USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 905 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 62 GLN : amide:sc= -1.29 X(o=-2.5,f=-3) USER MOD Set 1.2: A 63 ASN : amide:sc= -1.25 K(o=-2.5,f=-1.6) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 10 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 11 THR OG1 : rot 161:sc= -4.29! USER MOD Single : A 14 HIS : no HD1:sc= -11.3! C(o=-11!,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.37 (180deg=0.00648) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.351 (180deg=-1.51!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -110:sc= -0.415 USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.059) USER MOD Single : A 56 GLN : amide:sc= -0.87 K(o=-0.87,f=-4.1!) USER MOD Single : A 58 THR OG1 : rot -57:sc= 1.18 USER MOD Single : A 64 GLN : amide:sc= -2 K(o=-2,f=-0.12) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 134:sc= -2.25! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -12:sc= -1.01! USER MOD Single : A 91 THR OG1 : rot -175:sc= -2.9! USER MOD Single : A 92 THR OG1 : rot 130:sc= -0.259 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.932 37.471 -17.005 1.00 0.00 N ATOM 2 CA GLY A 1 8.752 37.006 -16.221 1.00 0.00 C ATOM 3 C GLY A 1 9.188 35.918 -15.238 1.00 0.00 C ATOM 4 O GLY A 1 9.876 34.985 -15.597 1.00 0.00 O ATOM 0 H1 GLY A 1 9.635 38.211 -17.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.649 37.857 -16.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.336 36.671 -17.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.309 37.842 -15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.986 36.618 -16.892 1.00 0.00 H new ATOM 10 N SER A 2 8.793 36.029 -13.999 1.00 0.00 N ATOM 11 CA SER A 2 9.188 34.997 -12.998 1.00 0.00 C ATOM 12 C SER A 2 8.898 33.596 -13.544 1.00 0.00 C ATOM 13 O SER A 2 8.286 33.439 -14.581 1.00 0.00 O ATOM 14 CB SER A 2 8.326 35.283 -11.771 1.00 0.00 C ATOM 15 OG SER A 2 9.129 35.186 -10.601 1.00 0.00 O ATOM 0 H SER A 2 8.215 36.788 -13.637 1.00 0.00 H new ATOM 0 HA SER A 2 10.252 35.034 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.888 36.278 -11.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.500 34.574 -11.719 1.00 0.00 H new ATOM 0 HG SER A 2 8.579 35.371 -9.811 1.00 0.00 H new ATOM 21 N HIS A 3 9.332 32.578 -12.855 1.00 0.00 N ATOM 22 CA HIS A 3 9.082 31.189 -13.337 1.00 0.00 C ATOM 23 C HIS A 3 7.848 30.605 -12.645 1.00 0.00 C ATOM 24 O HIS A 3 7.589 29.420 -12.712 1.00 0.00 O ATOM 25 CB HIS A 3 10.331 30.403 -12.942 1.00 0.00 C ATOM 26 CG HIS A 3 11.481 30.801 -13.827 1.00 0.00 C ATOM 27 ND1 HIS A 3 12.694 31.234 -13.314 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.621 30.830 -15.194 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.502 31.503 -14.355 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.898 31.273 -15.525 1.00 0.00 N ATOM 0 H HIS A 3 9.849 32.647 -11.979 1.00 0.00 H new ATOM 0 HA HIS A 3 8.896 31.152 -14.410 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.579 30.596 -11.898 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.143 29.333 -13.033 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.856 30.551 -15.904 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.516 31.861 -14.257 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.289 31.396 -16.459 1.00 0.00 H new ATOM 38 N MET A 4 7.088 31.426 -11.972 1.00 0.00 N ATOM 39 CA MET A 4 5.878 30.912 -11.269 1.00 0.00 C ATOM 40 C MET A 4 4.632 31.694 -11.694 1.00 0.00 C ATOM 41 O MET A 4 4.639 32.411 -12.675 1.00 0.00 O ATOM 42 CB MET A 4 6.164 31.132 -9.785 1.00 0.00 C ATOM 43 CG MET A 4 6.222 32.632 -9.487 1.00 0.00 C ATOM 44 SD MET A 4 5.709 32.922 -7.776 1.00 0.00 S ATOM 45 CE MET A 4 7.108 33.965 -7.298 1.00 0.00 C ATOM 0 H MET A 4 7.252 32.428 -11.879 1.00 0.00 H new ATOM 0 HA MET A 4 5.684 29.865 -11.502 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.388 30.661 -9.182 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.109 30.661 -9.513 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.233 33.007 -9.644 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.571 33.176 -10.171 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.997 34.267 -6.257 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.036 33.406 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.135 34.851 -7.932 1.00 0.00 H new ATOM 55 N GLN A 5 3.564 31.567 -10.953 1.00 0.00 N ATOM 56 CA GLN A 5 2.316 32.307 -11.301 1.00 0.00 C ATOM 57 C GLN A 5 1.553 32.672 -10.022 1.00 0.00 C ATOM 58 O GLN A 5 2.094 32.631 -8.935 1.00 0.00 O ATOM 59 CB GLN A 5 1.498 31.342 -12.167 1.00 0.00 C ATOM 60 CG GLN A 5 1.417 29.970 -11.490 1.00 0.00 C ATOM 61 CD GLN A 5 1.695 28.873 -12.525 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.760 28.834 -13.108 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.780 27.975 -12.779 1.00 0.00 N ATOM 0 H GLN A 5 3.502 30.982 -10.120 1.00 0.00 H new ATOM 0 HA GLN A 5 2.520 33.239 -11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.495 31.740 -12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.957 31.245 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.141 29.910 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.430 29.828 -11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.115 28.006 -12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.961 27.243 -13.466 1.00 0.00 H new ATOM 72 N VAL A 6 0.303 33.031 -10.140 1.00 0.00 N ATOM 73 CA VAL A 6 -0.487 33.396 -8.925 1.00 0.00 C ATOM 74 C VAL A 6 -1.608 32.379 -8.698 1.00 0.00 C ATOM 75 O VAL A 6 -1.794 31.467 -9.475 1.00 0.00 O ATOM 76 CB VAL A 6 -1.070 34.777 -9.227 1.00 0.00 C ATOM 77 CG1 VAL A 6 0.040 35.827 -9.159 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.686 34.775 -10.627 1.00 0.00 C ATOM 0 H VAL A 6 -0.206 33.088 -11.022 1.00 0.00 H new ATOM 0 HA VAL A 6 0.125 33.402 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.839 35.015 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.376 36.811 -9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.478 35.829 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.810 35.590 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.102 35.759 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.918 34.536 -11.362 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.478 34.028 -10.675 1.00 0.00 H new ATOM 88 N VAL A 7 -2.350 32.529 -7.634 1.00 0.00 N ATOM 89 CA VAL A 7 -3.459 31.571 -7.345 1.00 0.00 C ATOM 90 C VAL A 7 -4.418 31.474 -8.537 1.00 0.00 C ATOM 91 O VAL A 7 -4.693 32.449 -9.207 1.00 0.00 O ATOM 92 CB VAL A 7 -4.178 32.157 -6.131 1.00 0.00 C ATOM 93 CG1 VAL A 7 -5.357 31.259 -5.755 1.00 0.00 C ATOM 94 CG2 VAL A 7 -3.204 32.237 -4.955 1.00 0.00 C ATOM 0 H VAL A 7 -2.236 33.276 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.088 30.563 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.544 33.155 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.871 31.676 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.050 31.199 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.992 30.261 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.715 32.655 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.840 31.238 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.362 32.875 -5.223 1.00 0.00 H new ATOM 104 N LEU A 8 -4.932 30.302 -8.797 1.00 0.00 N ATOM 105 CA LEU A 8 -5.880 30.135 -9.938 1.00 0.00 C ATOM 106 C LEU A 8 -7.322 30.206 -9.436 1.00 0.00 C ATOM 107 O LEU A 8 -7.569 30.122 -8.250 1.00 0.00 O ATOM 108 CB LEU A 8 -5.606 28.730 -10.492 1.00 0.00 C ATOM 109 CG LEU A 8 -4.234 28.634 -11.189 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.549 30.003 -11.283 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.348 27.673 -10.393 1.00 0.00 C ATOM 0 H LEU A 8 -4.737 29.452 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.747 30.913 -10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.649 28.006 -9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.390 28.461 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.385 28.269 -12.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.585 29.894 -11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.177 30.686 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.397 30.403 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.373 27.594 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.223 28.050 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.816 26.689 -10.360 1.00 0.00 H new ATOM 123 N PRO A 9 -8.231 30.334 -10.363 1.00 0.00 N ATOM 124 CA PRO A 9 -9.665 30.387 -10.006 1.00 0.00 C ATOM 125 C PRO A 9 -10.146 28.987 -9.609 1.00 0.00 C ATOM 126 O PRO A 9 -10.908 28.358 -10.315 1.00 0.00 O ATOM 127 CB PRO A 9 -10.340 30.854 -11.293 1.00 0.00 C ATOM 128 CG PRO A 9 -9.407 30.448 -12.389 1.00 0.00 C ATOM 129 CD PRO A 9 -8.015 30.447 -11.811 1.00 0.00 C ATOM 0 HA PRO A 9 -9.883 31.043 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.319 30.390 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.497 31.933 -11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.667 29.460 -12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.475 31.140 -13.228 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.425 29.614 -12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.477 31.361 -12.064 1.00 0.00 H new ATOM 137 N ASN A 10 -9.696 28.496 -8.483 1.00 0.00 N ATOM 138 CA ASN A 10 -10.112 27.136 -8.027 1.00 0.00 C ATOM 139 C ASN A 10 -9.687 26.069 -9.043 1.00 0.00 C ATOM 140 O ASN A 10 -10.511 25.408 -9.645 1.00 0.00 O ATOM 141 CB ASN A 10 -11.637 27.201 -7.916 1.00 0.00 C ATOM 142 CG ASN A 10 -12.028 27.626 -6.500 1.00 0.00 C ATOM 143 OD1 ASN A 10 -11.907 26.856 -5.568 1.00 0.00 O ATOM 144 ND2 ASN A 10 -12.493 28.828 -6.296 1.00 0.00 N ATOM 0 H ASN A 10 -9.054 28.982 -7.856 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.646 26.864 -7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.035 27.909 -8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.071 26.228 -8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.755 29.121 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.595 29.475 -7.078 1.00 0.00 H new ATOM 151 N THR A 11 -8.405 25.891 -9.233 1.00 0.00 N ATOM 152 CA THR A 11 -7.923 24.861 -10.204 1.00 0.00 C ATOM 153 C THR A 11 -6.690 24.145 -9.646 1.00 0.00 C ATOM 154 O THR A 11 -6.148 24.528 -8.628 1.00 0.00 O ATOM 155 CB THR A 11 -7.551 25.633 -11.467 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.389 26.407 -11.220 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.709 26.548 -11.871 1.00 0.00 C ATOM 0 H THR A 11 -7.670 26.414 -8.758 1.00 0.00 H new ATOM 0 HA THR A 11 -8.681 24.102 -10.398 1.00 0.00 H new ATOM 0 HB THR A 11 -7.352 24.932 -12.278 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.974 26.655 -12.072 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.441 27.098 -12.773 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.598 25.947 -12.063 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.915 27.252 -11.065 1.00 0.00 H new ATOM 165 N ALA A 12 -6.241 23.109 -10.303 1.00 0.00 N ATOM 166 CA ALA A 12 -5.042 22.380 -9.802 1.00 0.00 C ATOM 167 C ALA A 12 -4.200 21.883 -10.981 1.00 0.00 C ATOM 168 O ALA A 12 -4.627 21.927 -12.112 1.00 0.00 O ATOM 169 CB ALA A 12 -5.604 21.200 -9.008 1.00 0.00 C ATOM 0 H ALA A 12 -6.651 22.738 -11.160 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.395 23.011 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.782 20.609 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.221 21.573 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.210 20.576 -9.664 1.00 0.00 H new ATOM 175 N LEU A 13 -3.010 21.411 -10.728 1.00 0.00 N ATOM 176 CA LEU A 13 -2.163 20.907 -11.849 1.00 0.00 C ATOM 177 C LEU A 13 -1.533 19.558 -11.471 1.00 0.00 C ATOM 178 O LEU A 13 -1.237 19.304 -10.321 1.00 0.00 O ATOM 179 CB LEU A 13 -1.098 21.990 -12.065 1.00 0.00 C ATOM 180 CG LEU A 13 0.058 21.802 -11.082 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.255 21.200 -11.816 1.00 0.00 C ATOM 182 CD2 LEU A 13 0.452 23.158 -10.496 1.00 0.00 C ATOM 0 H LEU A 13 -2.589 21.352 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.734 20.731 -12.760 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.725 21.944 -13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.541 22.977 -11.931 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.252 21.133 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.080 21.065 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.975 20.235 -12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.565 21.870 -12.618 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.276 23.026 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.763 23.825 -11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.402 23.591 -9.975 1.00 0.00 H new ATOM 194 N HIS A 14 -1.329 18.690 -12.427 1.00 0.00 N ATOM 195 CA HIS A 14 -0.720 17.361 -12.114 1.00 0.00 C ATOM 196 C HIS A 14 0.804 17.433 -12.227 1.00 0.00 C ATOM 197 O HIS A 14 1.340 17.839 -13.238 1.00 0.00 O ATOM 198 CB HIS A 14 -1.275 16.405 -13.170 1.00 0.00 C ATOM 199 CG HIS A 14 -2.725 16.125 -12.893 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.223 14.838 -12.783 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.795 16.960 -12.705 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.543 14.934 -12.540 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.943 16.207 -12.482 1.00 0.00 N ATOM 0 H HIS A 14 -1.557 18.842 -13.409 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.955 17.038 -11.100 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.163 16.841 -14.163 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.708 15.474 -13.165 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.753 18.039 -12.727 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.198 14.086 -12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.887 16.553 -12.311 1.00 0.00 H new ATOM 211 N LEU A 15 1.508 17.032 -11.206 1.00 0.00 N ATOM 212 CA LEU A 15 2.996 