USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 21 LYS NZ :NH3+ 174:sc= -0.0132 (180deg=-0.0399) USER MOD Set 1.2: A 22 TYR OH : rot 14:sc= -2.42! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : A 11 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.047) USER MOD Single : A 13 SER OG : rot 44:sc= 0.482 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.92! C(o=-5.9!,f=-13!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00351 X(o=-0.0035,f=0.0036) USER MOD Single : A 31 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -81:sc= 1.04! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -2:sc= 0.786 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.19! C(o=-3.2!,f=-8.5!) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 84 GLN : amide:sc= -0.543 K(o=-0.54,f=-3!) USER MOD Single : A 85 ASN : amide:sc= -0.766 K(o=-0.77,f=-1.6) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -126:sc= -0.0424 USER MOD Single : A 95 SER OG : rot -57:sc= 0.816 USER MOD Single : A 104 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 2.370 -4.953 -4.422 1.00 0.00 N ATOM 32 CA LEU A 9 3.031 -6.239 -4.280 1.00 0.00 C ATOM 33 C LEU A 9 4.544 -6.045 -4.391 1.00 0.00 C ATOM 34 O LEU A 9 5.312 -6.722 -3.710 1.00 0.00 O ATOM 35 CB LEU A 9 2.465 -7.246 -5.283 1.00 0.00 C ATOM 36 CG LEU A 9 0.993 -7.623 -5.098 1.00 0.00 C ATOM 37 CD1 LEU A 9 0.633 -8.854 -5.931 1.00 0.00 C ATOM 38 CD2 LEU A 9 0.658 -7.814 -3.617 1.00 0.00 C ATOM 0 HA LEU A 9 2.835 -6.661 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.592 -6.840 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.062 -8.156 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 9 0.381 -6.798 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.418 -9.100 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.810 -8.644 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.251 -9.697 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.394 -8.081 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.277 -8.610 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.852 -6.887 -3.078 1.00 0.00 H new ATOM 50 N THR A 10 4.928 -5.117 -5.256 1.00 0.00 N ATOM 51 CA THR A 10 6.335 -4.825 -5.465 1.00 0.00 C ATOM 52 C THR A 10 7.041 -4.610 -4.125 1.00 0.00 C ATOM 53 O THR A 10 7.838 -5.444 -3.698 1.00 0.00 O ATOM 54 CB THR A 10 6.434 -3.620 -6.403 1.00 0.00 C ATOM 55 OG1 THR A 10 5.739 -4.035 -7.576 1.00 0.00 O ATOM 56 CG2 THR A 10 7.864 -3.370 -6.887 1.00 0.00 C ATOM 0 H THR A 10 4.288 -4.558 -5.820 1.00 0.00 H new ATOM 0 HA THR A 10 6.847 -5.665 -5.935 1.00 0.00 H new ATOM 0 HB THR A 10 6.063 -2.732 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.753 -3.312 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.878 -2.504 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.511 -3.182 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.224 -4.246 -7.427 1.00 0.00 H new ATOM 64 N GLN A 11 6.722 -3.487 -3.498 1.00 0.00 N ATOM 65 CA GLN A 11 7.315 -3.153 -2.214 1.00 0.00 C ATOM 66 C GLN A 11 6.993 -4.235 -1.182 1.00 0.00 C ATOM 67 O GLN A 11 7.803 -4.518 -0.300 1.00 0.00 O ATOM 68 CB GLN A 11 6.843 -1.779 -1.734 1.00 0.00 C ATOM 69 CG GLN A 11 7.965 -0.744 -1.844 1.00 0.00 C ATOM 70 CD GLN A 11 9.016 -0.957 -0.752 1.00 0.00 C ATOM 71 OE1 GLN A 11 8.785 -0.723 0.423 1.00 0.00 O ATOM 72 NE2 GLN A 11 10.181 -1.413 -1.205 1.00 0.00 N ATOM 0 H GLN A 11 6.061 -2.797 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 11 8.397 -3.107 -2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.987 -1.457 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.506 -1.847 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.435 -0.815 -2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.548 0.260 -1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.307 -1.588 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.948 -1.588 -0.555 1.00 0.00 H new ATOM 81 N LEU A 12 5.809 -4.812 -1.326 1.00 0.00 N ATOM 82 CA LEU A 12 5.370 -5.857 -0.418 1.00 0.00 C ATOM 83 C LEU A 12 6.507 -6.861 -0.214 1.00 0.00 C ATOM 84 O LEU A 12 6.737 -7.326 0.901 1.00 0.00 O ATOM 85 CB LEU A 12 4.071 -6.492 -0.919 1.00 0.00 C ATOM 86 CG LEU A 12 3.318 -7.363 0.089 1.00 0.00 C ATOM 87 CD1 LEU A 12 4.172 -8.552 0.532 1.00 0.00 C ATOM 88 CD2 LEU A 12 2.834 -6.531 1.278 1.00 0.00 C ATOM 0 H LEU A 12 5.140 -4.575 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 12 5.136 -5.437 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.405 -5.696 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.301 -7.100 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 12 2.433 -7.768 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.613 -9.155 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.425 -9.161 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.087 -8.189 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.302 -7.174 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.690 -6.079 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.164 -5.747 0.925 1.00 0.00 H new ATOM 100 N SER A 13 7.188 -7.165 -1.310 1.00 0.00 N ATOM 101 CA SER A 13 8.295 -8.105 -1.265 1.00 0.00 C ATOM 102 C SER A 13 9.101 -8.025 -2.564 1.00 0.00 C ATOM 103 O SER A 13 9.194 -9.005 -3.301 1.00 0.00 O ATOM 104 CB SER A 13 7.796 -9.533 -1.036 1.00 0.00 C ATOM 105 OG SER A 13 7.873 -9.911 0.335 1.00 0.00 O ATOM 0 H SER A 13 6.994 -6.777 -2.233 1.00 0.00 H new ATOM 0 HA SER A 13 8.939 -7.836 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.764 -9.616 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.387 -10.224 -1.637 1.00 0.00 H new ATOM 0 HG SER A 13 7.545 -9.177 0.896 1.00 0.00 H new ATOM 111 N SER A 14 9.662 -6.850 -2.804 1.00 0.00 N ATOM 112 CA SER A 14 10.457 -6.630 -4.000 1.00 0.00 C ATOM 113 C SER A 14 9.781 -7.287 -5.205 1.00 0.00 C ATOM 114 O SER A 14 10.450 -7.681 -6.158 1.00 0.00 O ATOM 115 CB SER A 14 11.876 -7.174 -3.826 1.00 0.00 C ATOM 116 OG SER A 14 12.861 -6.156 -3.982 1.00 0.00 O ATOM 0 H SER A 14 9.582 -6.039 -2.190 1.00 0.00 H new ATOM 0 HA SER A 14 10.527 -5.556 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.973 -7.624 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.053 -7.965 -4.555 1.00 0.00 H new ATOM 0 HG SER A 14 13.753 -6.543 -3.862 1.00 0.00 H new ATOM 122 N GLY A 15 8.462 -7.383 -5.123 1.00 0.00 N ATOM 123 CA GLY A 15 7.688 -7.986 -6.196 1.00 0.00 C ATOM 124 C GLY A 15 7.963 -9.487 -6.294 1.00 0.00 C ATOM 125 O GLY A 15 8.276 -9.996 -7.369 1.00 0.00 O ATOM 0 H GLY A 15 7.910 -7.054 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.625 -7.818 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.935 -7.505 -7.142 1.00 0.00 H new ATOM 129 N ASN A 16 7.836 -10.155 -5.156 1.00 0.00 N ATOM 130 CA ASN A 16 8.067 -11.589 -5.101 1.00 0.00 C ATOM 131 C ASN A 16 6.764 -12.324 -5.423 1.00 0.00 C ATOM 132 O ASN A 16 5.796 -12.239 -4.669 1.00 0.00 O ATOM 133 CB ASN A 16 8.520 -12.020 -3.704 1.00 0.00 C ATOM 134 CG ASN A 16 9.381 -13.283 -3.773 1.00 0.00 C ATOM 135 OD1 ASN A 16 9.265 -14.096 -4.675 1.00 0.00 O ATOM 136 ND2 ASN A 16 10.247 -13.401 -2.771 1.00 0.00 N ATOM 0 H ASN A 16 7.576 -9.730 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 16 8.845 -11.834 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.086 -11.214 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.649 -12.203 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.867 -14.210 -2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.292 -12.683 -2.048 1.00 0.00 H new ATOM 143 N PRO A 17 6.783 -13.047 -6.575 1.00 0.00 N ATOM 144 CA PRO A 17 5.615 -13.797 -7.007 1.00 0.00 C ATOM 145 C PRO A 17 5.439 -15.066 -6.171 1.00 0.00 C ATOM 146 O PRO A 17 4.393 -15.711 -6.229 1.00 0.00 O ATOM 147 CB PRO A 17 5.855 -14.084 -8.480 1.00 0.00 C ATOM 148 CG PRO A 17 7.346 -13.894 -8.705 1.00 0.00 C ATOM 149 CD PRO A 17 7.912 -13.171 -7.493 1.00 0.00 C ATOM 0 HA PRO A 17 4.685 -13.245 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.548 -15.098 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.276 -13.408 -9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.838 -14.858 -8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.525 -13.316 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.729 -13.734 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.310 -12.194 -7.765 1.00 0.00 H new ATOM 157 N VAL A 18 6.477 -15.387 -5.413 1.00 0.00 N ATOM 158 CA VAL A 18 6.450 -16.568 -4.567 1.00 0.00 C ATOM 159 C VAL A 18 5.110 -16.632 -3.831 1.00 0.00 C ATOM 160 O VAL A 18 4.526 -17.705 -3.690 1.00 0.00 O ATOM 161 CB VAL A 18 7.652 -16.560 -3.620 1.00 0.00 C ATOM 162 CG1 VAL A 18 7.636 -15.321 -2.723 1.00 0.00 C ATOM 163 CG2 VAL A 18 7.699 -17.841 -2.785 1.00 0.00 C ATOM 0 H VAL A 18 7.343 -14.849 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 18 6.533 -17.472 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 18 8.557 -16.521 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.501 -15.341 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.673 -14.424 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.723 -15.314 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.562 -17.811 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.788 -17.923 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.781 -18.704 -3.446 1.00 0.00 H new ATOM 173 N TYR A 19 4.661 -15.469 -3.382 1.00 0.00 N ATOM 174 CA TYR A 19 3.401 -15.379 -2.665 1.00 0.00 C ATOM 175 C TYR A 19 2.223 -15.718 -3.581 1.00 0.00 C ATOM 176 O TYR A 19 1.259 -16.348 -3.151 1.00 0.00 O ATOM 177 CB TYR A 19 3.277 -13.924 -2.211 1.00 0.00 C ATOM 