2 ARG A 57 -11.527 5.455 0.225 1.00 31.53 H new ATOM 0 HG3 ARG A 57 -10.612 4.259 -0.672 1.00 31.53 H new ATOM 0 HD2 ARG A 57 -11.329 3.238 1.396 1.00 62.22 H new ATOM 0 HD3 ARG A 57 -9.594 3.467 1.486 1.00 62.22 H new ATOM 0 HE ARG A 57 -9.901 4.880 3.297 1.00 22.33 H new ATOM 0 HH11 ARG A 57 -12.888 4.663 1.430 1.00 64.02 H new ATOM 0 HH12 ARG A 57 -13.820 5.614 2.591 1.00 64.02 H new ATOM 0 HH21 ARG A 57 -11.103 6.102 4.784 1.00 13.23 H new ATOM 0 HH22 ARG A 57 -12.813 6.426 4.482 1.00 13.23 H new ATOM 803 N VAL A 58 -6.539 6.977 -0.206 1.00 71.43 N ATOM 804 CA VAL A 58 -5.320 7.541 0.358 1.00 72.44 C ATOM 805 C VAL A 58 -5.636 8.664 1.339 1.00 20.54 C ATOM 806 O VAL A 58 -6.408 9.574 1.031 1.00 60.15 O ATOM 807 CB VAL A 58 -4.389 8.083 -0.743 1.00 32.10 C ATOM 808 CG1 VAL A 58 -3.355 9.030 -0.152 1.00 22.35 C ATOM 809 CG2 VAL A 58 -3.714 6.938 -1.482 1.00 44.02 C ATOM 0 H VAL A 58 -7.060 7.615 -0.808 1.00 71.43 H new ATOM 0 HA VAL A 58 -4.814 6.733 0.886 1.00 72.44 H new ATOM 0 HB VAL A 58 -4.991 8.643 -1.459 1.00 32.10 H new ATOM 0 HG11 VAL A 58 -2.707 9.402 -0.945 1.00 22.35 H new ATOM 0 HG12 VAL A 58 -3.861 9.869 0.326 1.00 22.35 H new ATOM 0 HG13 VAL A 58 -2.755 8.499 0.587 1.00 22.35 H new ATOM 0 HG21 VAL A 58 -3.060 7.340 -2.256 1.00 44.02 H new ATOM 0 HG22 VAL A 58 -3.125 6.349 -0.779 1.00 44.02 H new ATOM 0 HG23 VAL A 58 -4.472 6.304 -1.941 1.00 44.02 H new ATOM 819 N LEU A 59 -5.035 8.597 2.522 1.00 64.33 N ATOM 820 CA LEU A 59 -5.253 9.609 3.550 1.00 42.14 C ATOM 821 C LEU A 59 -4.641 10.945 3.137 1.00 4.33 C ATOM 822 O LEU A 59 -3.734 11.010 2.307 1.00 44.21 O ATOM 823 CB LEU A 59 -4.653 9.151 4.880 1.00 43.53 C ATOM 824 CG LEU A 59 -5.394 8.022 5.597 1.00 24.54 C ATOM 825 CD1 LEU A 59 -4.564 7.488 6.754 1.00 61.55 C ATOM 826 CD2 LEU A 59 -6.751 8.504 6.089 1.00 0.25 C ATOM 0 H LEU A 59 -4.393 7.852 2.793 1.00 64.33 H new ATOM 0 HA LEU A 59 -6.328 9.743 3.670 1.00 42.14 H new ATOM 0 HB2 LEU A 59 -3.627 8.829 4.701 1.00 43.53 H new ATOM 0 HB3 LEU A 59 -4.606 10.010 5.549 1.00 43.53 H new ATOM 0 HG LEU A 59 -5.554 7.210 4.888 1.00 24.54 H new ATOM 0 HD11 LEU A 59 -5.108 6.685 7.252 1.00 61.55 H new ATOM 0 HD12 LEU A 59 -3.617 7.104 6.375 1.00 61.55 H new ATOM 0 HD13 LEU A 59 -4.372 8.291 7.465 1.00 61.55 H new ATOM 0 HD21 LEU A 59 -7.265 7.688 6.597 1.00 0.25 H new ATOM 0 HD22 LEU A 59 -6.613 9.333 6.783 1.00 0.25 H new ATOM 0 HD23 LEU A 59 -7.349 8.837 5.240 1.00 0.25 H new ATOM 837 N PRO A 60 -5.148 12.036 3.730 1.00 0.44 N ATOM 838 CA PRO A 60 -4.665 13.389 3.441 1.00 35.31 C ATOM 839 C PRO A 60 -3.258 13.630 3.979 1.00 21.31 C ATOM 840 O PRO A 60 -2.546 14.515 3.507 1.00 71.25 O ATOM 841 CB PRO A 60 -5.674 14.287 4.162 1.00 13.22 C ATOM 842 CG PRO A 60 -6.219 13.440 5.258 1.00 2.42 C ATOM 843 CD PRO A 60 -6.230 12.032 4.728 1.00 62.31 C ATOM 0 HA PRO A 60 -4.595 13.577 2.370 1.00 35.31 H new ATOM 0 HB2 PRO A 60 -5.195 15.184 4.555 1.00 13.22 H new ATOM 0 HB3 PRO A 60 -6.463 14.617 3.487 1.00 13.22 H new ATOM 0 HG2 PRO A 60 -5.601 13.515 6.153 1.00 2.42 H new ATOM 0 HG3 PRO A 60 -7.223 13.760 5.536 1.00 2.42 H new ATOM 0 HD2 PRO A 60 -6.046 11.304 5.518 1.00 62.31 H new ATOM 0 HD3 PRO A 60 -7.190 11.779 4.279 1.00 62.31 H new ATOM 848 N ASN A 61 -2.863 12.835 4.968 1.00 33.51 N ATOM 849 CA ASN A 61 -1.541 12.963 5.570 1.00 50.25 C ATOM 850 C ASN A 61 -0.496 12.216 4.747 1.00 55.21 C ATOM 851 O ASN A 61 0.686 12.206 5.089 1.00 12.41 O ATOM 852 CB ASN A 61 -1.557 12.427 7.004 1.00 70.22 C ATOM 853 CG ASN A 61 -2.232 11.074 7.108 1.00 3.22 C ATOM 854 OD1 ASN A 61 -2.375 10.361 6.114 1.00 23.10 O ATOM 855 ND2 ASN A 61 -2.651 10.713 8.315 1.00 41.23 N ATOM 0 H ASN A 61 -3.439 12.095 5.369 1.00 33.51 H new ATOM 0 HA ASN A 61 -1.277 14.020 5.588 1.00 50.25 H new ATOM 0 HB2 ASN A 61 -0.534 12.349 7.371 1.00 70.22 H new ATOM 0 HB3 ASN A 61 -2.073 13.138 7.649 1.00 70.22 H new ATOM 0 HD21 ASN A 61 -3.112 9.813 8.447 1.00 41.23 H new ATOM 0 HD22 ASN A 61 -2.511 11.336 9.111 1.00 41.23 H new ATOM 861 N GLY A 62 -0.940 11.592 3.661 1.00 0.21 N ATOM 862 CA GLY A 62 -0.030 10.852 2.806 1.00 3.24 C ATOM 863 C GLY A 62 0.051 9.384 3.179 1.00 15.42 C ATOM 864 O GLY A 62 1.088 8.747 2.996 1.00 0.41 O ATOM 0 H GLY A 62 -1.914 11.585 3.358 1.00 0.21 H new ATOM 0 HA2 GLY A 62 -0.355 10.943 1.770 1.00 3.24 H new ATOM 0 HA3 GLY A 62 0.964 11.295 2.869 1.00 3.24 H new ATOM 868 N SER A 63 -1.044 8.847 3.705 1.00 23.53 N ATOM 869 CA SER A 63 -1.092 7.447 4.110 1.00 72.31 C ATOM 870 C SER A 63 -2.026 6.650 3.204 1.00 30.20 C ATOM 871 O SER A 63 -2.629 7.197 2.279 1.00 13.35 O ATOM 872 CB SER A 63 -1.552 7.330 5.565 1.00 40.42 C ATOM 873 OG SER A 63 -0.450 7.384 6.455 1.00 43.22 O ATOM 0 H SER A 63 -1.911 9.361 3.861 1.00 23.53 H new ATOM 0 HA SER A 63 -0.087 7.034 4.020 1.00 72.31 H new ATOM 0 HB2 SER A 63 -2.249 8.136 5.795 1.00 40.42 H new ATOM 0 HB3 SER A 63 -2.091 6.393 5.705 1.00 40.42 H new ATOM 0 HG SER A 63 -0.771 7.309 7.378 1.00 43.22 H new ATOM 878 N LEU A 64 -2.141 