17.073 -11.282 1.00 0.00 C ATOM 213 C LEU A 15 3.594 15.789 -10.703 1.00 0.00 C ATOM 214 O LEU A 15 2.985 15.113 -9.898 1.00 0.00 O ATOM 215 CB LEU A 15 3.434 18.297 -10.468 1.00 0.00 C ATOM 216 CG LEU A 15 2.550 18.485 -9.232 1.00 0.00 C ATOM 217 CD1 LEU A 15 3.284 19.388 -8.242 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.232 19.152 -9.632 1.00 0.00 C ATOM 0 H LEU A 15 1.123 16.681 -10.329 1.00 0.00 H new ATOM 0 HA LEU A 15 3.342 17.147 -12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.473 18.180 -10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.385 19.189 -11.093 1.00 0.00 H new ATOM 0 HG LEU A 15 2.339 17.515 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.667 19.532 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.228 18.923 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.481 20.354 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.608 19.283 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.437 20.125 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.711 18.524 -10.355 1.00 0.00 H new ATOM 230 N LYS A 16 4.785 15.448 -11.117 1.00 0.00 N ATOM 231 CA LYS A 16 5.429 14.205 -10.601 1.00 0.00 C ATOM 232 C LYS A 16 6.519 14.560 -9.590 1.00 0.00 C ATOM 233 O LYS A 16 7.441 15.292 -9.890 1.00 0.00 O ATOM 234 CB LYS A 16 6.042 13.535 -11.832 1.00 0.00 C ATOM 235 CG LYS A 16 5.426 12.147 -12.017 1.00 0.00 C ATOM 236 CD LYS A 16 5.954 11.519 -13.310 1.00 0.00 C ATOM 237 CE LYS A 16 7.475 11.373 -13.224 1.00 0.00 C ATOM 238 NZ LYS A 16 8.012 12.382 -14.176 1.00 0.00 N ATOM 0 H LYS A 16 5.340 15.976 -11.790 1.00 0.00 H new ATOM 0 HA LYS A 16 4.719 13.552 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.864 14.145 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.122 13.452 -11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.672 11.512 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.339 12.222 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.493 10.544 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.686 12.140 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.833 11.557 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.791 10.366 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.955 12.688 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.082 11.961 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.375 13.203 -14.208 1.00 0.00 H new ATOM 252 N ALA A 17 6.422 14.051 -8.394 1.00 0.00 N ATOM 253 CA ALA A 17 7.456 14.370 -7.371 1.00 0.00 C ATOM 254 C ALA A 17 8.666 13.454 -7.550 1.00 0.00 C ATOM 255 O ALA A 17 8.572 12.246 -7.437 1.00 0.00 O ATOM 256 CB ALA A 17 6.782 14.128 -6.022 1.00 0.00 C ATOM 0 H ALA A 17 5.675 13.431 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 17 7.818 15.395 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.487 14.344 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.913 14.780 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.464 13.088 -5.956 1.00 0.00 H new ATOM 262 N LEU A 18 9.798 14.029 -7.840 1.00 0.00 N ATOM 263 CA LEU A 18 11.027 13.212 -8.042 1.00 0.00 C ATOM 264 C LEU A 18 11.978 13.364 -6.851 1.00 0.00 C ATOM 265 O LEU A 18 12.699 14.335 -6.741 1.00 0.00 O ATOM 266 CB LEU A 18 11.667 13.792 -9.301 1.00 0.00 C ATOM 267 CG LEU A 18 11.449 12.835 -10.476 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.325 11.593 -10.294 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.979 12.413 -10.528 1.00 0.00 C ATOM 0 H LEU A 18 9.926 15.035 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 18 10.805 12.149 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.232 14.766 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.734 13.949 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 18 11.717 13.339 -11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.169 10.912 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.373 11.889 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.057 11.092 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.825 11.732 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.711 11.911 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.352 13.295 -10.658 1.00 0.00 H new ATOM 281 N LEU A 19 11.995 12.405 -5.967 1.00 0.00 N ATOM 282 CA LEU A 19 12.908 12.487 -4.792 1.00 0.00 C ATOM 283 C LEU A 19 12.985 11.127 -4.089 1.00 0.00 C ATOM 284 O LEU A 19 12.182 10.248 -4.326 1.00 0.00 O ATOM 285 CB LEU A 19 12.322 13.576 -3.877 1.00 0.00 C ATOM 286 CG LEU A 19 11.042 13.100 -3.167 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.099 12.420 -4.161 1.00 0.00 C ATOM 288 CD2 LEU A 19 11.401 12.119 -2.046 1.00 0.00 C ATOM 0 H LEU A 19 11.415 11.567 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 19 13.929 12.741 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.065 13.863 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.101 14.466 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 19 10.539 13.968 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.199 12.090 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.827 13.126 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.598 11.559 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.490 11.786 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.919 11.258 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.050 12.614 -1.323 1.00 0.00 H new ATOM 300 N ASP A 20 13.954 10.946 -3.234 1.00 0.00 N ATOM 301 CA ASP A 20 14.086 9.639 -2.527 1.00 0.00 C ATOM 302 C ASP A 20 13.425 9.703 -1.149 1.00 0.00 C ATOM 303 O ASP A 20 13.899 10.372 -0.253 1.00 0.00 O ATOM 304 CB ASP A 20 15.591 9.415 -2.389 1.00 0.00 C ATOM 305 CG ASP A 20 16.213 9.259 -3.777 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.463 9.115 -4.728 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.430 9.285 -3.867 1.00 0.00 O ATOM 0 H ASP A 20 14.658 11.644 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 20 13.598 8.829 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.048 10.255 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.783 8.525 -1.790 1.00 0.00 H new ATOM 312 N PHE A 21 12.335 9.009 -0.973 1.00 0.00 N ATOM 313 CA PHE A 21 11.647 9.024 0.347 1.00 0.00 C ATOM 314 C PHE A 21 11.556 7.602 0.909 1.00 0.00 C ATOM 315 O PHE A 21 11.032 6.709 0.274 1.00 0.00 O ATOM 316 CB PHE A 21 10.252 9.576 0.058 1.00 0.00 C ATOM 317 CG PHE A 21 9.744 10.314 1.271 1.00 0.00 C ATOM 318 CD1 PHE A 21 9.624 9.645 2.494 1.00 0.00 C ATOM 319 CD2 PHE A 21 9.395 11.666 1.176 1.00 0.00 C ATOM 320 CE1 PHE A 21 9.153 10.326 3.622 1.00 0.00 C ATOM 321 CE2 PHE A 21 8.925 12.349 2.303 1.00 0.00 C ATOM 322 CZ PHE A 21 8.804 11.678 3.527 1.00 0.00 C ATOM 0 H PHE A 21 11.891 8.432 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 21 12.178 9.625 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.285 10.246 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.573 8.763 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.895 8.602 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.489 12.182 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.059 9.809 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.656 13.392 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.441 12.204 4.398 1.00 0.00 H new ATOM 332 N GLU A 22 12.061 7.384 2.091 1.00 0.00 N ATOM 333 CA GLU A 22 11.999 6.018 2.684 1.00 0.00 C ATOM 334 C GLU A 22 11.463 6.087 4.115 1.00 0.00 C ATOM 335 O GLU A 22 12.085 6.647 4.996 1.00 0.00 O ATOM 336 CB GLU A 22 13.443 5.514 2.674 1.00 0.00 C ATOM 337 CG GLU A 22 13.471 4.024 3.020 1.00 0.00 C ATOM 338 CD GLU A 22 14.817 3.428 2.606 1.00 0.00 C ATOM 339 OE1 GLU A 22 15.819 3.819 3.182 1.00 0.00 O ATOM 340 OE2 GLU A 22 14.824 2.592 1.718 1.00 0.00 O ATOM 0 H GLU A 22 12.513 8.090 2.671 1.00 0.00 H new ATOM 0 HA GLU A 22 11.334 5.357 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.889 5.678 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.039 6.076 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.314 3.885 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.660 3.506 2.509 1.00 0.00 H new ATOM 347 N ASP A 23 10.315 5.519 4.352 1.00 0.00 N ATOM 348 CA ASP A 23 9.737 5.546 5.727 1.00 0.00 C ATOM 349 C ASP A 23 9.940 4.190 6.408 1.00 0.00 C ATOM 350 O ASP A 23 9.739 3.150 5.814 1.00 0.00 O ATOM 351 CB ASP A 23 8.249 5.832 5.524 1.00 0.00 C ATOM 352 CG ASP A 23 7.742 6.722 6.661 1.00 0.00 C ATOM 353 OD1 ASP A 23 7.922 6.346 7.807 1.00 0.00 O ATOM 354 OD2 ASP A 23 7.182 7.765 6.366 1.00 0.00 O ATOM 0 H ASP A 23 9.750 5.036 3.653 1.00 0.00 H new ATOM 0 HA ASP A 23 10.210 6.294 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.090 6.323 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.688 4.898 5.501 1.00 0.00 H new ATOM 359 N LYS A 24 10.344 4.193 7.648 1.00 0.00 N ATOM 360 CA LYS A 24 10.565 2.903 8.365 1.00 0.00 C ATOM 361 C LYS A 24 9.257 2.113 8.457 1.00 0.00 C ATOM 362 O LYS A 24 9.260 0.905 8.592 1.00 0.00 O ATOM 363 CB LYS A 24 11.048 3.304 9.759 1.00 0.00 C ATOM 364 CG LYS A 24 11.335 2.046 10.582 1.00 0.00 C ATOM 365 CD LYS A 24 12.473 1.256 9.932 1.00 0.00 C ATOM 366 CE LYS A 24 11.957 -0.116 9.492 1.00 0.00 C ATOM 367 NZ LYS A 24 12.191 -0.159 8.021 1.00 0.00 N ATOM 0 H LYS A 24 10.531 5.032 8.197 1.00 0.00 H new ATOM 0 HA LYS A 24 11.283 2.264 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.948 3.914 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.292 3.912 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.605 2.320 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.439 1.428 10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.864 1.802 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.296 1.138 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.489 -0.920 10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.899 -0.235 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.392 -1.137 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.343 0.183 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.001 0.447 7.780 1.00 0.00 H new ATOM 381 N ASP A 25 8.139 2.785 8.383 1.00 0.00 N ATOM 382 CA ASP A 25 6.833 2.072 8.464 1.00 0.00 C ATOM 383 C ASP A 25 6.650 1.166 7.244 1.00 0.00 C ATOM 384 O ASP A 25 5.741 0.362 7.187 1.00 0.00 O ATOM 385 CB ASP A 25 5.780 3.179 8.466 1.00 0.00 C ATOM 386 CG ASP A 25 5.878 3.979 9.766 1.00 0.00 C ATOM 387 OD1 ASP A 25 6.803 4.767 9.885 1.00 0.00 O ATOM 388 OD2 ASP A 25 5.028 3.791 10.620 1.00 0.00 O ATOM 0 H ASP A 25 8.075 3.797 8.270 1.00 0.00 H new ATOM 0 HA ASP A 25 6.763 1.437 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.929 3.837 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.784 2.747 8.367 1.00 0.00 H new ATOM 393 N GLY A 26 7.506 1.293 6.268 1.00 0.00 N ATOM 394 CA GLY A 26 7.380 0.440 5.052 1.00 0.00 C ATOM 395 C GLY A 26 7.279 1.332 3.812 1.00 0.00 C ATOM 396 O GLY A 26 7.928 1.095 2.812 1.00 0.00 O ATOM 0 H GLY A 26 8.287 1.950 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.242 -0.222 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.497 -0.195 5.130 1.00 0.00 H new ATOM 400 N ASP A 27 6.471 2.354 3.868 1.00 0.00 N ATOM 401 CA ASP A 27 6.331 3.258 2.691 1.00 0.00 C ATOM 402 C ASP A 27 7.710 3.706 2.199 1.00 0.00 C ATOM 403 O ASP A 27 8.686 3.645 2.920 1.00 0.00 O ATOM 404 CB ASP A 27 5.530 4.455 3.204 1.00 0.00 C ATOM 405 CG ASP A 27 5.384 5.486 2.085 1.00 0.00 C ATOM 406 OD1 ASP A 27 4.684 5.198 1.128 1.00 0.00 O ATOM 407 OD2 ASP A 27 5.973 6.547 2.202 1.00 0.00 O ATOM 0 H ASP A 27 5.902 2.603 4.677 1.00 0.00 H new ATOM 0 HA ASP A 27 5.839 2.768 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.547 4.130 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.032 4.902 4.062 1.00 0.00 H new ATOM 412 N LYS A 28 7.799 4.154 0.975 1.00 0.00 N ATOM 413 CA LYS A 28 9.116 4.602 0.438 1.00 0.00 C ATOM 414 C LYS A 28 8.995 4.905 -1.061 1.00 0.00 C ATOM 415 O LYS A 28 8.649 4.049 -1.850 1.00 0.00 O ATOM 416 CB LYS A 28 10.062 3.422 0.686 1.00 0.00 C ATOM 417 CG LYS A 28 11.253 3.491 -0.276 1.00 0.00 C ATOM 418 CD LYS A 28 12.271 2.410 0.091 1.00 0.00 C ATOM 419 CE LYS A 28 12.498 1.494 -1.113 1.00 0.00 C ATOM 420 NZ LYS A 28 12.221 0.120 -0.610 1.00 0.00 N ATOM 0 H LYS A 28 7.017 4.229 0.324 1.00 0.00 H new ATOM 0 HA LYS A 28 9.476 5.514 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.416 3.440 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.527 2.482 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.913 3.352 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.718 4.475 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.212 2.869 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.911 1.830 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.834 1.754 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.518 1.579 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.356 -0.565 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.873 -0.102 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.241 0.067 -0.267 1.00 0.00 H new ATOM 434 N VAL A 29 9.279 6.116 -1.457 1.00 0.00 N ATOM 435 CA VAL A 29 9.180 6.466 -2.904 1.00 0.00 C ATOM 436 C VAL A 29 10.579 6.694 -3.486 1.00 0.00 C ATOM 437 O VAL A 29 11.481 7.137 -2.803 1.00 0.00 O ATOM 438 CB VAL A 29 8.346 7.755 -2.960 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.199 7.674 -1.947 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.229 8.964 -2.631 1.00 0.00 C ATOM 0 H VAL A 29 9.574 6.876 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 29 8.719 5.670 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 29 7.938 7.869 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.610 8.590 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.562 6.822 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.607 7.552 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.630 9.874 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.645 8.849 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.040 9.030 -3.356 1.00 0.00 H new ATOM 450 N VAL A 30 10.769 6.396 -4.742 1.00 0.00 N ATOM 451 CA VAL A 30 12.110 6.598 -5.361 1.00 0.00 C ATOM 452 C VAL A 30 