178 CG TYR A 19 3.910 -13.641 -0.847 1.00 0.00 C ATOM 179 CD1 TYR A 19 3.378 -14.210 0.292 1.00 0.00 C ATOM 180 CD2 TYR A 19 5.013 -12.816 -0.757 1.00 0.00 C ATOM 181 CE1 TYR A 19 3.974 -13.943 1.575 1.00 0.00 C ATOM 182 CE2 TYR A 19 5.609 -12.550 0.527 1.00 0.00 C ATOM 183 CZ TYR A 19 5.060 -13.127 1.630 1.00 0.00 C ATOM 184 OH TYR A 19 5.623 -12.875 2.842 1.00 0.00 O ATOM 0 H TYR A 19 5.148 -14.581 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 19 3.384 -16.080 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.743 -13.280 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.221 -13.655 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.515 -14.855 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.429 -12.370 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.567 -14.381 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.472 -11.907 0.612 1.00 0.00 H new ATOM 0 HH TYR A 19 6.391 -12.277 2.728 1.00 0.00 H new ATOM 194 N GLU A 20 2.341 -15.285 -4.828 1.00 0.00 N ATOM 195 CA GLU A 20 1.298 -15.534 -5.808 1.00 0.00 C ATOM 196 C GLU A 20 0.950 -17.023 -5.846 1.00 0.00 C ATOM 197 O GLU A 20 -0.207 -17.389 -6.046 1.00 0.00 O ATOM 198 CB GLU A 20 1.717 -15.034 -7.192 1.00 0.00 C ATOM 199 CG GLU A 20 0.747 -13.967 -7.706 1.00 0.00 C ATOM 200 CD GLU A 20 -0.142 -14.525 -8.820 1.00 0.00 C ATOM 201 OE1 GLU A 20 -1.371 -14.574 -8.666 1.00 0.00 O ATOM 202 OE2 GLU A 20 0.488 -14.917 -9.875 1.00 0.00 O ATOM 0 H GLU A 20 3.143 -14.763 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 20 0.407 -14.980 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.725 -14.622 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.748 -15.870 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.126 -13.609 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.308 -13.110 -8.078 1.00 0.00 H new ATOM 210 N LYS A 21 1.972 -17.843 -5.650 1.00 0.00 N ATOM 211 CA LYS A 21 1.789 -19.284 -5.658 1.00 0.00 C ATOM 212 C LYS A 21 0.720 -19.664 -4.631 1.00 0.00 C ATOM 213 O LYS A 21 -0.116 -20.528 -4.890 1.00 0.00 O ATOM 214 CB LYS A 21 3.126 -19.996 -5.447 1.00 0.00 C ATOM 215 CG LYS A 21 3.086 -20.879 -4.198 1.00 0.00 C ATOM 216 CD LYS A 21 4.335 -21.757 -4.107 1.00 0.00 C ATOM 217 CE LYS A 21 4.090 -22.967 -3.203 1.00 0.00 C ATOM 218 NZ LYS A 21 5.293 -23.261 -2.393 1.00 0.00 N ATOM 0 H LYS A 21 2.931 -17.536 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 21 1.429 -19.616 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.359 -20.605 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.923 -19.259 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.011 -20.254 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.196 -21.508 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.620 -22.095 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.168 -21.171 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.241 -22.772 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.832 -23.835 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.078 -24.019 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.066 -23.566 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.582 -22.405 -1.877 1.00 0.00 H new ATOM 229 N TYR A 22 0.783 -18.999 -3.486 1.00 0.00 N ATOM 230 CA TYR A 22 -0.169 -19.256 -2.419 1.00 0.00 C ATOM 231 C TYR A 22 -1.523 -18.613 -2.725 1.00 0.00 C ATOM 232 O TYR A 22 -2.563 -19.256 -2.594 1.00 0.00 O ATOM 233 CB TYR A 22 0.419 -18.607 -1.165 1.00 0.00 C ATOM 234 CG TYR A 22 1.863 -19.017 -0.870 1.00 0.00 C ATOM 235 CD1 TYR A 22 2.262 -20.324 -1.063 1.00 0.00 C ATOM 236 CD2 TYR A 22 2.767 -18.081 -0.411 1.00 0.00 C ATOM 237 CE1 TYR A 22 3.621 -20.711 -0.785 1.00 0.00 C ATOM 238 CE2 TYR A 22 4.126 -18.467 -0.133 1.00 0.00 C ATOM 239 CZ TYR A 22 4.486 -19.763 -0.334 1.00 0.00 C ATOM 240 OH TYR A 22 5.770 -20.128 -0.072 1.00 0.00 O ATOM 0 H TYR A 22 1.478 -18.283 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.331 -20.327 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.375 -17.523 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.203 -18.866 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.555 -21.057 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.455 -17.058 -0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.946 -21.731 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.843 -17.744 0.227 1.00 0.00 H new ATOM 0 HH TYR A 22 5.946 -21.009 -0.463 1.00 0.00 H new ATOM 250 N TYR A 23 -1.466 -17.351 -3.126 1.00 0.00 N ATOM 251 CA TYR A 23 -2.675 -16.614 -3.451 1.00 0.00 C ATOM 252 C TYR A 23 -3.511 -17.363 -4.491 1.00 0.00 C ATOM 253 O TYR A 23 -4.721 -17.162 -4.582 1.00 0.00 O ATOM 254 CB TYR A 23 -2.210 -15.285 -4.050 1.00 0.00 C ATOM 255 CG TYR A 23 -3.352 -14.363 -4.480 1.00 0.00 C ATOM 256 CD1 TYR A 23 -4.408 -14.126 -3.623 1.00 0.00 C ATOM 257 CD2 TYR A 23 -3.327 -13.767 -5.725 1.00 0.00 C ATOM 258 CE1 TYR A 23 -5.484 -13.258 -4.027 1.00 0.00 C ATOM 259 CE2 TYR A 23 -4.403 -12.899 -6.129 1.00 0.00 C ATOM 260 CZ TYR A 23 -5.428 -12.687 -5.261 1.00 0.00 C ATOM 261 OH TYR A 23 -6.443 -11.868 -5.643 1.00 0.00 O ATOM 0 H TYR A 23 -0.601 -16.821 -3.233 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.293 -16.480 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.593 -14.765 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.577 -15.489 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.427 -14.592 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.501 -13.952 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.316 -13.065 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.396 -12.427 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.269 -11.531 -6.547 1.00 0.00 H new ATOM 271 N ARG A 24 -2.832 -18.212 -5.249 1.00 0.00 N ATOM 272 CA ARG A 24 -3.497 -18.993 -6.278 1.00 0.00 C ATOM 273 C ARG A 24 -3.952 -20.340 -5.713 1.00 0.00 C ATOM 274 O ARG A 24 -4.882 -20.953 -6.233 1.00 0.00 O ATOM 275 CB ARG A 24 -2.570 -19.235 -7.471 1.00 0.00 C ATOM 276 CG ARG A 24 -3.373 -19.553 -8.734 1.00 0.00 C ATOM 277 CD ARG A 24 -3.439 -18.339 -9.662 1.00 0.00 C ATOM 278 NE ARG A 24 -2.593 -18.567 -10.855 1.00 0.00 N ATOM 279 CZ ARG A 24 -2.551 -17.741 -11.922 1.00 0.00 C ATOM 280 NH1 ARG A 24 -3.309 -16.624 -11.954 1.00 0.00 N ATOM 281 NH2 ARG A 24 -1.758 -18.042 -12.933 1.00 0.00 N ATOM 0 H ARG A 24 -1.828 -18.376 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.364 -18.426 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.952 -18.353 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.893 -20.060 -7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.915 -20.392 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.382 -19.861 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.470 -18.159 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.103 -17.448 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.005 -19.400 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.919 -16.399 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.271 -16.005 -12.764 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.189 -18.888 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.714 -17.429 -13.747 1.00 0.00 H new ATOM 294 N GLN A 25 -3.275 -20.760 -4.654 1.00 0.00 N ATOM 295 CA GLN A 25 -3.598 -22.022 -4.012 1.00 0.00 C ATOM 296 C GLN A 25 -5.026 -21.989 -3.462 1.00 0.00 C ATOM 297 O GLN A 25 -5.741 -22.988 -3.521 1.00 0.00 O ATOM 298 CB GLN A 25 -2.593 -22.348 -2.906 1.00 0.00 C ATOM 299 CG GLN A 25 -1.361 -23.055 -3.476 1.00 0.00 C ATOM 300 CD GLN A 25 -0.973 -24.259 -2.615 1.00 0.00 C ATOM 301 OE1 GLN A 25 -1.140 -25.406 -2.996 1.00 0.00 O ATOM 302 NE2 GLN A 25 -0.447 -23.935 -1.438 1.00 0.00 N ATOM 0 H GLN A 25 -2.504 -20.248 -4.225 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.536 -22.813 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.290 -21.430 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.066 -22.981 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.564 -23.383 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.527 -22.355 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.335 -22.954 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.155 -24.667 -0.791 1.00 0.00 H new ATOM 311 N VAL A 26 -5.398 -20.829 -2.941 1.00 0.00 N ATOM 312 CA VAL A 26 -6.727 -20.652 -2.381 1.00 0.00 C ATOM 313 C VAL A 26 -7.730 -20.442 -3.517 1.00 0.00 C ATOM 314 O VAL A 26 -8.834 -20.983 -3.483 1.00 0.00 O ATOM 315 CB VAL A 26 -6.720 -19.504 -1.370 1.00 0.00 C ATOM 316 CG1 VAL A 26 -5.375 -19.419 -0.646 1.00 0.00 C ATOM 317 CG2 VAL A 26 -7.064 -18.175 -2.046 1.00 0.00 C ATOM 0 H VAL A 26 -4.802 -20.002 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.034 -21.545 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.489 -19.709 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.397 -18.595 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.188 -20.353 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.581 -19.249 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.052 -17.376 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.329 -17.961 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.056 -18.240 -2.493 1.00 0.00 H new ATOM 327 N GLU A 27 -7.310 -19.654 -4.496 1.00 0.00 N ATOM 328 CA GLU A 27 -8.158 -19.365 -5.640 1.00 0.00 C ATOM 329 C GLU A 27 -8.939 -20.616 -6.051 1.00 0.00 C ATOM 330 O GLU A 27 -8.385 -21.713 -6.088 1.00 0.00 O ATOM 331 CB GLU A 27 -7.335 -18.824 -6.811 1.00 0.00 C ATOM 332 CG GLU A 27 -8.214 -18.601 -8.043 1.00 0.00 C ATOM 333 CD GLU A 27 -7.667 -19.364 -9.251 1.00 0.00 C ATOM 334 OE1 GLU A 27 -8.059 -20.517 -9.485 1.00 0.00 O ATOM 335 OE2 GLU A 27 -6.806 -18.717 -9.961 1.00 0.00 O ATOM 0 H GLU A 27 -6.394 -19.207 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.871 -18.592 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.861 -17.886 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.536 -19.524 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.232 -18.928 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.262 -17.536 -8.272 1.00 0.00 H new ATOM 343 N ALA A 28 -10.213 -20.407 -6.350 1.00 0.00 N ATOM 344 CA ALA A 28 -11.075 -21.504 -6.756 1.00 0.00 C ATOM 345 C ALA A 28 -11.445 -21.336 -8.231 1.00 0.00 C ATOM 346 O ALA A 28 -11.389 -20.230 -8.767 1.00 0.00 O ATOM 347 CB ALA A 28 -12.305 -21.550 -5.848 1.00 0.00 C ATOM 0 H ALA A 28 -10.669 -19.495 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.558 -22.458 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.952 -22.373 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.990 -21.699 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.852 -20.610 -5.928 1.00 0.00 H new ATOM 353 N GLY A 29 -11.816 -22.449 -8.846 1.00 0.00 N ATOM 354 CA GLY A 29 -12.196 -22.439 -10.248 1.00 0.00 C ATOM 355 C GLY A 29 -10.975 -22.223 -11.145 1.00 0.00 C ATOM 356 O GLY A 29 -9.838 -22.349 -10.693 1.00 0.00 O ATOM 0 H GLY A 29 -11.862 -23.364 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.678 -23.382 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.926 -21.649 -10.425 1.00 0.00 H new ATOM 360 N ASN A 30 -11.252 -21.902 -12.400 1.00 0.00 N ATOM 361 CA ASN A 30 -10.191 -21.668 -13.365 1.00 0.00 C ATOM 362 C ASN A 30 -10.432 -20.330 -14.067 1.00 0.00 C ATOM 363 O ASN A 30 -10.500 -20.272 -15.294 1.00 0.00 O ATOM 364 CB ASN A 30 -10.164 -22.764 -14.432 1.00 0.00 C ATOM 365 CG ASN A 30 -8.731 -23.062 -14.876 1.00 0.00 C ATOM 366 OD1 ASN A 30 -8.021 -22.209 -15.384 1.00 0.00 O ATOM 367 ND2 ASN A 30 -8.346 -24.316 -14.658 1.00 0.00 N ATOM 0 H ASN A 30 -12.196 -21.798 -12.771 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.242 -21.665 -12.828 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.623 -23.671 -14.038 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.758 -22.454 -15.292 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.406 -24.614 -14.920 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.990 -24.980 -14.229 1.00 0.00 H new ATOM 374 N THR A 31 -10.554 -19.287 -13.259 1.00 0.00 N ATOM 375 CA THR A 31 -10.786 -17.954 -13.787 1.00 0.00 C ATOM 376 C THR A 31 -9.589 -17.048 -13.494 1.00 0.00 C ATOM 377 O THR A 31 -9.218 -16.216 -14.321 1.00 0.00 O ATOM 378 CB THR A 31 -12.099 -17.434 -13.198 1.00 0.00 C ATOM 379 OG1 THR A 31 -11.946 -17.615 -11.793 1.00 0.00 O ATOM 380 CG2 THR A 31 -13.294 -18.319 -13.560 1.00 0.00 C ATOM 0 H THR A 31 -10.496 -19.339 -12.242 1.00 0.00 H new ATOM 0 HA THR A 31 -10.883 -17.971 -14.873 1.00 0.00 H new ATOM 0 HB THR A 31 -12.278 -16.419 -13.552 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.792 -17.928 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.200 -17.906 -13.117 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.404 -18.356 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.130 -19.326 -13.177 1.00 0.00 H new ATOM 388 N GLY A 32 -9.016 -17.241 -12.315 1.00 0.00 N ATOM 389 CA GLY A 32 -7.867 -16.452 -11.903 1.00 0.00 C ATOM 390 C GLY A 32 -8.261 -15.426 -10.839 1.00 0.00 C ATOM 391 O GLY A 32 -7.668 -14.351 -10.759 1.00 0.00 O ATOM 0 H GLY A 32 -9.326 -17.932 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.092 -17.110 -11.510 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.443 -15.941 -12.767 1.00 0.00 H new ATOM 395 N ARG A 33 -9.258 -15.794 -10.047 1.00 0.00 N ATOM 396 CA ARG A 33 -9.737 -14.919 -8.991 1.00 0.00 C ATOM 397 C ARG A 33 -9.931 -15.709 -7.695 1.00 0.00 C ATOM 398 O ARG A 33 -10.342 -16.868 -7.725 1.00 0.00 O ATOM 399 CB ARG A 33 -11.061 -14.259 -9.381 1.00 0.00 C ATOM 400 CG ARG A 33 -12.142 -15.311 -9.639 1.00 0.00 C ATOM 401 CD ARG A 33 -13.539 -14.690 -9.564 1.00 0.00 C ATOM 402 NE ARG A 33 -14.569 -15.738 -9.747 1.00 0.00 N ATOM 403 CZ ARG A 33 -14.930 -16.241 -10.946 1.00 0.00 C ATOM 404 NH1 ARG A 33 -14.348 -15.797 -12.080 1.00 0.00 N ATOM 405 NH2 ARG A 33 -15.862 -17.175 -10.993 1.00 0.00 N ATOM 0 H ARG A 33 -9.747 -16.687 -10.116 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.988 -14.142 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.385 -13.587 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.919 -13.651 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.991 -15.759 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.057 -16.113 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.676 -14.198 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.647 -13.924 