5.356 3.476 1.00 53.44 N ATOM 879 CA LEU A 64 -3.001 4.481 2.686 1.00 62.11 C ATOM 880 C LEU A 64 -3.945 3.689 3.584 1.00 12.14 C ATOM 881 O LEU A 64 -3.513 3.041 4.539 1.00 73.42 O ATOM 882 CB LEU A 64 -2.155 3.523 1.847 1.00 51.21 C ATOM 883 CG LEU A 64 -2.927 2.539 0.967 1.00 64.11 C ATOM 884 CD1 LEU A 64 -3.271 3.176 -0.371 1.00 31.30 C ATOM 885 CD2 LEU A 64 -2.124 1.263 0.761 1.00 40.02 C ATOM 0 H LEU A 64 -1.650 4.888 4.238 1.00 53.44 H new ATOM 0 HA LEU A 64 -3.599 5.105 2.022 1.00 62.11 H new ATOM 0 HB2 LEU A 64 -1.500 4.114 1.207 1.00 51.21 H new ATOM 0 HB3 LEU A 64 -1.514 2.952 2.519 1.00 51.21 H new ATOM 0 HG LEU A 64 -3.857 2.281 1.474 1.00 64.11 H new ATOM 0 HD11 LEU A 64 -3.820 2.461 -0.984 1.00 31.30 H new ATOM 0 HD12 LEU A 64 -3.887 4.060 -0.205 1.00 31.30 H new ATOM 0 HD13 LEU A 64 -2.353 3.464 -0.884 1.00 31.30 H new ATOM 0 HD21 LEU A 64 -2.689 0.575 0.132 1.00 40.02 H new ATOM 0 HD22 LEU A 64 -1.178 1.503 0.276 1.00 40.02 H new ATOM 0 HD23 LEU A 64 -1.929 0.796 1.726 1.00 40.02 H new ATOM 896 N PHE A 65 -5.235 3.744 3.272 1.00 13.35 N ATOM 897 CA PHE A 65 -6.242 3.030 4.052 1.00 50.11 C ATOM 898 C PHE A 65 -7.102 2.148 3.151 1.00 51.24 C ATOM 899 O PHE A 65 -7.576 2.588 2.103 1.00 21.31 O ATOM 900 CB PHE A 65 -7.126 4.020 4.810 1.00 35.32 C ATOM 901 CG PHE A 65 -8.235 3.364 5.582 1.00 43.24 C ATOM 902 CD1 PHE A 65 -8.032 2.147 6.211 1.00 45.41 C ATOM 903 CD2 PHE A 65 -9.479 3.965 5.679 1.00 71.44 C ATOM 904 CE1 PHE A 65 -9.052 1.540 6.921 1.00 55.33 C ATOM 905 CE2 PHE A 65 -10.503 3.364 6.387 1.00 40.34 C ATOM 906 CZ PHE A 65 -10.288 2.151 7.010 1.00 11.13 C ATOM 0 H PHE A 65 -5.609 4.275 2.485 1.00 13.35 H new ATOM 0 HA PHE A 65 -5.726 2.392 4.770 1.00 50.11 H new ATOM 0 HB2 PHE A 65 -6.506 4.595 5.498 1.00 35.32 H new ATOM 0 HB3 PHE A 65 -7.556 4.727 4.101 1.00 35.32 H new ATOM 0 HD1 PHE A 65 -7.067 1.667 6.146 1.00 45.41 H new ATOM 0 HD2 PHE A 65 -9.651 4.915 5.195 1.00 71.44 H new ATOM 0 HE1 PHE A 65 -8.883 0.590 7.405 1.00 55.33 H new ATOM 0 HE2 PHE A 65 -11.469 3.842 6.453 1.00 40.34 H new ATOM 0 HZ PHE A 65 -11.085 1.680 7.566 1.00 11.13 H new ATOM 915 N LEU A 66 -7.297 0.902 3.566 1.00 63.40 N ATOM 916 CA LEU A 66 -8.100 -0.043 2.799 1.00 44.23 C ATOM 917 C LEU A 66 -9.359 -0.438 3.565 1.00 52.30 C ATOM 918 O LEU A 66 -9.305 -0.846 4.725 1.00 71.40 O ATOM 919 CB LEU A 66 -7.277 -1.291 2.469 1.00 24.31 C ATOM 920 CG LEU A 66 -6.202 -1.121 1.395 1.00 44.22 C ATOM 921 CD1 LEU A 66 -5.028 -0.321 1.938 1.00 62.15 C ATOM 922 CD2 LEU A 66 -5.736 -2.479 0.889 1.00 43.03 C ATOM 0 H LEU A 66 -6.910 0.522 4.430 1.00 63.40 H new ATOM 0 HA LEU A 66 -8.400 0.444 1.871 1.00 44.23 H new ATOM 0 HB2 LEU A 66 -6.797 -1.637 3.384 1.00 24.31 H new ATOM 0 HB3 LEU A 66 -7.960 -2.078 2.150 1.00 24.31 H new ATOM 0 HG LEU A 66 -6.634 -0.572 0.558 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -4.273 -0.210 1.160 1.00 62.15 H new ATOM 0 HD12 LEU A 66 -5.373 0.664 2.252 1.00 62.15 H new ATOM 0 HD13 LEU A 66 -4.596 -0.843 2.792 1.00 62.15 H new ATOM 0 HD21 LEU A 66 -4.971 -2.340 0.125 1.00 43.03 H new ATOM 0 HD22 LEU A 66 -5.321 -3.053 1.717 1.00 43.03 H new ATOM 0 HD23 LEU A 66 -6.582 -3.018 0.462 1.00 43.03 H new ATOM 933 N PRO A 67 -10.518 -0.317 2.901 1.00 53.31 N ATOM 934 CA PRO A 67 -11.811 -0.659 3.499 1.00 1.44 C ATOM 935 C PRO A 67 -11.975 -2.160 3.710 1.00 41.54 C ATOM 936 O PRO A 67 -12.630 -2.596 4.655 1.00 1.32 O ATOM 937 CB PRO A 67 -12.824 -0.150 2.470 1.00 32.31 C ATOM 938 CG PRO A 67 -12.085 -0.157 1.176 1.00 13.15 C ATOM 939 CD PRO A 67 -10.655 0.161 1.516 1.00 61.34 C ATOM 0 HA PRO A 67 -11.930 -0.219 4.489 1.00 1.44 H new ATOM 0 HB2 PRO A 67 -13.703 -0.794 2.428 1.00 32.31 H new ATOM 0 HB3 PRO A 67 -13.174 0.851 2.721 1.00 32.31 H new ATOM 0 HG2 PRO A 67 -12.163 -1.128 0.687 1.00 13.15 H new ATOM 0 HG3 PRO A 67 -12.496 0.581 0.487 1.00 13.15 H new ATOM 0 HD2 PRO A 67 -9.961 -0.346 0.846 1.00 61.34 H new ATOM 0 HD3 PRO A 67 -10.452 1.229 1.438 1.00 61.34 H new ATOM 944 N ALA A 68 -11.375 -2.947 2.822 1.00 43.25 N ATOM 945 CA ALA A 68 -11.451 -4.399 2.912 1.00 53.23 C ATOM 946 C ALA A 68 -10.400 -5.061 2.027 1.00 43.54 C ATOM 947 O ALA A 68 -10.562 -5.143 0.809 1.00 23.03 O ATOM 948 CB ALA A 68 -12.843 -4.878 2.528 1.00 11.34 C ATOM 0 H ALA A 68 -10.831 -2.602 2.032 1.00 43.25 H new ATOM 0 HA ALA A 68 -11.251 -4.685 3.945 1.00 53.23 H new ATOM 0 HB1 ALA A 68 -12.886 -5.965 2.599 1.00 11.34 H new ATOM 0 HB2 ALA A 68 -13.578 -4.440 3.204 1.00 11.34 H new ATOM 0 HB3 ALA A 68 -13.064 -4.573 1.505 1.00 11.34 H new ATOM 954 N VAL A 69 -9.321 -5.531 2.646 1.00 34.54 N ATOM 955 CA VAL A 69 -8.244 -6.186 1.914 1.00 31.33 C ATOM 956 C VAL A 69 -8.669 -7.566 1.428 1.00 41.01 C ATOM 957 O VAL A 69 -8.996 -8.443 2.227 1.00 42.12 O ATOM 958 CB VAL A 69 -6.980 -6.326 2.784 1.00 31.21 C ATOM 959 CG1 VAL A 69 -6.415 -4.956 3.129 1.00 0.53 C ATOM 960 CG2 VAL A 69 -7.287 -7.119 4.045 1.00 34.45 C ATOM 0 H VAL A 69 -9.170 -5.470 3.653 1.00 34.54 H new ATOM 0 HA