11.979 7.381 -6.667 1.00 0.00 C ATOM 453 O VAL A 30 11.918 6.814 -7.741 1.00 0.00 O ATOM 454 CB VAL A 30 12.642 5.191 -5.627 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.929 4.496 -4.296 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.596 4.389 -6.406 1.00 0.00 C ATOM 0 H VAL A 30 10.054 6.022 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 30 12.779 7.169 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 30 13.561 5.253 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.309 3.492 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.673 5.067 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.010 4.433 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.975 3.385 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.677 4.326 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.390 4.885 -7.355 1.00 0.00 H new ATOM 466 N ALA A 31 11.932 8.681 -6.583 1.00 0.00 N ATOM 467 CA ALA A 31 11.802 9.507 -7.818 1.00 0.00 C ATOM 468 C ALA A 31 10.729 8.918 -8.734 1.00 0.00 C ATOM 469 O ALA A 31 11.021 8.395 -9.791 1.00 0.00 O ATOM 470 CB ALA A 31 13.175 9.437 -8.488 1.00 0.00 C ATOM 0 H ALA A 31 11.978 9.209 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 31 11.507 10.533 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.161 10.022 -9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.930 9.839 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.413 8.399 -8.722 1.00 0.00 H new ATOM 476 N GLY A 32 9.487 8.995 -8.339 1.00 0.00 N ATOM 477 CA GLY A 32 8.407 8.435 -9.196 1.00 0.00 C ATOM 478 C GLY A 32 7.033 8.749 -8.597 1.00 0.00 C ATOM 479 O GLY A 32 6.077 8.032 -8.817 1.00 0.00 O ATOM 0 H GLY A 32 9.176 9.419 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.477 8.853 -10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.532 7.356 -9.291 1.00 0.00 H new ATOM 483 N ASP A 33 6.915 9.813 -7.847 1.00 0.00 N ATOM 484 CA ASP A 33 5.586 10.151 -7.257 1.00 0.00 C ATOM 485 C ASP A 33 4.799 11.043 -8.219 1.00 0.00 C ATOM 486 O ASP A 33 5.360 11.868 -8.913 1.00 0.00 O ATOM 487 CB ASP A 33 5.894 10.905 -5.963 1.00 0.00 C ATOM 488 CG ASP A 33 7.034 10.211 -5.216 1.00 0.00 C ATOM 489 OD1 ASP A 33 7.346 9.085 -5.566 1.00 0.00 O ATOM 490 OD2 ASP A 33 7.577 10.817 -4.307 1.00 0.00 O ATOM 0 H ASP A 33 7.673 10.457 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 33 4.982 9.263 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.169 11.935 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.005 10.943 -5.333 1.00 0.00 H new ATOM 495 N GLU A 34 3.504 10.886 -8.271 1.00 0.00 N ATOM 496 CA GLU A 34 2.691 11.730 -9.192 1.00 0.00 C ATOM 497 C GLU A 34 1.359 12.094 -8.533 1.00 0.00 C ATOM 498 O GLU A 34 0.666 11.246 -8.008 1.00 0.00 O ATOM 499 CB GLU A 34 2.458 10.855 -10.423 1.00 0.00 C ATOM 500 CG GLU A 34 1.605 11.617 -11.436 1.00 0.00 C ATOM 501 CD GLU A 34 2.088 11.305 -12.854 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.811 10.214 -13.326 1.00 0.00 O ATOM 503 OE2 GLU A 34 2.727 12.160 -13.442 1.00 0.00 O ATOM 0 H GLU A 34 2.975 10.212 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 34 3.188 12.667 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.412 10.577 -10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.960 9.929 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.557 11.336 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.669 12.689 -11.247 1.00 0.00 H new ATOM 510 N TRP A 35 0.990 13.347 -8.552 1.00 0.00 N ATOM 511 CA TRP A 35 -0.301 13.741 -7.922 1.00 0.00 C ATOM 512 C TRP A 35 -0.762 15.107 -8.437 1.00 0.00 C ATOM 513 O TRP A 35 -0.062 15.778 -9.169 1.00 0.00 O ATOM 514 CB TRP A 35 -0.020 13.781 -6.414 1.00 0.00 C ATOM 515 CG TRP A 35 0.568 15.102 -6.018 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.074 16.051 -5.297 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.896 15.630 -6.297 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.775 17.127 -5.116 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.003 16.916 -5.714 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.007 15.127 -6.993 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.173 17.671 -5.816 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.183 15.881 -7.097 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.268 17.149 -6.511 1.00 0.00 C ATOM 0 H TRP A 35 1.522 14.108 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.102 13.041 -8.161 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.944 13.609 -5.862 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.666 12.977 -6.146 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.085 15.979 -4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.526 17.973 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.954 14.151 -7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.232 18.649 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.031 15.481 -7.634 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.178 17.724 -6.596 1.00 0.00 H new ATOM 534 N LEU A 36 -1.938 15.518 -8.054 1.00 0.00 N ATOM 535 CA LEU A 36 -2.454 16.835 -8.513 1.00 0.00 C ATOM 536 C LEU A 36 -2.129 17.914 -7.480 1.00 0.00 C ATOM 537 O LEU A 36 -1.831 17.624 -6.338 1.00 0.00 O ATOM 538 CB LEU A 36 -3.965 16.643 -8.632 1.00 0.00 C ATOM 539 CG LEU A 36 -4.628 17.977 -8.965 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.172 18.435 -10.350 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.150 17.806 -8.959 1.00 0.00 C ATOM 0 H LEU A 36 -2.565 14.997 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.008 17.153 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.188 15.911 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.366 16.250 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.344 18.722 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.643 19.388 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.089 18.555 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.458 17.690 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.624 18.758 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.436 17.063 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.475 17.475 -7.973 1.00 0.00 H new ATOM 553 N PHE A 37 -2.184 19.154 -7.870 1.00 0.00 N ATOM 554 CA PHE A 37 -1.878 20.249 -6.909 1.00 0.00 C ATOM 555 C PHE A 37 -2.965 21.326 -6.979 1.00 0.00 C ATOM 556 O PHE A 37 -3.079 22.039 -7.955 1.00 0.00 O ATOM 557 CB PHE A 37 -0.530 20.805 -7.375 1.00 0.00 C ATOM 558 CG PHE A 37 0.106 21.626 -6.275 1.00 0.00 C ATOM 559 CD1 PHE A 37 -0.642 22.006 -5.152 1.00 0.00 C ATOM 560 CD2 PHE A 37 1.447 22.013 -6.386 1.00 0.00 C ATOM 561 CE1 PHE A 37 -0.048 22.772 -4.142 1.00 0.00 C ATOM 562 CE2 PHE A 37 2.039 22.780 -5.375 1.00 0.00 C ATOM 563 CZ PHE A 37 1.292 23.160 -4.254 1.00 0.00 C ATOM 0 H PHE A 37 -2.428 19.458 -8.813 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.842 19.906 -5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.132 19.986 -7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.670 21.421 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.676 21.708 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.024 21.720 -7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.624 23.064 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.073 23.079 -5.460 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.750 23.753 -3.476 1.00 0.00 H new ATOM 573 N GLU A 38 -3.764 21.444 -5.953 1.00 0.00 N ATOM 574 CA GLU A 38 -4.849 22.470 -5.960 1.00 0.00 C ATOM 575 C GLU A 38 -4.294 23.836 -5.550 1.00 0.00 C ATOM 576 O GLU A 38 -3.434 23.936 -4.696 1.00 0.00 O ATOM 577 CB GLU A 38 -5.864 21.974 -4.931 1.00 0.00 C ATOM 578 CG GLU A 38 -7.263 22.449 -5.325 1.00 0.00 C ATOM 579 CD GLU A 38 -7.322 23.976 -5.266 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.501 24.501 -4.179 1.00 0.00 O ATOM 581 OE2 GLU A 38 -7.187 24.595 -6.309 1.00 0.00 O ATOM 0 H GLU A 38 -3.713 20.874 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.293 22.594 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.840 20.886 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.607 22.349 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.505 22.104 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.006 22.020 -4.653 1.00 0.00 H new ATOM 588 N GLY A 39 -4.774 24.889 -6.154 1.00 0.00 N ATOM 589 CA GLY A 39 -4.269 26.243 -5.801 1.00 0.00 C ATOM 590 C GLY A 39 -2.745 26.294 -5.967 1.00 0.00 C ATOM 591 O GLY A 39 -2.053 26.822 -5.120 1.00 0.00 O ATOM 0 H GLY A 39 -5.494 24.868 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.738 26.993 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.539 26.484 -4.773 1.00 0.00 H new ATOM 595 N PRO A 40 -2.267 25.747 -7.059 1.00 0.00 N ATOM 596 CA PRO A 40 -0.807 25.743 -7.328 1.00 0.00 C ATOM 597 C PRO A 40 -0.335 27.113 -7.834 1.00 0.00 C ATOM 598 O PRO A 40 0.746 27.237 -8.372 1.00 0.00 O ATOM 599 CB PRO A 40 -0.650 24.705 -8.429 1.00 0.00 C ATOM 600 CG PRO A 40 -1.973 24.668 -9.126 1.00 0.00 C ATOM 601 CD PRO A 40 -3.023 25.078 -8.127 1.00 0.00 C ATOM 0 HA PRO A 40 -0.221 25.525 -6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.150 24.979 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.395 23.729 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.974 25.343 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.177 23.668 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.757 25.748 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.569 24.215 -7.747 1.00 0.00 H new ATOM 609 N GLY A 41 -1.128 28.135 -7.681 1.00 0.00 N ATOM 610 CA GLY A 41 -0.705 29.477 -8.164 1.00 0.00 C ATOM 611 C GLY A 41 0.664 29.823 -7.580 1.00 0.00 C ATOM 612 O GLY A 41 1.440 30.542 -8.175 1.00 0.00 O ATOM 0 H GLY A 41 -2.049 28.099 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.660 29.485 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.438 30.228 -7.870 1.00 0.00 H new ATOM 616 N THR A 42 0.965 29.322 -6.416 1.00 0.00 N ATOM 617 CA THR A 42 2.282 29.627 -5.789 1.00 0.00 C ATOM 618 C THR A 42 3.229 28.434 -5.924 1.00 0.00 C ATOM 619 O THR A 42 4.226 28.337 -5.236 1.00 0.00 O ATOM 620 CB THR A 42 1.959 29.900 -4.321 1.00 0.00 C ATOM 621 OG1 THR A 42 1.485 28.705 -3.714 1.00 0.00 O ATOM 622 CG2 THR A 42 0.884 30.984 -4.235 1.00 0.00 C ATOM 0 H THR A 42 0.355 28.713 -5.870 1.00 0.00 H new ATOM 0 HA THR A 42 2.781 30.472 -6.263 1.00 0.00 H new ATOM 0 HB THR A 42 2.856 30.237 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.279 28.876 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.650 31.182 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.250 31.897 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.015 30.646 -4.750 1.00 0.00 H new ATOM 630 N TYR A 43 2.926 27.525 -6.809 1.00 0.00 N ATOM 631 CA TYR A 43 3.809 26.340 -6.997 1.00 0.00 C ATOM 632 C TYR A 43 4.909 26.666 -8.012 1.00 0.00 C ATOM 633 O TYR A 43 4.638 27.086 -9.120 1.00 0.00 O ATOM 634 CB TYR A 43 2.883 25.240 -7.530 1.00 0.00 C ATOM 635 CG TYR A 43 3.693 24.198 -8.271 1.00 0.00 C ATOM 636 CD1 TYR A 43 4.517 23.317 -7.563 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.618 24.119 -9.667 1.00 0.00 C ATOM 638 CE1 TYR A 43 5.266 22.355 -8.249 1.00 0.00 C ATOM 639 CE2 TYR A 43 4.369 23.157 -10.354 1.00 0.00 C ATOM 640 CZ TYR A 43 5.192 22.275 -9.645 1.00 0.00 C ATOM 641 OH TYR A 43 5.933 21.328 -10.323 1.00 0.00 O ATOM 0 H TYR A 43 2.103 27.552 -7.411 1.00 0.00 H new ATOM 0 HA TYR A 43 4.307 26.037 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.344 24.775 -6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.136 25.673 -8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.575 23.379 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.982 24.799 -10.213 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.901 21.674 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.313 23.096 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 43 6.648 21.771 -10.826 1.00 0.00 H new ATOM 651 N ILE A 44 6.145 26.470 -7.646 1.00 0.00 N ATOM 652 CA ILE A 44 7.256 26.761 -8.596 1.00 0.00 C ATOM 653 C ILE A 44 7.865 25.449 -9.099 1.00 0.00 C ATOM 654 O ILE A 44 7.990 24.496 -8.356 1.00 0.00 O ATOM 655 CB ILE A 44 8.278 27.559 -7.786 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.675 28.913 -7.401 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.532 27.787 -8.633 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.641 28.722 -6.289 1.00 0.00 C ATOM 0 H ILE A 44 6.434 26.122 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 44 6.921 27.315 -9.473 1.00 0.00 H new ATOM 0 HB ILE A 44 8.541 27.005 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.461 29.590 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.206 29.373 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.262 28.356 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.961 26.825 -8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.267 28.343 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.215 29.688 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.848 28.061 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.122 28.281 -5.416 1.00 0.00 H new ATOM 670 N PRO A 45 8.215 25.444 -10.356 1.00 0.00 N ATOM 671 CA PRO A 45 8.810 24.233 -10.977 1.00 0.00 C ATOM 672 C PRO A 45 10.227 23.990 -10.447 1.00 0.00 C ATOM 673 O PRO A 45 11.183 24.574 -10.916 1.00 0.00 O ATOM 674 CB PRO A 45 8.831 24.571 -12.465 1.00 0.00 C ATOM 675 CG PRO A 45 8.844 26.065 -12.523 1.00 0.00 C ATOM 676 CD PRO A 45 8.096 26.553 -11.309 1.00 0.00 C ATOM 0 HA PRO A 45 8.252 23.322 -10.758 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.710 24.150 -12.953 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.958 24.164 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.866 26.443 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.370 26.421 -13.438 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.532 27.470 -10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.054 26.770 -11.542 1.00 0.00 H new ATOM 684 N ARG A 46 10.370 23.128 -9.473 1.00 0.00 N ATOM 685 CA ARG A 46 11.727 22.846 -8.919 1.00 0.00 C ATOM 686 C ARG A 46 12.097 21.375 -9.135 1.00 0.00 C ATOM 687 O ARG A 46 11.246 20.533 -9.344 1.00 0.00 O ATOM 688 CB ARG A 46 11.624 23.159 -7.425 1.00 0.00 C ATOM 689 CG ARG A 46 12.927 23.806 -6.952 1.00 0.00 C ATOM 690 CD ARG A 46 12.851 25.319 -7.163 1.00 0.00 C ATOM 691 NE ARG A 46 13.611 25.907 -6.027 1.00 0.00 N ATOM 692 CZ ARG A 46 14.912 25.822 -6.004 1.00 0.00 C ATOM 693 NH1 ARG A 46 15.484 24.714 -5.622 1.00 0.00 N ATOM 694 NH2 ARG A 46 15.641 26.843 -6.363 1.00 0.00 N ATOM 0 H ARG A 46 9.607 22.609 -9.039 1.00 0.00 H new ATOM 0 HA ARG A 46 12.499 23.441 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.784 23.828 -7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.434 22.245 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.095 23.583 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.772 23.393 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.287 25.606 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.817 25.665 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 46 13.116 26.375 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.914 23.916 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.502 24.645 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.193 27.709 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.659 26.775 -6.344 1.00 0.00 H new ATOM 708 N LYS A 47 13.364 21.063 -9.090 1.00 0.00 N ATOM 709 CA LYS A 47 13.799 19.651 -9.299 1.00 0.00 C ATOM 710 C LYS A 47 12.977 18.694 -8.428 1.00 0.00 C ATOM 711 O LYS A 47 12.724 17.566 -8.802 1.00 0.00 O ATOM 712 CB LYS A 47 15.268 19.624 -8.880 1.00 0.00 C ATOM 713 CG LYS A 47 15.403 20.139 -7.445 1.00 0.00 C ATOM 714 CD LYS A 47 16.777 19.754 -6.891 1.00 0.00 C ATOM 715 CE LYS A 47 16.949 20.342 -5.488 1.00 0.00 C ATOM 716 NZ LYS A 47 17.383 21.750 -5.710 1.00 0.00 N ATOM 0 H LYS A 47 14.119 21.727 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 47 13.658 19.331 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.658 18.609 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.861 20.241 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.281 21.222 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.616 19.717 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.875 18.669 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.563 20.124 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.016 20.301 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.691 19.786 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.395 21.840 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.221 22.011 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.836 22.383 -5.092 1.00 0.00 H new ATOM 730 N GLU A 48 12.559 19.130 -7.271 1.00 0.00 N ATOM 731 CA GLU A 48 11.758 18.234 -6.386 1.00 0.00 C ATOM 732 C GLU A 48 10.712 17.480 -7.206 1.00 0.00 C ATOM 733 O GLU A 48 10.479 16.309 -6.992 1.00 0.00 O ATOM 734 CB GLU A 48 11.080 19.163 -5.380 1.00 0.00 C ATOM 735 CG GLU A 48 11.132 18.530 -3.987 1.00 0.00 C ATOM 736 CD GLU A 48 12.520 18.742 -3.382 1.00 0.00 C ATOM 737 OE1 GLU A 48 13.201 19.654 -3.818 1.00 0.00 O ATOM 738 OE2 GLU A 48 12.878 17.987 -2.493 1.00 0.00 O ATOM 0 H GLU A 48 12.736 20.064 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 48 12.378 17.485 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.579 20.132 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.045 19.340 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.372 18.975 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.911 17.465 -4.052 1.00 0.00 H new ATOM 745 N VAL A 49 10.084 18.135 -8.144 1.00 0.00 N ATOM 746 CA VAL A 49 9.056 17.441 -8.974 1.00 0.00 C ATOM 747 C VAL A 49 9.000 18.062 -10.373 1.00 0.00 C ATOM 748 O VAL A 49 9.554 19.115 -10.620 1.00 0.00 O ATOM 749 CB VAL A 49 7.717 17.627 -8.230 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.949 17.624 -6.715 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.068 18.956 -8.632 1.00 0.00 C ATOM 0 H VAL A 49 10.237 19.117 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 49 9.286 16.384 -9.107 1.00 0.00 H new ATOM 0 HB VAL A 49 7.057 16.802 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.997 17.756 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.394 16.675 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.621 18.439 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.124 19.075 -8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.735 19.779 -8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.882 18.960 -9.706 1.00 0.00 H new ATOM 761 N GLU A 50 8.330 17.418 -11.288 1.00 0.00 N ATOM 762 CA GLU A 50 8.235 17.972 -12.667 1.00 0.00 C ATOM 763 C GLU A 50 6.767 18.165 -13.052 1.00 0.00 C ATOM 764 O GLU A 50 5.977 17.244 -13.004 1.00 0.00 O ATOM 765 CB GLU A 50 8.893 16.920 -13.562 1.00 0.00 C ATOM 766 CG GLU A 50 10.189 16.431 -12.912 1.00 0.00 C ATOM 767 CD GLU A 50 10.824 15.350 -13.788 1.00 0.00 C ATOM 768 OE1 GLU A 50 10.315 14.242 -13.788 1.00 0.00 O ATOM 769 OE2 GLU A 50 11.808 15.648 -14.442 1.00 0.00 O ATOM 0 H GLU A 50 7.845 16.533 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 50 8.720 18.944 -12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.213 16.082 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.104 17.344 -14.544 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.881 17.264 -12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.982 16.034 -11.918 1.00 0.00 H new ATOM 776 N VAL A 51 6.396 19.356 -13.435 1.00 0.00 N ATOM 777 CA VAL A 51 4.979 19.601 -13.824 1.00 0.00 C ATOM 778 C VAL A 51 4.565 18.608 -14.913 1.00 0.00 C ATOM 779 O VAL A 51 5.279 18.400 -15.875 1.00 0.00 O ATOM 780 CB VAL A 51 4.962 21.029 -14.370 1.00 0.00 C ATOM 781 CG1 VAL A 51 3.518 21.462 -14.620 1.00 0.00 C ATOM 782 CG2 VAL A 51 5.610 21.970 -13.352 1.00 0.00 C ATOM 0 H VAL A 51 7.011 20.168 -13.495 1.00 0.00 H new ATOM 0 HA VAL A 51 4.288 19.476 -12.991 1.00 0.00 H new ATOM 0 HB VAL A 51 5.519 21.068 -15.306 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.506 22.480 -15.009 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.057 20.791 -15.345 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.960 21.424 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.599 22.989 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.053 21.932 -12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.640 21.661 -13.175 1.00 0.00 H new ATOM 792 N VAL A 52 3.426 17.989 -14.775 1.00 0.00 N ATOM 793 CA VAL A 52 2.989 17.009 -15.811 1.00 0.00 C ATOM 794 C VAL A 52 1.780 17.545 -16.583 1.00 0.00 C ATOM 795 O VAL A 52 1.752 17.528 -17.797 1.00 0.00 O ATOM 796 CB VAL A 52 2.616 15.746 -15.034 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.513 14.566 -16.001 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.696 15.450 -13.991 1.00 0.00 C ATOM 0 H VAL A 52 2.781 18.117 -13.995 1.00 0.00 H new ATOM 0 HA VAL A 52 3.770 16.818 -16.547 1.00 0.00 H new ATOM 0 HB VAL A 52 1.658 15.897 -14.536 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.247 13.665 -15.448 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.746 14.773 -16.748 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.472 14.418 -16.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.430 14.550 -13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.653 15.299 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.776 16.290 -13.301 1.00 0.00 H new ATOM 808 N GLU A 53 0.779 18.018 -15.891 1.00 0.00 N ATOM 809 CA GLU A 53 -0.428 18.550 -16.594 1.00 0.00 C ATOM 810 C GLU A 53 -1.069 19.663 -15.761 1.00 0.00 C ATOM 811 O GLU A 53 -0.739 19.856 -14.608 1.00 0.00 O ATOM 812 CB GLU A 53 -1.414 17.375 -16.730 1.00 0.00 C ATOM 813 CG GLU A 53 -0.701 16.026 -16.561 1.00 0.00 C ATOM 814 CD GLU A 53 -1.665 14.894 -16.918 1.00 0.00 C ATOM 815 OE1 GLU A 53 -2.387 15.041 -17.890 1.00 0.00 O ATOM 816 OE2 GLU A 53 -1.666 13.899 -16.211 1.00 0.00 O ATOM 0 H GLU A 53 0.743 18.060 -14.873 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.164 18.962 -17.568 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.201 17.469 -15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.897 17.414 -17.706 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.179 15.985 -17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.353 15.912 -15.534 1.00 0.00 H new ATOM 823 N ILE A 54 -1.992 20.385 -16.333 1.00 0.00 N ATOM 824 CA ILE A 54 -2.672 21.475 -15.572 1.00 0.00 C ATOM 825 C ILE A 54 -4.188 21.319 -15.726 1.00 0.00 C ATOM 826 O ILE A 54 -4.692 21.144 -16.817 1.00 0.00 O ATOM 827 CB ILE A 54 -2.206 22.805 -16.189 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.829 22.645 -16.850 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.111 23.864 -15.087 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.188 22.167 -15.811 1.00 0.00 C ATOM 0 H ILE A 54 -2.307 20.268 -17.296 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.429 21.441 -14.510 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.927 23.110 -16.948 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.889 21.930 -17.670 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.508 23.594 -17.278 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.781 24.809 -15.518 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.089 23.998 -14.625 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.395 23.540 -14.332 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.164 22.054 -16.283 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.256 22.898 -15.006 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.131 21.208 -15.404 1.00 0.00 H new ATOM 842 N ILE A 55 -4.920 21.364 -14.646 1.00 0.00 N ATOM 843 CA ILE A 55 -6.402 21.200 -14.750 1.00 0.00 C ATOM 844 C ILE A 55 -7.139 22.426 -14.198 1.00 0.00 C ATOM 845 O ILE A 55 -6.806 22.950 -13.152 1.00 0.00 O ATOM 846 CB ILE A 55 -6.726 19.935 -13.937 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.896 19.202 -14.600 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.110 20.285 -12.491 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.163 20.057 -14.495 1.00 0.00 C ATOM 0 H ILE A 55 -4.561 21.506 -13.702 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.727 21.106 -15.786 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.838 19.303 -13.915 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.666 19.001 -15.646 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.055 18.238 -14.117 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.333 19.370 -11.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.281 20.804 -12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.989 20.930 -12.494 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.995 19.534 -14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.396 20.235 -13.445 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.001 21.010 -14.998 1.00 0.00 H new ATOM 861 N GLN A 56 -8.150 22.872 -14.896 1.00 0.00 N ATOM 862 CA GLN A 56 -8.929 24.050 -14.425 1.00 0.00 C ATOM 863 C GLN A 56 -10.193 23.583 -13.698 1.00 0.00 C ATOM 864 O GLN A 56 -10.479 22.405 -13.627 1.00 0.00 O ATOM 865 CB GLN A 56 -9.293 24.814 -15.698 1.00 0.00 C ATOM 866 CG GLN A 56 -8.026 25.089 -16.508 1.00 0.00 C ATOM 867 CD GLN A 56 -7.159 26.111 -15.770 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.619 26.774 -14.863 1.00 0.00 O ATOM 869 NE2 GLN A 56 -5.912 26.265 -16.122 1.00 0.00 N ATOM 0 H GLN A 56 -8.470 22.468 -15.776 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.368 24.669 -13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.999 24.235 -16.293 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.785 25.753 -15.443 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.469 24.164 -16.657 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.288 25.466 -17.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.525 25.708 -16.884 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.325 26.942 -15.635 1.00 0.00 H new ATOM 878 N ALA A 57 -10.954 24.497 -13.161 1.00 0.00 N ATOM 879 CA ALA A 57 -12.200 24.103 -12.443 1.00 0.00 C ATOM 880 C ALA A 57 -13.379 24.091 -13.418 1.00 0.00 C ATOM 881 O ALA A 57 -13.490 24.946 -14.274 1.00 0.00 O ATOM 882 CB ALA A 57 -12.399 25.179 -11.376 1.00 0.00 C ATOM 0 H ALA A 57 -10.767 25.499 -13.188 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.132 23.106 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.299 24.960 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.538 25.193 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.502 26.152 -11.856 1.00 0.00 H new ATOM 888 N THR A 58 -14.258 23.132 -13.307 1.00 0.00 N ATOM 889 CA THR A 58 -15.414 23.092 -14.247 1.00 0.00 C ATOM 890 C THR A 58 -16.338 21.906 -13.952 1.00 0.00 C ATOM 891 O THR A 58 -16.847 21.281 -14.861 1.00 0.00 O ATOM 892 CB THR A 58 -14.781 22.927 -15.629 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.803 22.716 -16.594 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.833 21.724 -15.616 1.00 0.00 C ATOM 0 H THR A 58 -14.227 22.383 -12.615 1.00 0.00 H new ATOM 0 HA THR A 58 -16.029 23.988 -14.162 1.00 0.00 H new ATOM 0 HB THR A 58 -14.221 23.827 -15.883 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.331 21.929 -16.345 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.381 21.606 -16.601 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.050 21.886 -14.875 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.392 20.823 -15.363 1.00 0.00 H new ATOM 902 N ILE A 59 -16.572 21.579 -12.709 1.00 0.00 N ATOM 903 CA ILE A 59 -17.478 20.422 -12.435 1.00 0.00 C ATOM 904 C ILE A 59 -18.043 20.464 -11.004 1.00 0.00 C ATOM 905 O ILE A 59 -19.202 20.770 -10.807 1.00 0.00 O ATOM 906 CB ILE A 59 -16.616 19.174 -12.678 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.242 17.960 -11.990 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.204 19.388 -12.133 1.00 0.00 C ATOM 909 CD1 ILE A 59 -16.290 16.767 -12.112 1.00 0.00 C ATOM 0 H ILE A 59 -16.187 22.048 -11.889 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.356 20.434 -13.081 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.564 18.997 -13.752 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.435 18.181 -10.940 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.202 17.723 -12.