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.034 -16.102 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.629 -15.075 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.627 -16.183 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.297 -17.505 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.147 -17.566 -11.891 1.00 0.00 H new ATOM 418 N VAL A 34 -9.625 -15.050 -6.587 1.00 0.00 N ATOM 419 CA VAL A 34 -9.760 -15.675 -5.282 1.00 0.00 C ATOM 420 C VAL A 34 -11.166 -15.412 -4.738 1.00 0.00 C ATOM 421 O VAL A 34 -11.524 -14.268 -4.461 1.00 0.00 O ATOM 422 CB VAL A 34 -8.655 -15.180 -4.347 1.00 0.00 C ATOM 423 CG1 VAL A 34 -8.944 -15.578 -2.898 1.00 0.00 C ATOM 424 CG2 VAL A 34 -7.286 -15.697 -4.795 1.00 0.00 C ATOM 0 H VAL A 34 -9.284 -14.089 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.639 -16.755 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.635 -14.091 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.143 -15.214 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.891 -15.140 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.004 -16.664 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.518 -15.331 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.288 -16.787 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.075 -15.342 -5.804 1.00 0.00 H new ATOM 434 N LEU A 35 -11.925 -16.489 -4.602 1.00 0.00 N ATOM 435 CA LEU A 35 -13.283 -16.389 -4.096 1.00 0.00 C ATOM 436 C LEU A 35 -13.252 -15.833 -2.671 1.00 0.00 C ATOM 437 O LEU A 35 -14.289 -15.460 -2.123 1.00 0.00 O ATOM 438 CB LEU A 35 -14.000 -17.735 -4.216 1.00 0.00 C ATOM 439 CG LEU A 35 -15.139 -17.800 -5.236 1.00 0.00 C ATOM 440 CD1 LEU A 35 -15.615 -19.240 -5.436 1.00 0.00 C ATOM 441 CD2 LEU A 35 -16.285 -16.867 -4.838 1.00 0.00 C ATOM 0 H LEU A 35 -11.625 -17.436 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.864 -15.690 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.263 -18.495 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.400 -18.000 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.758 -17.451 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.425 -19.258 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.787 -19.850 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.973 -19.640 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.081 -16.932 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.672 -17.162 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.919 -15.842 -4.788 1.00 0.00 H new ATOM 453 N ALA A 36 -12.052 -15.796 -2.110 1.00 0.00 N ATOM 454 CA ALA A 36 -11.873 -15.293 -0.759 1.00 0.00 C ATOM 455 C ALA A 36 -12.143 -16.419 0.241 1.00 0.00 C ATOM 456 O ALA A 36 -11.304 -16.714 1.091 1.00 0.00 O ATOM 457 CB ALA A 36 -12.786 -14.086 -0.538 1.00 0.00 C ATOM 0 H ALA A 36 -11.194 -16.106 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.847 -14.958 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.651 -13.709 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.533 -13.303 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.825 -14.385 -0.679 1.00 0.00 H new ATOM 463 N LEU A 37 -13.317 -17.018 0.106 1.00 0.00 N ATOM 464 CA LEU A 37 -13.708 -18.105 0.986 1.00 0.00 C ATOM 465 C LEU A 37 -12.526 -19.059 1.168 1.00 0.00 C ATOM 466 O LEU A 37 -12.157 -19.388 2.294 1.00 0.00 O ATOM 467 CB LEU A 37 -14.975 -18.788 0.465 1.00 0.00 C ATOM 468 CG LEU A 37 -16.291 -18.057 0.738 1.00 0.00 C ATOM 469 CD1 LEU A 37 -16.618 -18.055 2.232 1.00 0.00 C ATOM 470 CD2 LEU A 37 -16.264 -16.643 0.155 1.00 0.00 C ATOM 0 H LEU A 37 -14.010 -16.771 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.964 -17.721 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.874 -18.924 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.036 -19.782 0.907 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.092 -18.598 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.558 -17.529 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.709 -19.082 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.820 -17.553 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.211 -16.146 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.450 -16.078 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.112 -16.697 -0.923 1.00 0.00 H new ATOM 482 N ASP A 38 -11.965 -19.476 0.043 1.00 0.00 N ATOM 483 CA ASP A 38 -10.832 -20.386 0.064 1.00 0.00 C ATOM 484 C ASP A 38 -9.682 -19.743 0.842 1.00 0.00 C ATOM 485 O ASP A 38 -8.962 -20.426 1.569 1.00 0.00 O ATOM 486 CB ASP A 38 -10.337 -20.681 -1.353 1.00 0.00 C ATOM 487 CG ASP A 38 -10.376 -22.156 -1.758 1.00 0.00 C ATOM 488 OD1 ASP A 38 -9.380 -22.882 -1.624 1.00 0.00 O ATOM 489 OD2 ASP A 38 -11.504 -22.560 -2.235 1.00 0.00 O ATOM 0 H ASP A 38 -12.274 -19.201 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.154 -21.315 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.940 -20.110 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.312 -20.321 -1.446 1.00 0.00 H new ATOM 495 N ALA A 39 -9.545 -18.438 0.664 1.00 0.00 N ATOM 496 CA ALA A 39 -8.495 -17.696 1.340 1.00 0.00 C ATOM 497 C ALA A 39 -8.517 -18.035 2.832 1.00 0.00 C ATOM 498 O ALA A 39 -7.508 -18.462 3.390 1.00 0.00 O ATOM 499 CB ALA A 39 -8.679 -16.199 1.080 1.00 0.00 C ATOM 0 H ALA A 39 -10.144 -17.875 0.061 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.516 -17.977 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.891 -15.642 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.627 -16.007 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.650 -15.881 1.459 1.00 0.00 H new ATOM 505 N ALA A 40 -9.679 -17.831 3.436 1.00 0.00 N ATOM 506 CA ALA A 40 -9.846 -18.110 4.852 1.00 0.00 C ATOM 507 C ALA A 40 -9.379 -19.538 5.144 1.00 0.00 C ATOM 508 O ALA A 40 -8.890 -19.824 6.236 1.00 0.00 O ATOM 509 CB ALA A 40 -11.305 -17.881 5.249 1.00 0.00 C ATOM 0 H ALA A 40 -10.514 -17.476 2.970 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.236 -17.434 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.430 -18.090 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.578 -16.845 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.948 -18.544 4.670 1.00 0.00 H new ATOM 515 N ALA A 41 -9.547 -20.397 4.149 1.00 0.00 N ATOM 516 CA ALA A 41 -9.150 -21.788 4.286 1.00 0.00 C ATOM 517 C ALA A 41 -7.628 -21.867 4.424 1.00 0.00 C ATOM 518 O ALA A 41 -7.116 -22.523 5.330 1.00 0.00 O ATOM 519 CB ALA A 41 -9.670 -22.588 3.090 1.00 0.00 C ATOM 0 H ALA A 41 -9.953 -20.156 3.245 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.586 -22.226 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.372 -23.631 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.757 -22.523 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.251 -22.180 2.170 1.00 0.00 H new ATOM 525 N PHE A 42 -6.947 -21.190 3.511 1.00 0.00 N ATOM 526 CA PHE A 42 -5.494 -21.176 3.519 1.00 0.00 C ATOM 527 C PHE A 42 -4.959 -20.470 4.766 1.00 0.00 C ATOM 528 O PHE A 42 -3.914 -20.845 5.296 1.00 0.00 O ATOM 529 CB PHE A 42 -5.047 -20.401 2.278 1.00 0.00 C ATOM 530 CG PHE A 42 -3.538 -20.164 2.202 1.00 0.00 C ATOM 531 CD1 PHE A 42 -2.713 -21.159 1.778 1.00 0.00 C ATOM 532 CD2 PHE A 42 -3.020 -18.957 2.558 1.00 0.00 C ATOM 533 CE1 PHE A 42 -1.312 -20.939 1.708 1.00 0.00 C ATOM 534 CE2 PHE A 42 -1.619 -18.737 2.488 1.00 0.00 C ATOM 535 CZ PHE A 42 -0.795 -19.733 2.065 1.00 0.00 C ATOM 0 H PHE A 42 -7.375 -20.647 2.761 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.113 -22.197 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.364 -20.946 1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.557 -19.438 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.124 -22.117 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.675 -18.166 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.657 -21.729 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.208 -17.779 2.771 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.271 -19.566 2.013 1.00 0.00 H new ATOM 545 N LEU A 43 -5.701 -19.461 5.199 1.00 0.00 N ATOM 546 CA LEU A 43 -5.314 -18.699 6.375 1.00 0.00 C ATOM 547 C LEU A 43 -5.419 -19.592 7.613 1.00 0.00 C ATOM 548 O LEU A 43 -4.494 -19.647 8.423 1.00 0.00 O ATOM 549 CB LEU A 43 -6.136 -17.413 6.473 1.00 0.00 C ATOM 550 CG LEU A 43 -5.818 -16.333 5.437 1.00 0.00 C ATOM 551 CD1 LEU A 43 -6.869 -15.221 5.463 1.00 0.00 C ATOM 552 CD2 LEU A 43 -4.402 -15.787 5.631 1.00 0.00 C ATOM 0 H LEU A 43 -6.567 -19.153 4.757 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.274 -18.381 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.191 -17.672 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.993 -16.989 7.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.855 -16.788 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.619 -14.466 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.849 -15.642 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.888 -14.762 6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.202 -15.021 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.313 -15.353 6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.681 -16.598 5.523 1.00 0.00 H new ATOM 564 N LYS A 44 -6.552 -20.269 7.721 1.00 0.00 N ATOM 565 CA LYS A 44 -6.790 -21.157 8.847 1.00 0.00 C ATOM 566 C LYS A 44 -5.634 -22.153 8.958 1.00 0.00 C ATOM 567 O LYS A 44 -5.410 -22.734 10.018 1.00 0.00 O ATOM 568 CB LYS A 44 -8.163 -21.819 8.726 1.00 0.00 C ATOM 569 CG LYS A 44 -9.282 -20.824 9.044 1.00 0.00 C ATOM 570 CD LYS A 44 -9.951 -21.159 10.379 1.00 0.00 C ATOM 571 CE LYS A 44 -11.294 -21.858 10.159 1.00 0.00 C ATOM 572 