VAL A 69 -8.017 -5.556 1.054 1.00 31.33 H new ATOM 0 HB VAL A 69 -6.226 -6.870 2.215 1.00 31.21 H new ATOM 0 HG11 VAL A 69 -5.523 -5.075 3.744 1.00 0.53 H new ATOM 0 HG12 VAL A 69 -6.156 -4.428 2.211 1.00 0.53 H new ATOM 0 HG13 VAL A 69 -7.161 -4.383 3.679 1.00 0.53 H new ATOM 0 HG21 VAL A 69 -6.383 -7.208 4.648 1.00 34.45 H new ATOM 0 HG22 VAL A 69 -8.057 -6.605 4.620 1.00 34.45 H new ATOM 0 HG23 VAL A 69 -7.641 -8.113 3.772 1.00 34.45 H new ATOM 970 N GLY A 70 -8.661 -7.752 0.112 1.00 63.02 N ATOM 971 CA GLY A 70 -9.048 -9.029 -0.459 1.00 63.32 C ATOM 972 C GLY A 70 -7.865 -9.952 -0.671 1.00 41.23 C ATOM 973 O GLY A 70 -6.723 -9.498 -0.750 1.00 11.42 O ATOM 0 H GLY A 70 -8.394 -7.041 -0.569 1.00 63.02 H new ATOM 0 HA2 GLY A 70 -9.770 -9.514 0.199 1.00 63.32 H new ATOM 0 HA3 GLY A 70 -9.549 -8.860 -1.412 1.00 63.32 H new ATOM 977 N ILE A 71 -8.137 -11.250 -0.763 1.00 35.24 N ATOM 978 CA ILE A 71 -7.085 -12.237 -0.967 1.00 53.14 C ATOM 979 C ILE A 71 -6.248 -11.904 -2.198 1.00 71.22 C ATOM 980 O ILE A 71 -5.059 -12.212 -2.254 1.00 1.34 O ATOM 981 CB ILE A 71 -7.665 -13.654 -1.124 1.00 63.51 C ATOM 982 CG1 ILE A 71 -6.700 -14.692 -0.547 1.00 44.02 C ATOM 983 CG2 ILE A 71 -7.955 -13.948 -2.588 1.00 2.31 C ATOM 984 CD1 ILE A 71 -6.657 -15.981 -1.336 1.00 45.44 C ATOM 0 H ILE A 71 -9.077 -11.642 -0.699 1.00 35.24 H new ATOM 0 HA ILE A 71 -6.451 -12.208 -0.081 1.00 53.14 H new ATOM 0 HB ILE A 71 -8.602 -13.710 -0.570 1.00 63.51 H new ATOM 0 HG12 ILE A 71 -5.698 -14.264 -0.511 1.00 44.02 H new ATOM 0 HG13 ILE A 71 -6.989 -14.914 0.480 1.00 44.02 H new ATOM 0 HG21 ILE A 71 -8.365 -14.954 -2.683 1.00 2.31 H new ATOM 0 HG22 ILE A 71 -8.676 -13.225 -2.968 1.00 2.31 H new ATOM 0 HG23 ILE A 71 -7.032 -13.876 -3.163 1.00 2.31 H new ATOM 0 HD11 ILE A 71 -5.953 -16.670 -0.870 1.00 45.44 H new ATOM 0 HD12 ILE A 71 -7.649 -16.432 -1.351 1.00 45.44 H new ATOM 0 HD13 ILE A 71 -6.338 -15.772 -2.357 1.00 45.44 H new ATOM 995 N GLN A 72 -6.879 -11.268 -3.181 1.00 73.43 N ATOM 996 CA GLN A 72 -6.192 -10.891 -4.410 1.00 32.41 C ATOM 997 C GLN A 72 -5.290 -9.682 -4.181 1.00 42.33 C ATOM 998 O GLN A 72 -4.333 -9.460 -4.924 1.00 61.21 O ATOM 999 CB GLN A 72 -7.206 -10.585 -5.513 1.00 62.40 C ATOM 1000 CG GLN A 72 -8.217 -9.515 -5.130 1.00 5.23 C ATOM 1001 CD GLN A 72 -9.106 -9.110 -6.288 1.00 71.35 C ATOM 1002 OE1 GLN A 72 -10.332 -9.171 -6.197 1.00 74.22 O ATOM 1003 NE2 GLN A 72 -8.491 -8.692 -7.390 1.00 13.11 N ATOM 0 H GLN A 72 -7.864 -11.004 -3.150 1.00 73.43 H new ATOM 0 HA GLN A 72 -5.571 -11.731 -4.721 1.00 32.41 H new ATOM 0 HB2 GLN A 72 -6.672 -10.265 -6.408 1.00 62.40 H new ATOM 0 HB3 GLN A 72 -7.738 -11.501 -5.770 1.00 62.40 H new ATOM 0 HG2 GLN A 72 -8.837 -9.883 -4.312 1.00 5.23 H new ATOM 0 HG3 GLN A 72 -7.688 -8.637 -4.759 1.00 5.23 H new ATOM 0 HE21 GLN A 72 -7.472 -8.657 -7.423 1.00 13.11 H new ATOM 0 HE22 GLN A 72 -9.038 -8.406 -8.202 1.00 13.11 H new ATOM 1010 N ASP A 73 -5.603 -8.904 -3.151 1.00 63.02 N ATOM 1011 CA ASP A 73 -4.822 -7.717 -2.825 1.00 30.32 C ATOM 1012 C ASP A 73 -3.503 -8.102 -2.163 1.00 33.43 C ATOM 1013 O ASP A 73 -2.661 -7.245 -1.893 1.00 53.34 O ATOM 1014 CB ASP A 73 -5.619 -6.792 -1.905 1.00 3.03 C ATOM 1015 CG ASP A 73 -6.332 -5.691 -2.666 1.00 52.42 C ATOM 1016 OD1 ASP A 73 -6.483 -5.824 -3.898 1.00 42.24 O ATOM 1017 OD2 ASP A 73 -6.741 -4.699 -2.029 1.00 70.10 O ATOM 0 H ASP A 73 -6.392 -9.074 -2.527 1.00 63.02 H new ATOM 0 HA ASP A 73 -4.602 -7.189 -3.753 1.00 30.32 H new ATOM 0 HB2 ASP A 73 -6.351 -7.379 -1.350 1.00 3.03 H new ATOM 0 HB3 ASP A 73 -4.947 -6.346 -1.172 1.00 3.03 H new ATOM 1021 N GLU A 74 -3.331 -9.393 -1.901 1.00 3.42 N ATOM 1022 CA GLU A 74 -2.116 -9.890 -1.268 1.00 74.12 C ATOM 1023 C GLU A 74 -0.889 -9.569 -2.118 1.00 41.20 C ATOM 1024 O GLU A 74 -0.932 -9.653 -3.344 1.00 63.55 O ATOM 1025 CB GLU A 74 -2.212 -11.400 -1.039 1.00 61.12 C ATOM 1026 CG GLU A 74 -2.220 -12.210 -2.325 1.00 74.33 C ATOM 1027 CD GLU A 74 -0.858 -12.787 -2.659 1.00 41.50 C ATOM 1028 OE1 GLU A 74 -0.138 -13.190 -1.721 1.00 32.30 O ATOM 1029 OE2 GLU A 74 -0.512 -12.837 -3.858 1.00 73.44 O ATOM 0 H GLU A 74 -4.019 -10.115 -2.118 1.00 3.42 H new ATOM 0 HA GLU A 74 -2.010 -9.391 -0.305 1.00 74.12 H new ATOM 0 HB2 GLU A 74 -1.372 -11.720 -0.423 1.00 61.12 H new ATOM 0 HB3 GLU A 74 -3.120 -11.617 -0.477 1.00 61.12 H new ATOM 0 HG2 GLU A 74 -2.942 -13.022 -2.234 1.00 74.33 H new ATOM 0 HG3 GLU A 74 -2.554 -11.577 -3.147 1.00 74.33 H new ATOM 1034 N GLY A 75 0.204 -9.203 -1.457 1.00 2.14 N ATOM 1035 CA GLY A 75 1.427 -8.876 -2.166 1.00 24.30 C ATOM 1036 C GLY A 75 2.352 -7.995 -1.350 1.00 14.12 C ATOM 1037 O GLY A 75 2.507 -8.195 -0.146 1.00 1.41 O ATOM 0 H GLY A 75 0.265 -9.127 -0.442 1.00 2.14 H new ATOM 0 HA2 GLY A 75 1.947 -9.797 -2.431 1.00 24.30 H new ATOM 0 HA3 GLY A 75 1.178 -8.371 -3.099 1.00 24.30 H new ATOM 1041 N ILE A 76 2.971 -7.021 -2.008 1.00 71.31 N ATOM 1042 CA ILE A 76 3.887 -6.108 -1.335 1.00 21.01 C ATOM 1043 C ILE A 76 3.577 -4.657 -1.691 