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.605 18.495 -12.313 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.745 20.240 -12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -15.253 19.582 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.731 15.898 -11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.120 16.543 -13.165 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.340 17.009 -11.635 1.00 0.00 H new ATOM 921 N ILE A 60 -17.259 20.154 -10.006 1.00 0.00 N ATOM 922 CA ILE A 60 -17.800 20.179 -8.613 1.00 0.00 C ATOM 923 C ILE A 60 -18.224 21.599 -8.231 1.00 0.00 C ATOM 924 O ILE A 60 -17.796 22.567 -8.828 1.00 0.00 O ATOM 925 CB ILE A 60 -16.659 19.694 -7.720 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.213 18.303 -8.177 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.147 19.618 -6.272 1.00 0.00 C ATOM 928 CD1 ILE A 60 -14.950 17.897 -7.416 1.00 0.00 C ATOM 0 H ILE A 60 -16.278 19.887 -10.091 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.683 19.549 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.821 20.388 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.007 17.578 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.019 18.306 -9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.335 19.272 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -17.471 20.606 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -17.983 18.922 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.632 16.906 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.157 18.617 -7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.160 17.878 -6.347 1.00 0.00 H new ATOM 940 N ARG A 61 -19.068 21.730 -7.242 1.00 0.00 N ATOM 941 CA ARG A 61 -19.526 23.089 -6.824 1.00 0.00 C ATOM 942 C ARG A 61 -19.010 23.423 -5.422 1.00 0.00 C ATOM 943 O ARG A 61 -18.136 22.763 -4.896 1.00 0.00 O ATOM 944 CB ARG A 61 -21.053 23.005 -6.820 1.00 0.00 C ATOM 945 CG ARG A 61 -21.637 24.288 -7.409 1.00 0.00 C ATOM 946 CD ARG A 61 -22.522 24.970 -6.363 1.00 0.00 C ATOM 947 NE ARG A 61 -22.269 26.426 -6.535 1.00 0.00 N ATOM 948 CZ ARG A 61 -23.016 27.293 -5.911 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.207 27.573 -6.364 1.00 0.00 N ATOM 950 NH2 ARG A 61 -22.574 27.878 -4.831 1.00 0.00 N ATOM 0 H ARG A 61 -19.460 20.956 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 61 -19.156 23.868 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.382 22.143 -7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.417 22.861 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -20.834 24.959 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.220 24.059 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.574 24.731 -6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -22.267 24.641 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.512 26.745 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.553 27.113 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -24.792 28.251 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.644 27.657 -4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.159 28.556 -4.343 1.00 0.00 H new ATOM 964 N GLN A 62 -19.547 24.448 -4.817 1.00 0.00 N ATOM 965 CA GLN A 62 -19.093 24.836 -3.450 1.00 0.00 C ATOM 966 C GLN A 62 -19.659 23.874 -2.402 1.00 0.00 C ATOM 967 O GLN A 62 -18.945 23.083 -1.818 1.00 0.00 O ATOM 968 CB GLN A 62 -19.653 26.243 -3.232 1.00 0.00 C ATOM 969 CG GLN A 62 -19.299 26.726 -1.823 1.00 0.00 C ATOM 970 CD GLN A 62 -20.436 27.592 -1.280 1.00 0.00 C ATOM 971 OE1 GLN A 62 -20.773 27.512 -0.115 1.00 0.00 O ATOM 972 NE2 GLN A 62 -21.046 28.421 -2.080 1.00 0.00 N ATOM 0 H GLN A 62 -20.282 25.035 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 62 -18.007 24.803 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -19.243 26.927 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -20.735 26.239 -3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -19.132 25.873 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.371 27.298 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.763 28.488 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.806 29.003 -1.728 1.00 0.00 H new ATOM 981 N ASN A 63 -20.938 23.943 -2.157 1.00 0.00 N ATOM 982 CA ASN A 63 -21.553 23.040 -1.141 1.00 0.00 C ATOM 983 C ASN A 63 -21.358 21.574 -1.541 1.00 0.00 C ATOM 984 O ASN A 63 -21.202 20.708 -0.703 1.00 0.00 O ATOM 985 CB ASN A 63 -23.041 23.401 -1.134 1.00 0.00 C ATOM 986 CG ASN A 63 -23.201 24.922 -1.098 1.00 0.00 C ATOM 987 OD1 ASN A 63 -23.934 25.485 -1.887 1.00 0.00 O ATOM 988 ND2 ASN A 63 -22.541 25.616 -0.211 1.00 0.00 N ATOM 0 H ASN A 63 -21.585 24.585 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 63 -21.099 23.162 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -23.528 22.995 -2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -23.530 22.953 -0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -22.641 26.631 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -21.926 25.144 0.451 1.00 0.00 H new ATOM 995 N GLN A 64 -21.369 21.288 -2.815 1.00 0.00 N ATOM 996 CA GLN A 64 -21.189 19.876 -3.265 1.00 0.00 C ATOM 997 C GLN A 64 -19.845 19.318 -2.785 1.00 0.00 C ATOM 998 O GLN A 64 -18.839 20.000 -2.784 1.00 0.00 O ATOM 999 CB GLN A 64 -21.225 19.939 -4.792 1.00 0.00 C ATOM 1000 CG GLN A 64 -22.102 18.805 -5.326 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.227 17.779 -6.049 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -20.520 18.113 -6.978 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -21.250 16.534 -5.659 1.00 0.00 N ATOM 0 H GLN A 64 -21.495 21.970 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.960 19.220 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -21.618 20.902 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.216 19.854 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -22.637 18.328 -4.505 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -22.853 19.203 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -21.844 16.255 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -20.674 15.840 -6.135 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.824 18.075 -2.386 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.553 17.456 -1.912 1.00 0.00 C ATOM 1014 C ALA A 65 -18.243 16.206 -2.744 1.00 0.00 C ATOM 1015 O ALA A 65 -19.127 15.444 -3.088 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.817 17.080 -0.454 1.00 0.00 C ATOM 0 H ALA A 65 -20.637 17.459 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.699 18.126 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.926 16.616 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.064 17.977 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.649 16.378 -0.404 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.997 15.989 -3.076 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.645 14.789 -3.890 1.00 0.00 C ATOM 1024 C LEU A 66 -15.552 13.972 -3.197 1.00 0.00 C ATOM 1025 O LEU A 66 -14.407 14.369 -3.154 1.00 0.00 O ATOM 1026 CB LEU A 66 -16.126 15.353 -5.213 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.985 14.834 -6.365 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.885 13.309 -6.430 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -18.443 15.242 -6.137 1.00 0.00 C ATOM 0 H LEU A 66 -16.212 16.588 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.497 14.123 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.151 16.442 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.086 15.061 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.631 15.260 -7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.498 12.939 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.847 13.019 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.239 12.881 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -19.057 14.872 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.798 14.816 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.514 16.329 -6.092 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.889 12.828 -2.670 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.855 11.991 -1.995 1.00 0.00 C ATOM 1043 C ARG A 67 -14.239 11.025 -3.005 1.00 0.00 C ATOM 1044 O ARG A 67 -14.932 10.420 -3.798 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.603 11.229 -0.903 1.00 0.00 C ATOM 1046 CG ARG A 67 -14.776 11.244 0.384 1.00 0.00 C ATOM 1047 CD ARG A 67 -14.950 9.915 1.122 1.00 0.00 C ATOM 1048 NE ARG A 67 -16.415 9.800 1.362 1.00 0.00 N ATOM 1049 CZ ARG A 67 -17.124 8.950 0.673 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -16.851 7.675 0.732 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -18.105 9.372 -0.077 1.00 0.00 N ATOM 0 H ARG A 67 -16.831 12.437 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.042 12.586 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.577 11.685 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.785 10.202 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.724 11.407 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.092 12.070 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.580 9.081 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.394 9.908 2.060 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.864 10.386 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.084 7.344 1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.405 7.009 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.318 10.368 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.659 8.706 -0.615 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.941 10.881 -2.993 1.00 0.00 N ATOM 1066 CA LEU A 68 -12.288 9.960 -3.972 1.00 0.00 C ATOM 1067 C LEU A 68 -11.252 9.070 -3.279 1.00 0.00 C ATOM 1068 O LEU A 68 -10.637 9.454 -2.303 1.00 0.00 O ATOM 1069 CB LEU A 68 -11.597 10.870 -4.998 1.00 0.00 C ATOM 1070 CG LEU A 68 -12.436 12.128 -5.248 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -11.744 13.003 -6.293 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -13.821 11.731 -5.762 1.00 0.00 C ATOM 0 H LEU A 68 -12.306 11.358 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 68 -13.017 9.296 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.608 11.151 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.453 10.330 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.539 12.681 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.341 13.898 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.757 13.291 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.640 12.445 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.414 12.628 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.718 11.175 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.319 11.107 -5.020 1.00 0.00 H new ATOM 1084 N ARG A 69 -11.047 7.885 -3.792 1.00 0.00 N ATOM 1085 CA ARG A 69 -10.044 6.965 -3.182 1.00 0.00 C ATOM 1086 C ARG A 69 -8.807 6.880 -4.084 1.00 0.00 C ATOM 1087 O ARG A 69 -8.849 7.260 -5.236 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.745 5.606 -3.105 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.940 4.662 -2.207 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.466 3.233 -2.367 1.00 0.00 C ATOM 1091 NE ARG A 69 -11.464 3.064 -1.273 1.00 0.00 N ATOM 1092 CZ ARG A 69 -12.668 2.642 -1.549 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -13.543 3.459 -2.069 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -12.998 1.403 -1.302 1.00 0.00 N ATOM 0 H ARG A 69 -11.533 7.515 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.709 7.303 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.754 5.728 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.843 5.179 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.883 4.704 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.020 4.976 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.925 3.089 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.660 2.504 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.206 3.278 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.286 4.427 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.484 3.129 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.315 0.765 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.939 1.073 -1.518 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.711 6.391 -3.574 1.00 0.00 N ATOM 1109 CA ALA A 70 -6.482 6.292 -4.416 1.00 0.00 C ATOM 1110 C ALA A 70 -6.545 5.052 -5.312 1.00 0.00 C ATOM 1111 O ALA A 70 -6.592 3.935 -4.839 1.00 0.00 O ATOM 1112 CB ALA A 70 -5.324 6.166 -3.422 1.00 0.00 C ATOM 0 H ALA A 70 -7.611 6.057 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.369 7.155 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.383 6.088 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.299 7.046 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.464 5.274 -2.811 1.00 0.00 H new ATOM 1118 N ARG A 71 -6.530 5.238 -6.604 1.00 0.00 N ATOM 1119 CA ARG A 71 -6.571 4.065 -7.523 1.00 0.00 C ATOM 1120 C ARG A 71 -5.183 3.422 -7.578 1.00 0.00 C ATOM 1121 O ARG A 71 -5.040 2.229 -7.762 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.961 4.639 -8.890 1.00 0.00 C ATOM 1123 CG ARG A 71 -6.527 3.676 -10.000 1.00 0.00 C ATOM 1124 CD ARG A 71 -7.144 4.112 -11.330 1.00 0.00 C ATOM 1125 NE ARG A 71 -6.001 4.169 -12.284 1.00 0.00 N ATOM 1126 CZ ARG A 71 -5.808 3.194 -13.130 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -5.234 2.091 -12.734 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -6.187 3.322 -14.372 1.00 0.00 N ATOM 0 H ARG A 71 -6.491 6.149 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.275 3.298 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.039 4.797 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.490 5.611 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.440 3.663 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.841 