1.00 70.03 C ATOM 1044 O ILE A 76 3.352 -4.328 -2.856 1.00 23.22 O ATOM 1045 CB ILE A 76 5.353 -6.413 -1.699 1.00 34.30 C ATOM 1046 CG1 ILE A 76 5.578 -7.923 -1.780 1.00 22.51 C ATOM 1047 CG2 ILE A 76 6.292 -5.786 -0.679 1.00 73.32 C ATOM 1048 CD1 ILE A 76 5.371 -8.491 -3.167 1.00 4.51 C ATOM 0 H ILE A 76 2.855 -6.844 -3.006 1.00 71.31 H new ATOM 0 HA ILE A 76 3.749 -6.254 -0.264 1.00 21.01 H new ATOM 0 HB ILE A 76 5.567 -5.981 -2.676 1.00 34.30 H new ATOM 0 HG12 ILE A 76 6.592 -8.149 -1.451 1.00 22.51 H new ATOM 0 HG13 ILE A 76 4.900 -8.421 -1.087 1.00 22.51 H new ATOM 0 HG21 ILE A 76 7.324 -6.010 -0.949 1.00 73.32 H new ATOM 0 HG22 ILE A 76 6.146 -4.706 -0.666 1.00 73.32 H new ATOM 0 HG23 ILE A 76 6.079 -6.193 0.310 1.00 73.32 H new ATOM 0 HD11 ILE A 76 5.547 -9.566 -3.150 1.00 4.51 H new ATOM 0 HD12 ILE A 76 4.349 -8.296 -3.491 1.00 4.51 H new ATOM 0 HD13 ILE A 76 6.068 -8.020 -3.861 1.00 4.51 H new ATOM 1059 N PHE A 77 3.570 -3.794 -0.680 1.00 4.51 N ATOM 1060 CA PHE A 77 3.288 -2.379 -0.886 1.00 33.14 C ATOM 1061 C PHE A 77 4.568 -1.553 -0.804 1.00 54.23 C ATOM 1062 O PHE A 77 5.316 -1.640 0.171 1.00 30.32 O ATOM 1063 CB PHE A 77 2.280 -1.881 0.152 1.00 12.43 C ATOM 1064 CG PHE A 77 0.914 -2.488 0.000 1.00 53.11 C ATOM 1065 CD1 PHE A 77 0.722 -3.848 0.185 1.00 24.20 C ATOM 1066 CD2 PHE A 77 -0.176 -1.699 -0.328 1.00 14.22 C ATOM 1067 CE1 PHE A 77 -0.534 -4.410 0.045 1.00 32.25 C ATOM 1068 CE2 PHE A 77 -1.433 -2.254 -0.467 1.00 43.24 C ATOM 1069 CZ PHE A 77 -1.612 -3.610 -0.282 1.00 5.54 C ATOM 0 H PHE A 77 3.756 -4.050 0.290 1.00 4.51 H new ATOM 0 HA PHE A 77 2.862 -2.260 -1.882 1.00 33.14 H new ATOM 0 HB2 PHE A 77 2.658 -2.103 1.150 1.00 12.43 H new ATOM 0 HB3 PHE A 77 2.198 -0.797 0.076 1.00 12.43 H new ATOM 0 HD1 PHE A 77 1.562 -4.476 0.441 1.00 24.20 H new ATOM 0 HD2 PHE A 77 -0.041 -0.638 -0.477 1.00 14.22 H new ATOM 0 HE1 PHE A 77 -0.672 -5.471 0.191 1.00 32.25 H new ATOM 0 HE2 PHE A 77 -2.275 -1.627 -0.720 1.00 43.24 H new ATOM 0 HZ PHE A 77 -2.594 -4.045 -0.393 1.00 5.54 H new ATOM 1078 N ARG A 78 4.816 -0.752 -1.835 1.00 43.31 N ATOM 1079 CA ARG A 78 6.006 0.088 -1.883 1.00 15.44 C ATOM 1080 C ARG A 78 5.634 1.545 -2.136 1.00 63.32 C ATOM 1081 O ARG A 78 4.868 1.851 -3.050 1.00 72.34 O ATOM 1082 CB ARG A 78 6.961 -0.403 -2.973 1.00 73.35 C ATOM 1083 CG ARG A 78 8.236 -1.026 -2.430 1.00 4.11 C ATOM 1084 CD ARG A 78 9.310 0.022 -2.189 1.00 13.20 C ATOM 1085 NE ARG A 78 9.628 0.770 -3.403 1.00 32.02 N ATOM 1086 CZ ARG A 78 10.118 2.006 -3.397 1.00 3.13 C ATOM 1087 NH1 ARG A 78 10.344 2.626 -2.249 1.00 22.53 N ATOM 1088 NH2 ARG A 78 10.382 2.620 -4.543 1.00 70.41 N ATOM 0 H ARG A 78 4.208 -0.667 -2.649 1.00 43.31 H new ATOM 0 HA ARG A 78 6.505 0.021 -0.916 1.00 15.44 H new ATOM 0 HB2 ARG A 78 6.445 -1.135 -3.594 1.00 73.35 H new ATOM 0 HB3 ARG A 78 7.223 0.435 -3.619 1.00 73.35 H new ATOM 0 HG2 ARG A 78 8.019 -1.547 -1.497 1.00 4.11 H new ATOM 0 HG3 ARG A 78 8.606 -1.772 -3.133 1.00 4.11 H new ATOM 0 HD2 ARG A 78 8.975 0.713 -1.415 1.00 13.20 H new ATOM 0 HD3 ARG A 78 10.212 -0.463 -1.815 1.00 13.20 H new ATOM 0 HE ARG A 78 9.465 0.320 -4.304 1.00 32.02 H new ATOM 0 HH11 ARG A 78 10.142 2.155 -1.367 1.00 22.53 H new ATOM 0 HH12 ARG A 78 10.720 3.574 -2.247 1.00 22.53 H new ATOM 0 HH21 ARG A 78 10.209 2.144 -5.428 1.00 70.41 H new ATOM 0 HH22 ARG A 78 10.758 3.568 -4.539 1.00 70.41 H new ATOM 1099 N CYS A 79 6.179 2.442 -1.321 1.00 34.24 N ATOM 1100 CA CYS A 79 5.903 3.866 -1.455 1.00 73.25 C ATOM 1101 C CYS A 79 7.189 4.647 -1.714 1.00 0.11 C ATOM 1102 O CYS A 79 8.269 4.240 -1.290 1.00 14.53 O ATOM 1103 CB CYS A 79 5.219 4.396 -0.193 1.00 23.43 C ATOM 1104 SG CYS A 79 6.218 5.591 0.750 1.00 23.24 S ATOM 0 H CYS A 79 6.816 2.206 -0.560 1.00 34.24 H new ATOM 0 HA CYS A 79 5.236 4.002 -2.307 1.00 73.25 H new ATOM 0 HB2 CYS A 79 4.278 4.868 -0.474 1.00 23.43 H new ATOM 0 HB3 CYS A 79 4.973 3.554 0.454 1.00 23.43 H new ATOM 1108 N GLN A 80 7.063 5.769 -2.414 1.00 33.42 N ATOM 1109 CA GLN A 80 8.214 6.607 -2.730 1.00 12.34 C ATOM 1110 C GLN A 80 7.859 8.086 -2.615 1.00 54.52 C ATOM 1111 O GLN A 80 6.864 8.541 -3.178 1.00 11.31 O ATOM 1112 CB GLN A 80 8.722 6.300 -4.139 1.00 42.45 C ATOM 1113 CG GLN A 80 9.979 7.069 -4.514 1.00 21.33 C ATOM 1114 CD GLN A 80 10.332 6.931 -5.983 1.00 1.13 C ATOM 1115 OE1 GLN A 80 11.440 6.523 -6.330 1.00 73.22 O ATOM 1116 NE2 GLN A 80 9.388 7.272 -6.852 1.00 12.44 N ATOM 0 H GLN A 80 6.175 6.119 -2.774 1.00 33.42 H new ATOM 0 HA GLN A 80 9.002 6.385 -2.011 1.00 12.34 H new ATOM 0 HB2 GLN A 80 8.922 5.232 -4.219 1.00 42.45 H new ATOM 0 HB3 GLN A 80 7.936 6.532 -4.858 1.00 42.45 H new ATOM 0 HG2 GLN A 80 9.840 8.123 -4.275 1.00 21.33 H new ATOM 0 HG3 GLN A 80 10.813 6.712 -3.909 1.00 21.33 H new ATOM 0 HE21 GLN A 80 8.484 7.605 -6.518 1.00 12.44 H new ATOM 0 HE22 GLN A 80 9.567 7.201 -7.854 1.00 12.44 H new ATOM 1123 N ALA A 81 8.680 8.831 -1.882 1.00 55.12 N ATOM 1124 CA ALA A 81 8.454 10.259 -1.696 1.00 13.54 C ATOM 1125 C ALA