2.661 -9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.902 3.404 -11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.632 5.083 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.369 4.970 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.936 1.991 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.083 1.329 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.634 4.184 -14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.036 2.560 -15.033 1.00 0.00 H new ATOM 1142 N LYS A 72 -4.162 4.214 -7.408 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.773 3.676 -7.433 1.00 0.00 C ATOM 1144 C LYS A 72 -1.989 4.250 -6.249 1.00 0.00 C ATOM 1145 O LYS A 72 -2.338 5.279 -5.706 1.00 0.00 O ATOM 1146 CB LYS A 72 -2.183 4.149 -8.764 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.662 3.996 -8.730 1.00 0.00 C ATOM 1148 CD LYS A 72 -0.301 2.515 -8.616 1.00 0.00 C ATOM 1149 CE LYS A 72 0.092 1.980 -9.993 1.00 0.00 C ATOM 1150 NZ LYS A 72 -0.868 0.876 -10.264 1.00 0.00 N ATOM 0 H LYS A 72 -4.231 5.220 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.737 2.590 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.600 3.567 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.451 5.190 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.223 4.420 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.249 4.548 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.522 2.383 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.148 1.952 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.024 2.758 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.121 1.619 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.662 0.457 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.776 0.147 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.838 1.251 -10.260 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.943 3.593 -5.834 1.00 0.00 N ATOM 1165 CA GLU A 73 -0.159 4.110 -4.674 1.00 0.00 C ATOM 1166 C GLU A 73 0.868 5.152 -5.132 1.00 0.00 C ATOM 1167 O GLU A 73 0.960 5.480 -6.298 1.00 0.00 O ATOM 1168 CB GLU A 73 0.540 2.879 -4.095 1.00 0.00 C ATOM 1169 CG GLU A 73 1.491 2.293 -5.139 1.00 0.00 C ATOM 1170 CD GLU A 73 2.774 1.820 -4.454 1.00 0.00 C ATOM 1171 OE1 GLU A 73 3.636 2.649 -4.218 1.00 0.00 O ATOM 1172 OE2 GLU A 73 2.871 0.636 -4.175 1.00 0.00 O ATOM 0 H GLU A 73 -0.597 2.725 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.793 4.607 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.093 3.151 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.199 2.133 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.013 1.460 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.725 3.043 -5.895 1.00 0.00 H new ATOM 1179 N CYS A 74 1.636 5.675 -4.208 1.00 0.00 N ATOM 1180 CA CYS A 74 2.675 6.703 -4.546 1.00 0.00 C ATOM 1181 C CYS A 74 2.033 8.079 -4.826 1.00 0.00 C ATOM 1182 O CYS A 74 2.710 9.088 -4.827 1.00 0.00 O ATOM 1183 CB CYS A 74 3.442 6.130 -5.766 1.00 0.00 C ATOM 1184 SG CYS A 74 3.468 7.293 -7.163 1.00 0.00 S ATOM 0 H CYS A 74 1.588 5.431 -3.219 1.00 0.00 H new ATOM 0 HA CYS A 74 3.360 6.885 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.465 5.893 -5.472 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.976 5.196 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 74 4.674 7.369 -7.642 1.00 0.00 H new ATOM 1190 N TRP A 75 0.747 8.139 -5.058 1.00 0.00 N ATOM 1191 CA TRP A 75 0.105 9.457 -5.327 1.00 0.00 C ATOM 1192 C TRP A 75 -0.017 10.263 -4.027 1.00 0.00 C ATOM 1193 O TRP A 75 -0.867 9.996 -3.200 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.280 9.099 -5.880 1.00 0.00 C ATOM 1195 CG TRP A 75 -2.244 10.221 -5.639 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -2.101 11.479 -6.112 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.490 10.208 -4.879 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -3.177 12.241 -5.692 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -4.060 11.502 -4.930 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -4.173 9.211 -4.159 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -5.266 11.796 -4.290 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -5.386 9.506 -3.514 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.930 10.794 -3.580 1.00 0.00 C ATOM 0 H TRP A 75 0.118 7.336 -5.073 1.00 0.00 H new ATOM 0 HA TRP A 75 0.678 10.073 -6.020 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.210 8.894 -6.948 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.645 8.189 -5.404 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.280 11.832 -6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -3.302 13.228 -5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.763 8.214 -4.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.682 12.791 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.902 8.733 -2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.863 11.013 -3.082 1.00 0.00 H new ATOM 1214 N ASP A 76 0.814 11.253 -3.844 1.00 0.00 N ATOM 1215 CA ASP A 76 0.724 12.073 -2.602 1.00 0.00 C ATOM 1216 C ASP A 76 -0.325 13.175 -2.786 1.00 0.00 C ATOM 1217 O ASP A 76 -0.262 13.953 -3.716 1.00 0.00 O ATOM 1218 CB ASP A 76 2.118 12.675 -2.415 1.00 0.00 C ATOM 1219 CG ASP A 76 2.341 13.779 -3.450 1.00 0.00 C ATOM 1220 OD1 ASP A 76 2.150 13.509 -4.623 1.00 0.00 O ATOM 1221 OD2 ASP A 76 2.699 14.875 -3.051 1.00 0.00 O ATOM 0 H ASP A 76 1.548 11.529 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 76 0.424 11.485 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.218 13.080 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.878 11.901 -2.524 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.295 13.240 -1.914 1.00 0.00 N ATOM 1227 CA ARG A 77 -2.349 14.289 -2.050 1.00 0.00 C ATOM 1228 C ARG A 77 -1.853 15.623 -1.489 1.00 0.00 C ATOM 1229 O ARG A 77 -1.782 16.612 -2.189 1.00 0.00 O ATOM 1230 CB ARG A 77 -3.534 13.774 -1.230 1.00 0.00 C ATOM 1231 CG ARG A 77 -4.037 12.459 -1.829 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.858 11.331 -0.810 1.00 0.00 C ATOM 1233 NE ARG A 77 -4.817 11.645 0.285 1.00 0.00 N ATOM 1234 CZ ARG A 77 -4.418 12.322 1.329 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -3.237 12.102 1.839 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -5.203 13.218 1.863 1.00 0.00 N ATOM 0 H ARG A 77 -1.404 12.615 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.617 14.464 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.234 13.622 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.335 14.513 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.088 12.551 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.487 12.229 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.072 10.359 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.834 11.293 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.785 11.332 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.624 11.401 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.927 12.631 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.127 13.389 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.893 13.747 2.678 1.00 0.00 H new ATOM 1250 N ASP A 78 -1.510 15.658 -0.231 1.00 0.00 N ATOM 1251 CA ASP A 78 -1.022 16.931 0.371 1.00 0.00 C ATOM 1252 C ASP A 78 0.499 16.887 0.542 1.00 0.00 C ATOM 1253 O ASP A 78 1.083 17.732 1.191 1.00 0.00 O ATOM 1254 CB ASP A 78 -1.713 17.018 1.732 1.00 0.00 C ATOM 1255 CG ASP A 78 -1.840 18.484 2.148 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.816 19.137 2.267 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -2.960 18.930 2.339 1.00 0.00 O ATOM 0 H ASP A 78 -1.546 14.862 0.405 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.246 17.795 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.699 16.557 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.141 16.466 2.478 1.00 0.00 H new ATOM 1262 N GLY A 79 1.143 15.911 -0.036 1.00 0.00 N ATOM 1263 CA GLY A 79 2.625 15.818 0.093 1.00 0.00 C ATOM 1264 C GLY A 79 2.996 14.530 0.831 1.00 0.00 C ATOM 1265 O GLY A 79 4.130 14.333 1.224 1.00 0.00 O ATOM 0 H GLY A 79 0.708 15.174 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.088 15.830 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.008 16.683 0.635 1.00 0.00 H new ATOM 1269 N LYS A 80 2.052 13.650 1.021 1.00 0.00 N ATOM 1270 CA LYS A 80 2.353 12.375 1.733 1.00 0.00 C ATOM 1271 C LYS A 80 2.152 11.181 0.797 1.00 0.00 C ATOM 1272 O LYS A 80 1.045 10.865 0.409 1.00 0.00 O ATOM 1273 CB LYS A 80 1.350 12.315 2.886 1.00 0.00 C ATOM 1274 CG LYS A 80 1.296 13.670 3.591 1.00 0.00 C ATOM 1275 CD LYS A 80 0.698 13.493 4.987 1.00 0.00 C ATOM 1276 CE LYS A 80 1.576 14.211 6.015 1.00 0.00 C ATOM 1277 NZ LYS A 80 0.802 15.422 6.403 1.00 0.00 N ATOM 0 H LYS A 80 1.085 13.758 0.714 1.00 0.00 H new ATOM 0 HA LYS A 80 3.385 12.338 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.362 12.051 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.640 11.537 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.297 14.095 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.694 14.370 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.315 13.896 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.626 12.433 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.773 13.575 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.543 14.480 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.340 15.967 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.635 16.011 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.110 15.135 6.811 1.00 0.00 H new ATOM 1291 N GLU A 81 3.212 10.511 0.435 1.00 0.00 N ATOM 1292 CA GLU A 81 3.071 9.334 -0.468 1.00 0.00 C ATOM 1293 C GLU A 81 2.424 8.174 0.293 1.00 0.00 C ATOM 1294 O GLU A 81 3.061 7.504 1.082 1.00 0.00 O ATOM 1295 CB GLU A 81 4.498 8.976 -0.891 1.00 0.00 C ATOM 1296 CG GLU A 81 5.362 8.756 0.352 1.00 0.00 C ATOM 1297 CD GLU A 81 6.423 9.855 0.444 1.00 0.00 C ATOM 1298 OE1 GLU A 81 6.515 10.646 -0.480 1.00 0.00 O ATOM 1299 OE2 GLU A 81 7.130 9.886 1.439 1.00 0.00 O ATOM 0 H GLU A 81 4.166 10.727 0.724 1.00 0.00 H new ATOM 0 HA GLU A 81 2.440 9.545 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.491 8.076 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.918 9.775 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.738 8.763 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.841 7.778 0.305 1.00 0.00 H new ATOM 1306 N ARG A 82 1.160 7.934 0.069 1.00 0.00 N ATOM 1307 CA ARG A 82 0.471 6.823 0.785 1.00 0.00 C ATOM 1308 C ARG A 82 0.159 5.679 -0.184 1.00 0.00 C ATOM 1309 O ARG A 82 0.443 5.757 -1.363 1.00 0.00 O ATOM 1310 CB ARG A 82 -0.821 7.441 1.322 1.00 0.00 C ATOM 1311 CG ARG A 82 -0.499 8.344 2.514 1.00 0.00 C ATOM 1312 CD ARG A 82 -1.007 7.690 3.802 1.00 0.00 C ATOM 1313 NE ARG A 82 -0.038 6.595 4.083 1.00 0.00 N ATOM 1314 CZ ARG A 82 0.383 6.391 5.302 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -0.365 5.740 6.150 1.00 0.00 N ATOM 1316 NH2 ARG A 82 1.549 6.841 5.673 1.00 0.00 N ATOM 0 H ARG A 82 0.575 8.460 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 82 1.084 6.402 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.314 8.017 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.514 6.656 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.576 8.510 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.965 9.320 2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.042 8.407 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.017 7.301 3.676 1.00 0.00 H new ATOM 0 HE ARG A 82 0.297 6.004 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.279 5.390 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.036 5.581 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.132 7.353 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.878 6.682 6.625 1.00 0.00 H new ATOM 1330 N VAL A 83 -0.426 4.618 0.305 1.00 0.00 N ATOM 1331 CA VAL A 83 -0.758 3.469 -0.585 1.00 0.00 C ATOM 1332 C VAL A 83 -2.006 3.782 -1.412 1.00 0.00 C ATOM 1333 O VAL A 83 -2.648 4.797 -1.224 1.00 0.00 O ATOM 1334 CB VAL A 83 -1.028 2.301 0.361 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -2.319 2.564 1.141 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -1.178 1.012 -0.451 1.00 0.00 C ATOM 0 H VAL A 83 -0.688 4.498 1.283 1.00 0.00 H new ATOM 0 HA VAL A 83 0.045 3.250 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.196 2.198 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.512 1.731 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.214 3.482 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.151 2.666 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.371 0.178 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.010 1.115 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.260 0.824 -1.008 1.00 0.00 H new ATOM 1346 N THR A 84 -2.360 2.917 -2.323 1.00 0.00 N ATOM 1347 CA THR A 84 -3.573 3.168 -3.152 1.00 0.00 C ATOM 1348 C THR A 84 -4.830 3.040 -2.291 1.00 0.00 C ATOM 1349 O THR A 84 -5.898 3.484 -2.662 1.00 0.00 O ATOM 1350 CB THR A 84 -3.549 2.093 -4.240 1.00 0.00 C ATOM 1351 OG1 THR A 84 -4.551 2.379 -5.205 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.818 0.724 -3.615 1.00 0.00 C ATOM 0 H THR A 84 -1.864 2.050 -2.529 1.00 0.00 H new ATOM 0 HA THR A 84 -3.581 4.170 -3.580 1.00 0.00 H new ATOM 0 HB THR A 84 -2.571 2.084 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.148 3.076 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.800 -0.040 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.050 0.505 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.796 0.730 -3.134 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.712 2.438 -1.138 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.900 2.287 -0.253 1.00 0.00 C ATOM 1362 C GLY A 85 -6.258 3.648 0.345 1.00 0.00 C ATOM 1363 O GLY A 85 -7.380 3.886 0.747 1.00 0.00 O ATOM 0 H GLY A 85 -3.845 2.045 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.743 1.893 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.688 1.572 0.542 1.00 0.00 H new ATOM 1367 N GLU A 86 -5.312 4.545 0.406 1.00 0.00 N ATOM 1368 CA GLU A 86 -5.595 5.893 0.977 1.00 0.00 C ATOM 1369 C GLU A 86 -6.638 6.619 0.126 1.00 0.00 C ATOM 1370 O GLU A 86 -6.857 6.287 -1.022 1.00 0.00 O ATOM 1371 CB GLU A 86 -4.256 6.633 0.931 1.00 0.00 C ATOM 1372 CG GLU A 86 -4.491 8.134 1.117 1.00 0.00 C ATOM 1373 CD GLU A 86 -4.968 8.402 2.545 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -4.122 8.566 3.410 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -6.169 8.437 2.751 1.00 0.00 O ATOM 0 H GLU A 86 -4.354 4.403 0.085 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.995 5.836 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.595 6.259 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.759 6.448 -0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.571 8.684 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.233 8.488 0.402 1.00 0.00 H new ATOM 1382 N GLU A 87 -7.283 7.608 0.680 1.00 0.00 N ATOM 1383 CA GLU A 87 -8.308 8.357 -0.099 1.00 0.00 C ATOM 1384 C GLU A 87 -8.380 9.808 0.382 1.00 0.00 C ATOM 1385 O GLU A 87 -8.021 10.120 1.501 1.00 0.00 O ATOM 1386 CB GLU A 87 -9.628 7.633 0.181 1.00 0.00 C ATOM 1387 CG GLU A 87 -10.066 7.907 1.622 1.00 0.00 C ATOM 1388 CD GLU A 87 -11.484 7.371 1.834 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -12.413 8.003 1.359 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -11.616 6.337 2.468 1.00 0.00 O ATOM 0 H GLU A 87 -7.145 7.930 1.638 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.077 8.386 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.396 7.973 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.507 6.561 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.377 7.430 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.036 8.977 1.825 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.847 10.697 -0.450 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.946 12.122 -0.031 1.00 0.00 C ATOM 1399 C TRP A 88 -10.294 12.699 -0.477 1.00 0.00 C ATOM 1400 O TRP A 88 -10.850 12.298 -1.481 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.748 12.824 -0.703 1.00 0.00 C ATOM 1402 CG TRP A 88 -8.171 13.583 -1.927 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.892 13.075 -2.953 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.903 14.976 -2.264 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -9.085 14.070 -3.898 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.494 15.259 -3.518 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -7.212 16.010 -1.607 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.402 16.525 -4.100 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -7.117 17.283 -2.191 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.711 17.541 -3.434 1.00 0.00 C ATOM 0 H TRP A 88 -9.163 10.499 -1.399 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.907 12.257 1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.280 13.507 0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.996 12.083 -0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.257 12.061 -3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.601 13.940 -4.768 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.752 15.824 -0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.862 16.718 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.582 18.069 -1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.635 18.523 -3.876 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.827 13.624 0.268 1.00 0.00 N ATOM 1422 CA LEU A 89 -12.141 14.211 -0.110 1.00 0.00 C ATOM 1423 C LEU A 89 -11.947 15.583 -0.757 1.00 0.00 C ATOM 1424 O LEU A 89 -11.282 16.448 -0.224 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.911 14.323 1.209 1.00 0.00 C ATOM 1426 CG LEU A 89 -14.063 15.330 1.081 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.522 16.753 1.232 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.740 15.182 -0.287 1.00 0.00 C ATOM 0 H LEU A 89 -10.411 13.999 1.121 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.676 13.604 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.305 13.346 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.235 14.635 2.005 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.794 15.134 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.342 17.466 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.053 16.862 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.785 16.947 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.556 15.900 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.011 15.369 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.135 14.171 -0.390 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.526 15.779 -1.908 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.388 17.087 -2.610 1.00 0.00 C ATOM 1442 C VAL A 90 -13.502 18.041 -2.168 1.00 0.00 C ATOM 1443 O VAL A 90 -14.675 17.731 -2.266 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.528 16.757 -4.098 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -11.938 17.897 -4.932 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.778 15.460 -4.414 1.00 0.00 C ATOM 0 H VAL A 90 -13.093 15.086 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.440 17.576 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.584 16.633 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.038 17.662 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.472 18.822 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.883 18.020 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.881 15.229 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.723 15.581 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.196 14.645 -3.823 1.00 0.00 H new ATOM 1456 N THR A 91 -13.146 19.200 -1.685 1.00 0.00 N ATOM 1457 CA THR A 91 -14.182 20.177 -1.240 1.00 0.00 C ATOM 1458 C THR A 91 -13.910 21.546 -1.869 1.00 0.00 C ATOM 1459 O THR A 91 -14.169 22.575 -1.276 1.00 0.00 O ATOM 1460 CB THR A 91 -14.047 20.247 0.285 1.00 0.00 C ATOM 1461 OG1 THR A 91 -13.094 19.290 0.725 1.00 0.00 O ATOM 1462 CG2 THR A 91 -15.402 19.954 0.932 1.00 0.00 C ATOM 0 H THR A 91 -12.181 19.514 -1.579 1.00 0.00 H new ATOM 0 HA THR A 91 -15.187 19.879 -1.539 1.00 0.00 H new ATOM 0 HB THR A 91 -13.715 21.245 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.066 19.282 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.306 20.004 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.132 20.692 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.735 18.957 0.643 1.00 0.00 H new ATOM 1470 N THR A 92 -13.388 21.565 -3.066 1.00 0.00 N ATOM 1471 CA THR A 92 -13.099 22.867 -3.734 1.00 0.00 C ATOM 1472 C THR A 92 -14.401 23.494 -4.239 1.00 0.00 C ATOM 1473 O THR A 92 -15.358 22.807 -4.533 1.00 0.00 O ATOM 1474 CB THR A 92 -12.178 22.521 -4.908 1.00 0.00 C ATOM 1475 OG1 THR A 92 -12.137 21.110 -5.083 1.00 0.00 O ATOM 1476 CG2 THR A 92 -10.768 23.042 -4.625 1.00 0.00 C ATOM 0 H THR A 92 -13.149 20.736 -3.610 1.00 0.00 H new ATOM 0 HA THR A 92 -12.637 23.586 -3.057 1.00 0.00 H new ATOM 0 HB THR A 92 -12.561 22.987 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.307 20.892 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.114 22.795 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 92 -10.799 24.124 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.385 22.579 -3.716 1.00 0.00 H new ATOM 1484 N VAL A 93 -14.445 24.793 -4.339 1.00 0.00 N ATOM 1485 CA VAL A 93 -15.689 25.458 -4.821 1.00 0.00 C ATOM 1486 C VAL A 93 -15.616 25.682 -6.333 1.00 0.00 C ATOM 1487 O VAL A 93 -14.856 26.498 -6.815 1.00 0.00 O ATOM 1488 CB VAL A 93 -15.737 26.790 -4.077 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -17.032 27.523 -4.426 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -15.691 26.526 -2.569 1.00 0.00 C ATOM 0 H VAL A 93 -13.676 25.422 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.580 24.858 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.884 27.403 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -17.066 28.474 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -17.069 27.706 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -17.886 26.913 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -15.725 27.474 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -16.546 25.915 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.769 26.001 -2.320 1.00 0.00 H new ATOM 1500 N GLY A 94 -16.398 24.956 -7.085 1.00 0.00 N ATOM 1501 CA GLY A 94 -16.371 25.121 -8.566 1.00 0.00 C ATOM 1502 C GLY A 94 -15.047 24.581 -9.106 1.00 0.00 C ATOM 1503 O GLY A 94 -14.148 25.331 -9.432 1.00 0.00 O ATOM 0 H GLY A 94 -17.054 24.256 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.207 24.588 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.483 26.173 -8.829 1.00 0.00 H new ATOM 1507 N ALA A 95 -14.916 23.285 -9.198 1.00 0.00 N ATOM 1508 CA ALA A 95 -13.644 22.705 -9.713 1.00 0.00 C ATOM 1509 C ALA A 95 -13.746 21.183 -9.817 1.00 0.00 C ATOM 1510 O ALA A 95 -14.787 20.603 -9.588 1.00 0.00 O ATOM 1511 CB ALA A 95 -12.592 23.094 -8.681 1.00 0.00 C ATOM 0 H ALA A 95 -15.632 22.606 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.403 23.072 -10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.621 22.704 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.539 24.180 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.862 22.677 -7.711 1.00 0.00 H new ATOM 1517 N TYR A 96 -12.668 20.534 -10.165 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.697 19.048 -10.294 1.00 0.00 C ATOM 1519 C TYR A 96 -11.747 18.400 -9.281 1.00 0.00 C ATOM 1520 O TYR A 96 -12.164 17.646 -8.423 1.00 0.00 O ATOM 1521 CB TYR A 96 -12.237 18.786 -11.731 1.00 0.00 C ATOM 1522 CG TYR A 96 -12.712 17.429 -12.203 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -12.933 16.394 -11.286 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.921 17.209 -13.571 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.364 15.140 -11.737 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -13.350 15.955 -14.020 1.00 0.00 C ATOM 1527 CZ TYR A 96 -13.572 14.920 -13.104 1.00 0.00 C ATOM 1528 OH TYR A 96 -13.992 13.683 -13.548 1.00 0.00 O ATOM 0 H TYR A 96 -11.767 20.969 -10.366 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.682 18.626 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -12.625 19.563 -12.390 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -11.149 18.836 -11.785 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -12.771 16.563 -10.232 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.751 18.007 -14.279 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.536 14.342 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.510 15.785 -15.075 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.089 13.701 -14.523 1.00 0.00 H new ATOM 1538 N LEU A 97 -10.479 18.678 -9.372 1.00 0.00 N ATOM 1539 CA LEU A 97 -9.512 18.067 -8.412 1.00 0.00 C ATOM 1540 C LEU A 97 -9.590 16.539 -8.501 1.00 0.00 C ATOM 1541 O LEU A 97 -9.760 15.865 -7.504 1.00 0.00 O ATOM 1542 CB LEU A 97 -9.970 18.544 -7.030 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.202 19.807 -6.636 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -7.699 19.548 -6.737 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.587 20.953 -7.573 1.00 0.00 C ATOM 0 H LEU A 97 -10.067 19.300 -10.067 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.481 18.353 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.041 18.748 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.803 17.760 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.454 20.076 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.155 20.450 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.424 18.734 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.445 19.275 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.039 21.853 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.338 20.683 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.658 21.141 -7.497 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.477 16.049 -9.705 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.548 14.586 -9.949 1.00 0.00 C ATOM 1559 C PRO A 98 -8.252 13.886 -9.523 1.00 0.00 C ATOM 1560 O PRO A 98 -8.134 12.680 -9.615 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.738 14.487 -11.459 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.155 15.750 -12.011 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.274 16.806 -10.944 1.00 0.00 C ATOM 0 HA PRO A 98 -10.345 14.105 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.232 13.610 -11.863 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.793 14.394 -11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.112 15.601 -12.289 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.685 16.055 -12.913 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.376 17.421 -10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.109 17.478 -11.141 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.279 14.624 -9.068 1.00 0.00 N ATOM 1572 CA ALA A 99 -5.997 13.985 -8.651 1.00 0.00 C ATOM 1573 C ALA A 99 -5.471 13.082 -9.770 1.00 0.00 C ATOM 1574 O ALA A 99 -6.070 12.970 -10.821 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.344 13.152 -7.416 1.00 0.00 C ATOM 0 H ALA A 99 -7.314 15.638 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.222 14.722 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.447 12.651 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.738 13.804 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.095 12.407 -7.679 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.362 12.431 -9.551 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.811 11.532 -10.605 1.00 0.00 C ATOM 1583 C VAL A 100 -4.230 10.086 -10.320 1.00 0.00 C ATOM 1584 O VAL A 100 -4.961 9.485 -11.081 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.291 11.689 -10.531 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.678 11.244 -11.860 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -1.931 