A 81 9.732 11.054 -1.950 1.00 23.24 C ATOM 1126 O ALA A 81 10.827 10.496 -1.968 1.00 55.00 O ATOM 1127 CB ALA A 81 7.933 10.530 -0.293 1.00 24.32 C ATOM 0 H ALA A 81 9.507 8.469 -1.407 1.00 55.12 H new ATOM 0 HA ALA A 81 7.706 10.582 -2.420 1.00 13.54 H new ATOM 0 HB1 ALA A 81 7.768 11.600 -0.166 1.00 24.32 H new ATOM 0 HB2 ALA A 81 6.993 9.998 -0.145 1.00 24.32 H new ATOM 0 HB3 ALA A 81 8.664 10.186 0.439 1.00 24.32 H new ATOM 1133 N MET A 82 9.580 12.359 -2.148 1.00 65.04 N ATOM 1134 CA MET A 82 10.721 13.232 -2.402 1.00 4.03 C ATOM 1135 C MET A 82 10.693 14.445 -1.479 1.00 21.32 C ATOM 1136 O MET A 82 9.702 15.174 -1.427 1.00 54.51 O ATOM 1137 CB MET A 82 10.727 13.685 -3.863 1.00 32.45 C ATOM 1138 CG MET A 82 11.746 14.775 -4.155 1.00 52.24 C ATOM 1139 SD MET A 82 12.328 14.742 -5.863 1.00 24.34 S ATOM 1140 CE MET A 82 13.786 13.717 -5.704 1.00 15.35 C ATOM 0 H MET A 82 8.678 12.836 -2.138 1.00 65.04 H new ATOM 0 HA MET A 82 11.632 12.668 -2.201 1.00 4.03 H new ATOM 0 HB2 MET A 82 10.933 12.826 -4.501 1.00 32.45 H new ATOM 0 HB3 MET A 82 9.733 14.047 -4.127 1.00 32.45 H new ATOM 0 HG2 MET A 82 11.302 15.748 -3.945 1.00 52.24 H new ATOM 0 HG3 MET A 82 12.597 14.661 -3.483 1.00 52.24 H new ATOM 0 HE1 MET A 82 14.678 14.331 -5.832 1.00 15.35 H new ATOM 0 HE2 MET A 82 13.801 13.256 -4.716 1.00 15.35 H new ATOM 0 HE3 MET A 82 13.769 12.939 -6.467 1.00 15.35 H new ATOM 1148 N ASN A 83 11.786 14.656 -0.753 1.00 61.45 N ATOM 1149 CA ASN A 83 11.885 15.783 0.168 1.00 22.31 C ATOM 1150 C ASN A 83 12.378 17.033 -0.553 1.00 20.50 C ATOM 1151 O ASN A 83 12.779 16.975 -1.715 1.00 64.25 O ATOM 1152 CB ASN A 83 12.828 15.441 1.324 1.00 73.21 C ATOM 1153 CG ASN A 83 12.145 14.630 2.407 1.00 23.20 C ATOM 1154 OD1 ASN A 83 11.773 15.160 3.454 1.00 11.31 O ATOM 1155 ND2 ASN A 83 11.977 13.336 2.160 1.00 24.25 N ATOM 0 H ASN A 83 12.615 14.062 -0.784 1.00 61.45 H new ATOM 0 HA ASN A 83 10.890 15.984 0.566 1.00 22.31 H new ATOM 0 HB2 ASN A 83 13.682 14.883 0.940 1.00 73.21 H new ATOM 0 HB3 ASN A 83 13.218 16.363 1.756 1.00 73.21 H new ATOM 0 HD21 ASN A 83 11.524 12.739 2.852 1.00 24.25 H new ATOM 0 HD22 ASN A 83 12.301 12.939 1.278 1.00 24.25 H new ATOM 1161 N ARG A 84 12.346 18.164 0.146 1.00 44.20 N ATOM 1162 CA ARG A 84 12.789 19.429 -0.428 1.00 63.21 C ATOM 1163 C ARG A 84 14.306 19.447 -0.599 1.00 34.13 C ATOM 1164 O ARG A 84 14.847 20.265 -1.342 1.00 31.32 O ATOM 1165 CB ARG A 84 12.352 20.596 0.458 1.00 75.51 C ATOM 1166 CG ARG A 84 13.273 20.840 1.643 1.00 65.11 C ATOM 1167 CD ARG A 84 13.228 19.684 2.630 1.00 32.01 C ATOM 1168 NE ARG A 84 11.872 19.424 3.108 1.00 45.12 N ATOM 1169 CZ ARG A 84 11.577 18.492 4.008 1.00 31.42 C ATOM 1170 NH1 ARG A 84 12.536 17.737 4.526 1.00 42.25 N ATOM 1171 NH2 ARG A 84 10.319 18.316 4.392 1.00 64.12 N ATOM 0 H ARG A 84 12.018 18.230 1.110 1.00 44.20 H new ATOM 0 HA ARG A 84 12.328 19.535 -1.410 1.00 63.21 H new ATOM 0 HB2 ARG A 84 12.304 21.502 -0.146 1.00 75.51 H new ATOM 0 HB3 ARG A 84 11.344 20.404 0.826 1.00 75.51 H new ATOM 0 HG2 ARG A 84 14.295 20.978 1.289 1.00 65.11 H new ATOM 0 HG3 ARG A 84 12.983 21.762 2.147 1.00 65.11 H new ATOM 0 HD2 ARG A 84 13.623 18.786 2.155 1.00 32.01 H new ATOM 0 HD3 ARG A 84 13.875 19.907 3.479 1.00 32.01 H new ATOM 0 HE ARG A 84 11.111 19.988 2.730 1.00 45.12 H new ATOM 0 HH11 ARG A 84 13.504 17.871 4.234 1.00 42.25 H new ATOM 0 HH12 ARG A 84 12.306 17.023 5.217 1.00 42.25 H new ATOM 0 HH21 ARG A 84 9.579 18.896 3.996 1.00 64.12 H new ATOM 0 HH22 ARG A 84 10.092 17.601 5.083 1.00 64.12 H new ATOM 1182 N ASN A 85 14.984 18.539 0.094 1.00 15.51 N ATOM 1183 CA ASN A 85 16.438 18.452 0.020 1.00 13.13 C ATOM 1184 C ASN A 85 16.881 17.875 -1.321 1.00 62.02 C ATOM 1185 O ASN A 85 17.994 18.129 -1.781 1.00 51.51 O ATOM 1186 CB ASN A 85 16.977 17.588 1.163 1.00 44.25 C ATOM 1187 CG ASN A 85 17.028 18.335 2.480 1.00 71.11 C ATOM 1188 OD1 ASN A 85 15.999 18.761 3.005 1.00 32.41 O ATOM 1189 ND2 ASN A 85 18.229 18.500 3.021 1.00 53.32 N ATOM 0 H ASN A 85 14.551 17.853 0.713 1.00 15.51 H new ATOM 0 HA ASN A 85 16.843 19.460 0.113 1.00 13.13 H new ATOM 0 HB2 ASN A 85 16.348 16.705 1.274 1.00 44.25 H new ATOM 0 HB3 ASN A 85 17.977 17.237 0.909 1.00 44.25 H new ATOM 0 HD21 ASN A 85 18.326 18.997 3.907 1.00 53.32 H new ATOM 0 HD22 ASN A 85 19.055 18.130 2.551 1.00 53.32 H new ATOM 1195 N GLY A 86 16.000 17.099 -1.945 1.00 61.11 N ATOM 1196 CA GLY A 86 16.317 16.498 -3.228 1.00 40.14 C ATOM 1197 C GLY A 86 16.363 14.985 -3.165 1.00 73.14 C ATOM 1198 O GLY A 86 16.248 14.310 -4.188 1.00 2.32 O ATOM 0 H GLY A 86 15.072 16.876 -1.585 1.00 61.11 H new ATOM 0 HA2 GLY A 86 15.573 16.805 -3.963 1.00 40.14 H new ATOM 0 HA3 GLY A 86 17.280 16.873 -3.573 1.00 40.14 H new ATOM 1202 N LYS A 87 16.532 14.449 -1.961 1.00 52.42 N ATOM 1203 CA LYS A 87 16.593 13.005 -1.766 1.00 72.53 C ATOM 1204 C LYS A 87 15.192 12.415 -1.631 1.00 52.34 C ATOM 1205 O LYS A 87 14.288 13.057 -1.097 1.00 72.51 O ATOM 1206 CB LYS A 87 17.421 12.671 -0.524 