13.158 -10.277 1.00 0.00 C ATOM 0 H VAL A 100 -3.815 12.482 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.181 11.783 -11.599 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.903 11.077 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.594 11.353 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.930 10.200 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.072 11.862 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.847 13.263 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.317 13.773 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.372 13.483 -9.335 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.788 9.522 -9.224 1.00 0.00 N ATOM 1598 CA PHE A 101 -4.189 8.122 -8.903 1.00 0.00 C ATOM 1599 C PHE A 101 -5.417 8.142 -7.991 1.00 0.00 C ATOM 1600 O PHE A 101 -5.342 7.783 -6.833 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.999 7.521 -8.155 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.746 7.588 -9.000 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.804 8.033 -10.329 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.520 7.199 -8.448 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.637 8.089 -11.098 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.646 7.256 -9.218 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.589 7.701 -10.544 1.00 0.00 C ATOM 0 H PHE A 101 -3.172 9.967 -8.544 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.440 7.549 -9.796 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.842 8.059 -7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.213 6.484 -7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.749 8.332 -10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.474 6.854 -7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.682 8.432 -12.121 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.591 6.957 -8.789 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.489 7.745 -11.139 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.542 8.574 -8.491 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.754 8.629 -7.624 1.00 0.00 C ATOM 1619 C GLU A 102 -9.005 8.183 -8.388 1.00 0.00 C ATOM 1620 O GLU A 102 -9.161 8.445 -9.564 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.863 10.101 -7.215 1.00 0.00 C ATOM 1622 CG GLU A 102 -9.288 10.413 -6.752 1.00 0.00 C ATOM 1623 CD GLU A 102 -10.145 10.793 -7.961 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -10.022 11.917 -8.420 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -10.909 9.954 -8.409 1.00 0.00 O ATOM 0 H GLU A 102 -6.675 8.888 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.675 7.961 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.156 10.317 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.597 10.741 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.716 9.547 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.277 11.229 -6.030 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.904 7.522 -7.710 1.00 0.00 N ATOM 1633 CA GLU A 103 -11.164 7.064 -8.361 1.00 0.00 C ATOM 1634 C GLU A 103 -12.349 7.434 -7.468 1.00 0.00 C ATOM 1635 O GLU A 103 -12.418 7.041 -6.321 1.00 0.00 O ATOM 1636 CB GLU A 103 -11.028 5.545 -8.476 1.00 0.00 C ATOM 1637 CG GLU A 103 -11.090 5.136 -9.949 1.00 0.00 C ATOM 1638 CD GLU A 103 -10.915 3.620 -10.061 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -10.438 3.026 -9.109 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -11.262 3.079 -11.098 1.00 0.00 O ATOM 0 H GLU A 103 -9.818 7.278 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.328 7.522 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.085 5.220 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.826 5.055 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.044 5.436 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.309 5.646 -10.513 1.00 0.00 H new ATOM 1647 N VAL A 104 -13.272 8.203 -7.974 1.00 0.00 N ATOM 1648 CA VAL A 104 -14.436 8.611 -7.136 1.00 0.00 C ATOM 1649 C VAL A 104 -15.447 7.470 -7.005 1.00 0.00 C ATOM 1650 O VAL A 104 -15.672 6.712 -7.928 1.00 0.00 O ATOM 1651 CB VAL A 104 -15.062 9.792 -7.875 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.507 9.344 -9.269 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -16.276 10.294 -7.089 1.00 0.00 C ATOM 0 H VAL A 104 -13.272 8.566 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.130 8.871 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.330 10.594 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.954 10.187 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.644 8.982 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.241 8.543 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.726 11.137 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -17.008 9.491 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.960 10.611 -6.095 1.00 0.00 H new ATOM 1663 N LEU A 105 -16.067 7.361 -5.863 1.00 0.00 N ATOM 1664 CA LEU A 105 -17.079 6.287 -5.658 1.00 0.00 C ATOM 1665 C LEU A 105 -18.482 6.868 -5.845 1.00 0.00 C ATOM 1666 O LEU A 105 -19.414 6.171 -6.195 1.00 0.00 O ATOM 1667 CB LEU A 105 -16.885 5.815 -4.212 1.00 0.00 C ATOM 1668 CG LEU A 105 -15.416 5.442 -3.957 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -14.824 4.745 -5.185 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -14.614 6.709 -3.652 1.00 0.00 C ATOM 0 H LEU A 105 -15.916 7.972 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 105 -16.964 5.466 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -17.191 6.602 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -17.524 4.954 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.366 4.761 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -13.783 4.487 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.390 3.838 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.877 5.414 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.572 6.445 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.674 7.390 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.024 7.195 -2.767 1.00 0.00 H new ATOM 1682 N ASP A 106 -18.637 8.145 -5.615 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.976 8.780 -5.777 1.00 0.00 C ATOM 1684 C ASP A 106 -19.881 10.284 -5.499 1.00 0.00 C ATOM 1685 O ASP A 106 -18.821 10.805 -5.217 1.00 0.00 O ATOM 1686 CB ASP A 106 -20.868 8.097 -4.739 1.00 0.00 C ATOM 1687 CG ASP A 106 -22.251 7.844 -5.342 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -22.356 7.849 -6.557 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -23.182 7.650 -4.577 1.00 0.00 O ATOM 0 H ASP A 106 -17.892 8.776 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.369 8.666 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.420 7.155 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.956 8.723 -3.851 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.980 10.985 -5.576 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.948 12.456 -5.315 1.00 0.00 C ATOM 1696 C LEU A 107 -21.906 12.814 -4.175 1.00 0.00 C ATOM 1697 O LEU A 107 -22.920 12.173 -3.979 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.407 13.101 -6.623 1.00 0.00 C ATOM 1699 CG LEU A 107 -22.827 12.634 -6.953 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -23.779 13.832 -6.919 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -22.846 12.008 -8.349 1.00 0.00 C ATOM 0 H LEU A 107 -21.898 10.605 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.958 12.800 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.382 14.187 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.727 12.832 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 107 -23.146 11.895 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -24.790 13.500 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -23.766 14.279 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -23.460 14.571 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -23.857 11.675 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -22.527 12.747 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -22.168 11.155 -8.374 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.594 13.834 -3.423 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.490 14.230 -2.297 1.00 0.00 C ATOM 1715 C VAL A 108 -22.753 15.738 -2.334 1.00 0.00 C ATOM 1716 O VAL A 108 -21.978 16.496 -2.879 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.724 13.849 -1.030 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.479 14.731 -0.892 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.628 14.049 0.188 1.00 0.00 C ATOM 0 H VAL A 108 -20.760 14.410 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.461 13.739 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.419 12.804 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.936 14.456 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.834 14.589 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.779 15.777 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.084 13.778 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.933 15.094 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.512 13.418 0.093 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.838 16.182 -1.759 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.129 17.645 -1.767 1.00 0.00 C ATOM 1731 C ASP A 109 -24.004 18.224 -0.353 1.00 0.00 C ATOM 1732 O ASP A 109 -24.787 17.911 0.519 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.567 17.769 -2.274 1.00 0.00 C ATOM 1734 CG ASP A 109 -26.450 16.726 -1.584 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -26.033 16.206 -0.564 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -27.530 16.466 -2.090 1.00 0.00 O ATOM 0 H ASP A 109 -24.531 15.600 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.429 18.196 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.948 18.771 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.595 17.626 -3.354 1.00 0.00 H new ATOM 1741 N ALA A 110 -23.029 19.077 -0.141 1.00 0.00 N ATOM 1742 CA ALA A 110 -22.822 19.713 1.202 1.00 0.00 C ATOM 1743 C ALA A 110 -23.372 18.843 2.339 1.00 0.00 C ATOM 1744 O ALA A 110 -24.038 19.329 3.232 1.00 0.00 O ATOM 1745 CB ALA A 110 -23.587 21.034 1.132 1.00 0.00 C ATOM 0 H ALA A 110 -22.357 19.364 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 110 -21.761 19.848 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -23.486 21.564 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -23.180 21.648 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -24.641 20.834 0.938 1.00 0.00 H new ATOM 1751 N VAL A 111 -23.105 17.567 2.320 1.00 0.00 N ATOM 1752 CA VAL A 111 -23.624 16.690 3.411 1.00 0.00 C ATOM 1753 C VAL A 111 -22.774 15.420 3.530 1.00 0.00 C ATOM 1754 O VAL A 111 -22.153 14.984 2.582 1.00 0.00 O ATOM 1755 CB VAL A 111 -25.056 16.349 2.999 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -25.595 15.234 3.897 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -25.938 17.591 3.151 1.00 0.00 C ATOM 0 H VAL A 111 -22.554 17.095 1.603 1.00 0.00 H new ATOM 0 HA VAL A 111 -23.587 17.180 4.384 1.00 0.00 H new ATOM 0 HB VAL A 111 -25.065 16.017 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -26.616 14.991 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -24.968 14.349 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -25.586 15.566 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -26.960 17.350 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -25.927 17.920 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -25.556 18.389 2.514 1.00 0.00 H new ATOM 1767 N ILE A 112 -22.746 14.826 4.694 1.00 0.00 N ATOM 1768 CA ILE A 112 -21.941 13.583 4.886 1.00 0.00 C ATOM 1769 C ILE A 112 -22.803 12.494 5.535 1.00 0.00 C ATOM 1770 O ILE A 112 -23.226 12.617 6.667 1.00 0.00 O ATOM 1771 CB ILE A 112 -20.800 13.990 5.821 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -19.806 14.876 5.063 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -20.083 12.739 6.332 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -18.989 14.020 4.093 1.00 0.00 C ATOM 0 H ILE A 112 -23.247 15.149 5.522 1.00 0.00 H new ATOM 0 HA ILE A 112 -21.571 13.179 3.944 1.00 0.00 H new ATOM 0 HB ILE A 112 -21.207 14.544 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -20.340 15.653 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -19.143 15.379 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -19.271 13.031 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -20.789 12.111 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -19.677 12.182 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -18.283 14.653 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -18.443 13.259 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -19.659 13.537 3.381 1.00 0.00 H new ATOM 1786 N LEU A 113 -23.067 11.430 4.827 1.00 0.00 N ATOM 1787 CA LEU A 113 -23.902 10.338 5.406 1.00 0.00 C ATOM 1788 C LEU A 113 -23.014 9.310 6.113 1.00 0.00 C ATOM 1789 O LEU A 113 -21.910 9.668 6.487 1.00 0.00 O ATOM 1790 CB LEU A 113 -24.613 9.702 4.211 1.00 0.00 C ATOM 1791 CG LEU A 113 -26.107 10.025 4.273 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -26.678 9.542 5.608 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -26.308 11.537 4.151 1.00 0.00 C ATOM 1794 OXT LEU A 113 -23.456 8.183 6.268 1.00 0.00 O ATOM 0 H LEU A 113 -22.741 11.269 3.874 1.00 0.00 H new ATOM 0 HA LEU A 113 -24.609 10.710 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -24.188 10.077 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -24.463 8.622 4.218 1.00 0.00 H new ATOM 0 HG LEU A 113 -26.621 9.523 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -27.743 9.772 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -26.535 8.465 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -26.163 10.045 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -27.372 11.767 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -25.794 12.040 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -25.901 11.883 3.201 1.00 0.00 H new TER 1806 LEU A 113