1.00 71.10 C ATOM 1207 CG LYS A 87 17.100 13.548 0.674 1.00 22.12 C ATOM 1208 CD LYS A 87 18.136 14.642 0.858 1.00 33.35 C ATOM 1209 CE LYS A 87 19.533 14.066 1.025 1.00 41.41 C ATOM 1210 NZ LYS A 87 20.234 14.641 2.206 1.00 12.54 N ATOM 0 H LYS A 87 16.629 14.994 -1.104 1.00 52.42 H new ATOM 0 HA LYS A 87 17.071 12.565 -2.641 1.00 72.53 H new ATOM 0 HB2 LYS A 87 17.254 11.628 -0.256 1.00 71.10 H new ATOM 0 HB3 LYS A 87 18.479 12.772 -0.765 1.00 71.10 H new ATOM 0 HG2 LYS A 87 16.115 13.997 0.544 1.00 22.12 H new ATOM 0 HG3 LYS A 87 17.054 12.934 1.574 1.00 22.12 H new ATOM 0 HD2 LYS A 87 18.118 15.310 -0.003 1.00 33.35 H new ATOM 0 HD3 LYS A 87 17.882 15.242 1.732 1.00 33.35 H new ATOM 0 HE2 LYS A 87 19.469 12.983 1.133 1.00 41.41 H new ATOM 0 HE3 LYS A 87 20.116 14.263 0.126 1.00 41.41 H new ATOM 0 HZ1 LYS A 87 21.183 14.222 2.284 1.00 12.54 H new ATOM 0 HZ2 LYS A 87 20.319 15.671 2.092 1.00 12.54 H new ATOM 0 HZ3 LYS A 87 19.691 14.432 3.068 1.00 12.54 H new ATOM 1220 N GLU A 88 15.022 11.189 -2.115 1.00 64.14 N ATOM 1221 CA GLU A 88 13.731 10.513 -2.048 1.00 33.14 C ATOM 1222 C GLU A 88 13.738 9.436 -0.968 1.00 31.13 C ATOM 1223 O GLU A 88 14.756 8.784 -0.730 1.00 3.22 O ATOM 1224 CB GLU A 88 13.383 9.892 -3.403 1.00 34.13 C ATOM 1225 CG GLU A 88 12.535 10.793 -4.284 1.00 43.04 C ATOM 1226 CD GLU A 88 12.899 10.683 -5.752 1.00 14.41 C ATOM 1227 OE1 GLU A 88 14.106 10.573 -6.058 1.00 74.32 O ATOM 1228 OE2 GLU A 88 11.979 10.705 -6.596 1.00 32.31 O ATOM 0 H GLU A 88 15.761 10.643 -2.558 1.00 64.14 H new ATOM 0 HA GLU A 88 12.974 11.254 -1.793 1.00 33.14 H new ATOM 0 HB2 GLU A 88 14.306 9.647 -3.929 1.00 34.13 H new ATOM 0 HB3 GLU A 88 12.852 8.955 -3.238 1.00 34.13 H new ATOM 0 HG2 GLU A 88 11.484 10.537 -4.154 1.00 43.04 H new ATOM 0 HG3 GLU A 88 12.653 11.827 -3.961 1.00 43.04 H new ATOM 1233 N THR A 89 12.595 9.254 -0.315 1.00 13.43 N ATOM 1234 CA THR A 89 12.468 8.257 0.740 1.00 11.22 C ATOM 1235 C THR A 89 11.755 7.007 0.235 1.00 62.52 C ATOM 1236 O THR A 89 10.705 7.096 -0.402 1.00 40.31 O ATOM 1237 CB THR A 89 11.701 8.817 1.953 1.00 4.32 C ATOM 1238 OG1 THR A 89 11.751 10.247 1.946 1.00 12.12 O ATOM 1239 CG2 THR A 89 12.287 8.290 3.255 1.00 51.41 C ATOM 0 H THR A 89 11.743 9.785 -0.498 1.00 13.43 H new ATOM 0 HA THR A 89 13.480 7.994 1.049 1.00 11.22 H new ATOM 0 HB THR A 89 10.664 8.490 1.882 1.00 4.32 H new ATOM 0 HG1 THR A 89 12.184 10.563 2.767 1.00 12.12 H new ATOM 0 HG21 THR A 89 11.729 8.699 4.097 1.00 51.41 H new ATOM 0 HG22 THR A 89 12.220 7.202 3.270 1.00 51.41 H new ATOM 0 HG23 THR A 89 13.332 8.591 3.332 1.00 51.41 H new ATOM 1247 N LYS A 90 12.330 5.846 0.524 1.00 1.25 N ATOM 1248 CA LYS A 90 11.748 4.577 0.101 1.00 32.11 C ATOM 1249 C LYS A 90 11.094 3.859 1.277 1.00 60.04 C ATOM 1250 O LYS A 90 11.599 3.898 2.399 1.00 44.50 O ATOM 1251 CB LYS A 90 12.822 3.683 -0.522 1.00 54.33 C ATOM 1252 CG LYS A 90 13.423 4.250 -1.797 1.00 20.41 C ATOM 1253 CD LYS A 90 14.421 3.290 -2.418 1.00 42.44 C ATOM 1254 CE LYS A 90 13.776 1.953 -2.751 1.00 44.15 C ATOM 1255 NZ LYS A 90 13.989 1.572 -4.176 1.00 72.21 N ATOM 0 H LYS A 90 13.199 5.756 1.050 1.00 1.25 H new ATOM 0 HA LYS A 90 10.981 4.788 -0.645 1.00 32.11 H new ATOM 0 HB2 LYS A 90 13.618 3.525 0.206 1.00 54.33 H new ATOM 0 HB3 LYS A 90 12.389 2.706 -0.738 1.00 54.33 H new ATOM 0 HG2 LYS A 90 12.628 4.462 -2.512 1.00 20.41 H new ATOM 0 HG3 LYS A 90 13.916 5.197 -1.578 1.00 20.41 H new ATOM 0 HD2 LYS A 90 14.836 3.731 -3.325 1.00 42.44 H new ATOM 0 HD3 LYS A 90 15.252 3.133 -1.731 1.00 42.44 H new ATOM 0 HE2 LYS A 90 14.189 1.180 -2.103 1.00 44.15 H new ATOM 0 HE3 LYS A 90 12.707 2.005 -2.545 1.00 44.15 H new ATOM 0 HZ1 LYS A 90 13.534 0.655 -4.362 1.00 72.21 H new ATOM 0 HZ2 LYS A 90 13.573 2.297 -4.795 1.00 72.21 H new ATOM 0 HZ3 LYS A 90 15.009 1.498 -4.367 1.00 72.21 H new ATOM 1265 N SER A 91 9.968 3.205 1.013 1.00 60.45 N ATOM 1266 CA SER A 91 9.243 2.480 2.049 1.00 72.24 C ATOM 1267 C SER A 91 8.580 1.231 1.477 1.00 13.32 C ATOM 1268 O SER A 91 7.845 1.300 0.493 1.00 51.03 O ATOM 1269 CB SER A 91 8.186 3.384 2.688 1.00 3.32 C ATOM 1270 OG SER A 91 8.657 4.716 2.805 1.00 43.02 O ATOM 0 H SER A 91 9.538 3.162 0.089 1.00 60.45 H new ATOM 0 HA SER A 91 9.959 2.173 2.811 1.00 72.24 H new ATOM 0 HB2 SER A 91 7.277 3.368 2.086 1.00 3.32 H new ATOM 0 HB3 SER A 91 7.923 3.000 3.674 1.00 3.32 H new ATOM 0 HG SER A 91 8.109 5.307 2.247 1.00 43.02 H new ATOM 1275 N ASN A 92 8.848 0.089 2.102 1.00 41.21 N ATOM 1276 CA ASN A 92 8.280 -1.179 1.655 1.00 25.45 C ATOM 1277 C ASN A 92 7.596 -1.904 2.810 1.00 41.02 C ATOM 1278 O ASN A 92 8.195 -2.116 3.864 1.00 61.01 O ATOM 1279 CB ASN A 92 9.369 -2.066 1.051 1.00 14.44 C ATOM 1280 CG ASN A 92 8.809 -3.339 0.447 1.00 13.24 C ATOM 1281 OD1 ASN A 92 8.758 -3.490 -0.773 1.00 40.33 O ATOM 1282 ND2 ASN A 92 8.386 -4.264 1.302 1.00 72.42 N ATOM 0 H ASN A 92 9.454 0.015 2.919 1.00 41.21 H new ATOM 0 HA ASN A 92 7.533 -0.966 0.891 1.00 25.45 H new ATOM 0 HB2 ASN A 92 9.904 -1.508 0.283 1.00 14.44 H new ATOM 0 HB3 ASN A 92 10.095 -2.322 1.823 1.00 14.44 H new ATOM 0 HD21 ASN A 92 8.000 -5.142 0.954 1.00 72.42 H new ATOM 0 HD22 ASN A 92 8.447 -4.096 2.306 1.00 72.42 H new ATOM 1288 N TYR A 93 6.341 -2.284 2.602 1.00 24.31 N ATOM 1289 CA TYR A 93 5.575 -2.986 3.626 1.00 44.03 C ATOM 1290 C TYR A 93 4.942 -4.254 3.059 1.00 30.31 C ATOM 1291 O TYR A 93 4.206 -4.207 2.073 1.00 32.31 O ATOM 1292 CB TYR A 93 4.490 -2.072 4.197 1.00 43.24 C ATOM 1293 CG TYR A 93 4.944 -1.267 5.394 1.00 40.44 C ATOM 1294 CD1 TYR A 93 6.009 -0.379 5.294 1.00 51.42 C ATOM 1295 CD2 TYR A 93 4.309 -1.394 6.623 1.00 41.24 C ATOM 1296 CE1 TYR A 93 6.428 0.357 6.386 1.00 65.00 C ATOM 1297 CE2 TYR A 93 4.722 -0.660 7.718 1.00 33.53 C ATOM 1298 CZ TYR A 93 5.781 0.213 7.594 1.00 34.23 C ATOM 1299 OH TYR A 93 6.195 0.947 8.684 1.00 60.24 O ATOM 0 H TYR A 93 5.832 -2.118 1.734 1.00 24.31 H new ATOM 0 HA TYR A 93 6.259 -3.270 4.426 1.00 44.03 H new ATOM 0 HB2 TYR A 93 4.154 -1.389 3.417 1.00 43.24 H new ATOM 0 HB3 TYR A 93 3.630 -2.678 4.482 1.00 43.24 H new ATOM 0 HD1 TYR A 93 6.517 -0.263 4.348 1.00 51.42 H new ATOM 0 HD2 TYR A 93 3.479 -2.078 6.724 1.00 41.24 H new ATOM 0 HE1 TYR A 93 7.258 1.041 6.293 1.00 65.00 H new ATOM 0 HE2 TYR A 93 4.217 -0.770 8.667 1.00 33.53 H new ATOM 0 HH TYR A 93 5.634 0.729 9.457 1.00 60.24 H new ATOM 1308 N ARG A 94 5.232 -5.385 3.692 1.00 42.03 N ATOM 1309 CA ARG A 94 4.692 -6.666 3.253 1.00 44.15 C ATOM 1310 C ARG A 94 3.281 -6.877 3.794 1.00 61.41 C ATOM 1311 O ARG A 94 3.010 -6.619 4.968 1.00 51.42 O ATOM 1312 CB ARG A 94 5.601 -7.810 3.708 1.00 72.24 C ATOM 1313 CG ARG A 94 7.083 -7.498 3.584 1.00 72.53 C ATOM 1314 CD ARG A 94 7.481 -7.254 2.136 1.00 5.01 C ATOM 1315 NE ARG A 94 7.277 -8.438 1.306 1.00 23.43 N ATOM 1316 CZ ARG A 94 8.012 -9.538 1.401 1.00 51.13 C ATOM 1317 NH1 ARG A 94 8.997 -9.608 2.286 1.00 70.34 N ATOM 1318 NH2 ARG A 94 7.765 -10.575 0.611 1.00 62.15 N ATOM 0 H ARG A 94 5.838 -5.441 4.511 1.00 42.03 H new ATOM 0 HA ARG A 94 4.647 -6.658 2.164 1.00 44.15 H new ATOM 0 HB2 ARG A 94 5.375 -8.051 4.747 1.00 72.24 H new ATOM 0 HB3 ARG A 94 5.375 -8.698 3.118 1.00 72.24 H new ATOM 0 HG2 ARG A 94 7.322 -6.618 4.182 1.00 72.53 H new ATOM 0 HG3 ARG A 94 7.665 -8.326 3.988 1.00 72.53 H new ATOM 0 HD2 ARG A 94 6.898 -6.425 1.735 1.00 5.01 H new ATOM 0 HD3 ARG A 94 8.529 -6.957 2.093 1.00 5.01 H new ATOM 0 HE ARG A 94 6.527 -8.418 0.615 1.00 23.43 H new ATOM 0 HH11 ARG A 94 9.191 -8.814 2.896 1.00 70.34 H new ATOM 0 HH12 ARG A 94 9.560 -10.456 2.356 1.00 70.34 H new ATOM 0 HH21 ARG A 94 7.008 -10.527 -0.071 1.00 62.15 H new ATOM 0 HH22 ARG A 94 8.332 -11.420 0.686 1.00 62.15 H new ATOM 1329 N VAL A 95 2.385 -7.347 2.933 1.00 41.41 N ATOM 1330 CA VAL A 95 1.003 -7.594 3.324 1.00 61.33 C ATOM 1331 C VAL A 95 0.599 -9.036 3.042 1.00 14.04 C ATOM 1332 O VAL A 95 0.848 -9.560 1.957 1.00 21.24 O ATOM 1333 CB VAL A 95 0.033 -6.648 2.587 1.00 14.12 C ATOM 1334 CG1 VAL A 95 -1.408 -7.073 2.822 1.00 74.01 C ATOM 1335 CG2 VAL A 95 0.253 -5.209 3.031 1.00 63.03 C ATOM 0 H VAL A 95 2.592 -7.565 1.958 1.00 41.41 H new ATOM 0 HA VAL A 95 0.941 -7.406 4.396 1.00 61.33 H new ATOM 0 HB VAL A 95 0.235 -6.709 1.518 1.00 14.12 H new ATOM 0 HG11 VAL A 95 -2.078 -6.394 2.295 1.00 74.01 H new ATOM 0 HG12 VAL A 95 -1.553 -8.088 2.451 1.00 74.01 H new ATOM 0 HG13 VAL A 95 -1.627 -7.042 3.889 1.00 74.01 H new ATOM 0 HG21 VAL A 95 -0.440 -4.555 2.501 1.00 63.03 H new ATOM 0 HG22 VAL A 95 0.079 -5.129 4.104 1.00 63.03 H new ATOM 0 HG23 VAL A 95 1.277 -4.911 2.806 1.00 63.03 H new ATOM 1345 N ARG A 96 -0.024 -9.673 4.028 1.00 34.22 N ATOM 1346 CA ARG A 96 -0.461 -11.057 3.888 1.00 4.15 C ATOM 1347 C ARG A 96 -1.914 -11.216 4.325 1.00 23.30 C ATOM 1348 O ARG A 96 -2.293 -10.796 5.418 1.00 40.11 O ATOM 1349 CB ARG A 96 0.435 -11.983 4.713 1.00 45.31 C ATOM 1350 CG ARG A 96 1.050 -13.114 3.904 1.00 31.23 C ATOM 1351 CD ARG A 96 -0.011 -14.076 3.392 1.00 73.01 C ATOM 1352 NE ARG A 96 0.435 -14.804 2.208 1.00 32.24 N ATOM 1353 CZ ARG A 96 1.388 -15.730 2.229 1.00 33.20 C ATOM 1354 NH1 ARG A 96 1.990 -16.040 3.369 1.00 23.42 N ATOM 1355 NH2 ARG A 96 1.738 -16.349 1.110 1.00 75.34 N ATOM 0 H ARG A 96 -0.238 -9.253 4.933 1.00 34.22 H new ATOM 0 HA ARG A 96 -0.384 -11.331 2.836 1.00 4.15 H new ATOM 0 HB2 ARG A 96 1.234 -11.394 5.165 1.00 45.31 H new ATOM 0 HB3 ARG A 96 -0.149 -12.407 5.530 1.00 45.31 H new ATOM 0 HG2 ARG A 96 1.604 -12.700 3.061 1.00 31.23 H new ATOM 0 HG3 ARG A 96 1.766 -13.656 4.521 1.00 31.23 H new ATOM 0 HD2 ARG A 96 -0.267 -14.786 4.179 1.00 73.01 H new ATOM 0 HD3 ARG A 96 -0.919 -13.521 3.156 1.00 73.01 H new ATOM 0 HE ARG A 96 -0.009 -14.590 1.315 1.00 32.24 H new ATOM 0 HH11 ARG A 96 1.722 -15.567 4.232 1.00 23.42 H new ATOM 0 HH12 ARG A 96 2.721 -16.751 3.383 1.00 23.42 H new ATOM 0 HH21 ARG A 96 1.276 -16.115 0.232 1.00 75.34 H new ATOM 0 HH22 ARG A 96 2.470 -17.059 1.128 1.00 75.34 H new ATOM 1366 N VAL A 97 -2.724 -11.823 3.463 1.00 73.53 N ATOM 1367 CA VAL A 97 -4.134 -12.038 3.759 1.00 71.20 C ATOM 1368 C VAL A 97 -4.363 -13.413 4.376 1.00 31.33 C ATOM 1369 O VAL A 97 -3.416 -14.159 4.623 1.00 24.32 O ATOM 1370 CB VAL A 97 -5.001 -11.904 2.494 1.00 43.33 C ATOM 1371 CG1 VAL A 97 -4.731 -10.578 1.799 1.00 5.21 C ATOM 1372 CG2 VAL A 97 -4.748 -13.071 1.551 1.00 60.33 C ATOM 0 H VAL A 97 -2.426 -12.175 2.553 1.00 73.53 H new ATOM 0 HA VAL A 97 -4.427 -11.269 4.474 1.00 71.20 H new ATOM 0 HB VAL A 97 -6.050 -11.924 2.789 1.00 43.33 H new ATOM 0 HG11 VAL A 97 -5.353 -10.501 0.907 1.00 5.21 H new ATOM 0 HG12 VAL A 97 -4.966 -9.757 2.477 1.00 5.21 H new ATOM 0 HG13 VAL A 97 -3.680 -10.524 1.514 1.00 5.21 H new ATOM 0 HG21 VAL A 97 -5.369 -12.961 0.662 1.00 60.33 H new ATOM 0 HG22 VAL A 97 -3.697 -13.083 1.261 1.00 60.33 H new ATOM 0 HG23 VAL A 97 -4.997 -14.006 2.054 1.00 60.33 H new ATOM 1382 N TYR A 98 -5.626 -13.741 4.624 1.00 64.31 N ATOM 1383 CA TYR A 98 -5.981 -15.026 5.215 1.00 53.14 C ATOM 1384 C TYR A 98 -5.659 -16.172 4.259 1.00 32.22 C ATOM 1385 O TYR A 98 -4.624 -16.826 4.385 1.00 33.12 O ATOM 1386 CB TYR A 98 -7.466 -15.052 5.577 1.00 25.41 C ATOM 1387 CG TYR A 98 -7.951 -16.405 6.047 1.00 32.50 C ATOM 1388 CD1 TYR A 98 -7.434 -16.990 7.196 1.00 23.44 C ATOM 1389 CD2 TYR A 98 -8.926 -17.099 5.340 1.00 15.20 C ATOM 1390 CE1 TYR A 98 -7.874 -18.226 7.629 1.00 41.00 C ATOM 1391 CE2 TYR A 98 -9.372 -18.335 5.767 1.00 25.12 C ATOM 1392 CZ TYR A 98 -8.844 -18.895 6.911 1.00 34.30 C ATOM 1393 OH TYR A 98 -9.285 -20.126 7.338 1.00 53.33 O ATOM 0 H TYR A 98 -6.422 -13.135 4.425 1.00 64.31 H new ATOM 0 HA TYR A 98 -5.391 -15.156 6.122 1.00 53.14 H new ATOM 0 HB2 TYR A 98 -7.654 -14.316 6.359 1.00 25.41 H new ATOM 0 HB3 TYR A 98 -8.049 -14.748 4.707 1.00 25.41 H new ATOM 0 HD1 TYR A 98 -6.675 -16.469 7.761 1.00 23.44 H new ATOM 0 HD2 TYR A 98 -9.342 -16.665 4.443 1.00 15.20 H new ATOM 0 HE1 TYR A 98 -7.461 -18.666 8.525 1.00 41.00 H new ATOM 0 HE2 TYR A 98 -10.131 -18.860 5.207 1.00 25.12 H new ATOM 0 HH TYR A 98 -9.969 -20.460 6.721 1.00 53.33 H new ATOM 1402 N GLN A 99 -6.554 -16.406 3.305 1.00 31.13 N ATOM 1403 CA GLN A 99 -6.365 -17.472 2.328 1.00 12.14 C ATOM 1404 C GLN A 99 -5.140 -17.205 1.460 1.00 53.43 C ATOM 1405 O GLN A 99 -4.824 -16.056 1.153 1.00 70.15 O ATOM 1406 CB GLN A 99 -7.608 -17.611 1.447 1.00 32.21 C ATOM 1407 CG GLN A 99 -7.518 -18.747 0.442 1.00 21.40 C ATOM 1408 CD GLN A 99 -7.287 -20.093 1.100 1.00 54.21 C ATOM 1409 OE1 GLN A 99 -8.029 -20.364 2.167 1.00 40.12 O flip ATOM 1410 NE2 GLN A 99 -6.452 -20.880 0.655 1.00 3.02 N flip ATOM 0 H GLN A 99 -7.416 -15.873 3.188 1.00 31.13 H new ATOM 0 HA GLN A 99 -6.206 -18.404 2.871 1.00 12.14 H new ATOM 0 HB2 GLN A 99 -8.478 -17.769 2.084 1.00 32.21 H new ATOM 0 HB3 GLN A 99 -7.770 -16.675 0.912 1.00 32.21 H new ATOM 0 HG2 GLN A 99 -8.438 -18.785 -0.141 1.00 21.40 H new ATOM 0 HG3 GLN A 99 -6.707 -18.545 -0.257 1.00 21.40 H new ATOM 0 HE21 GLN A 99 -5.904 -20.630 -0.168 1.00 3.02 H new ATOM 0 HE22 GLN A 99 -6.308 -21.782 1.109 1.00 3.02 H new ATOM 1417 N ILE A 100 -4.453 -18.274 1.070 1.00 70.15 N ATOM 1418 CA ILE A 100 -3.264 -18.155 0.238 1.00 74.55 C ATOM 1419 C ILE A 100 -3.424 -18.929 -1.067 1.00 0.01 C ATOM 1420 O ILE A 100 -4.251 -19.835 -1.181 1.00 72.35 O ATOM 1421 CB ILE A 100 -2.009 -18.664 0.972 1.00 64.24 C ATOM 1422 CG1 ILE A 100 -2.408 -19.555 2.150 1.00 72.25 C ATOM 1423 CG2 ILE A 100 -1.163 -17.492 1.449 1.00 4.13 C ATOM 1424 CD1 ILE A 100 -1.227 -20.156 2.880 1.00 43.24 C ATOM 0 H ILE A 100 -4.700 -19.232 1.318 1.00 70.15 H new ATOM 0 HA ILE A 100 -3.141 -17.095 0.016 1.00 74.55 H new ATOM 0 HB ILE A 100 -1.414 -19.257 0.277 1.00 64.24 H new ATOM 0 HG12 ILE A 100 -3.000 -18.970 2.854 1.00 72.25 H new ATOM 0 HG13 ILE A 100 -3.048 -20.359 1.787 1.00 72.25 H new ATOM 0 HG21 ILE A 100 -0.280 -17.867 1.966 1.00 4.13 H new ATOM 0 HG22 ILE A 100 -0.855 -16.893 0.592 1.00 4.13 H new ATOM 0 HG23 ILE A 100 -1.748 -16.875 2.131 1.00 4.13 H new ATOM 0 HD11 ILE A 100 -1.585 -20.775 3.703 1.00 43.24 H new ATOM 0 HD12 ILE A 100 -0.646 -20.769 2.190 1.00 43.24 H new ATOM 0 HD13 ILE A 100 -0.598 -19.358 3.274 1.00 43.24 H new ATOM 1435 N PRO A 101 -2.617 -18.567 -2.074 1.00 35.45 N ATOM 1436 CA PRO A 101 -2.649 -19.215 -3.388 1.00 13.52 C ATOM 1437 C PRO A 101 -2.114 -20.643 -3.342 1.00 11.03 C ATOM 1438 O PRO A 101 -1.875 -21.193 -2.268 1.00 64.01 O ATOM 1439 CB PRO A 101 -1.739 -18.330 -4.243 1.00 45.31 C ATOM 1440 CG PRO A 101 -0.814 -17.686 -3.270 1.00 61.32 C ATOM 1441 CD PRO A 101 -1.609 -17.495 -2.008 1.00 21.33 C ATOM 0 HA PRO A 101 -3.664 -19.304 -3.775 1.00 13.52 H new ATOM 0 HB2 PRO A 101 -1.192 -18.919 -4.979 1.00 45.31 H new ATOM 0 HB3 PRO A 101 -2.314 -17.586 -4.794 1.00 45.31 H new ATOM 0 HG2 PRO A 101 0.060 -18.312 -3.090 1.00 61.32 H new ATOM 0 HG3 PRO A 101 -0.450 -16.732 -3.650 1.00 61.32 H new ATOM 0 HD2 PRO A 101 -0.983 -17.587 -1.121 1.00 21.33 H new ATOM 0 HD3 PRO A 101 -2.073 -16.509 -1.970 1.00 21.33 H new