NZ LYS A 44 -11.167 -23.312 10.400 1.00 0.00 N ATOM 0 H LYS A 44 -7.316 -20.221 7.047 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.816 -20.593 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.295 -22.209 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.222 -22.668 9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.875 -19.813 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.025 -20.840 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.295 -21.801 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.102 -20.245 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.044 -21.437 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.640 -21.681 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.087 -23.771 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.466 -23.713 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.858 -23.476 11.379 1.00 0.00 H new ATOM 583 N LYS A 45 -4.930 -22.320 7.847 1.00 0.00 N ATOM 584 CA LYS A 45 -3.803 -23.236 7.806 1.00 0.00 C ATOM 585 C LYS A 45 -2.590 -22.575 8.463 1.00 0.00 C ATOM 586 O LYS A 45 -1.506 -23.155 8.498 1.00 0.00 O ATOM 587 CB LYS A 45 -3.547 -23.707 6.373 1.00 0.00 C ATOM 588 CG LYS A 45 -4.833 -24.231 5.730 1.00 0.00 C ATOM 589 CD LYS A 45 -4.724 -25.727 5.427 1.00 0.00 C ATOM 590 CE LYS A 45 -4.519 -25.970 3.931 1.00 0.00 C ATOM 591 NZ LYS A 45 -4.195 -27.391 3.676 1.00 0.00 N ATOM 0 H LYS A 45 -5.119 -21.836 6.969 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.023 -24.137 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.150 -22.882 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.791 -24.492 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.676 -24.052 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.033 -23.683 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.892 -26.155 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.628 -26.236 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.421 -25.693 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.714 -25.335 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.059 -27.538 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.322 -27.644 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.976 -27.991 4.011 1.00 0.00 H new ATOM 602 N SER A 46 -2.813 -21.370 8.966 1.00 0.00 N ATOM 603 CA SER A 46 -1.751 -20.623 9.619 1.00 0.00 C ATOM 604 C SER A 46 -1.483 -21.203 11.009 1.00 0.00 C ATOM 605 O SER A 46 -0.455 -21.842 11.231 1.00 0.00 O ATOM 606 CB SER A 46 -2.105 -19.138 9.723 1.00 0.00 C ATOM 607 OG SER A 46 -3.185 -18.908 10.624 1.00 0.00 O ATOM 0 H SER A 46 -3.714 -20.892 8.935 1.00 0.00 H new ATOM 0 HA SER A 46 -0.848 -20.712 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.230 -18.579 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.369 -18.758 8.736 1.00 0.00 H new ATOM 0 HG SER A 46 -4.034 -19.086 10.169 1.00 0.00 H new ATOM 613 N GLY A 47 -2.424 -20.960 11.909 1.00 0.00 N ATOM 614 CA GLY A 47 -2.302 -21.450 13.272 1.00 0.00 C ATOM 615 C GLY A 47 -3.094 -20.572 14.243 1.00 0.00 C ATOM 616 O GLY A 47 -3.551 -21.046 15.282 1.00 0.00 O ATOM 0 H GLY A 47 -3.275 -20.430 11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.664 -22.477 13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.252 -21.466 13.564 1.00 0.00 H new ATOM 620 N LEU A 48 -3.233 -19.308 13.870 1.00 0.00 N ATOM 621 CA LEU A 48 -3.962 -18.361 14.695 1.00 0.00 C ATOM 622 C LEU A 48 -5.436 -18.768 14.751 1.00 0.00 C ATOM 623 O LEU A 48 -5.903 -19.537 13.913 1.00 0.00 O ATOM 624 CB LEU A 48 -3.737 -16.932 14.197 1.00 0.00 C ATOM 625 CG LEU A 48 -2.461 -16.244 14.686 1.00 0.00 C ATOM 626 CD1 LEU A 48 -2.005 -15.168 13.699 1.00 0.00 C ATOM 627 CD2 LEU A 48 -2.647 -15.684 16.098 1.00 0.00 C ATOM 0 H LEU A 48 -2.853 -18.918 13.007 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.587 -18.380 15.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.723 -16.946 13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.591 -16.325 14.497 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.669 -16.991 14.737 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.096 -14.695 14.071 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.806 -15.625 12.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.788 -14.417 13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.725 -15.200 16.422 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.458 -14.956 16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.890 -16.497 16.783 1.00 0.00 H new ATOM 639 N PRO A 49 -6.146 -18.219 15.773 1.00 0.00 N ATOM 640 CA PRO A 49 -7.557 -18.517 15.949 1.00 0.00 C ATOM 641 C PRO A 49 -8.407 -17.775 14.916 1.00 0.00 C ATOM 642 O PRO A 49 -7.908 -16.901 14.209 1.00 0.00 O ATOM 643 CB PRO A 49 -7.870 -18.108 17.379 1.00 0.00 C ATOM 644 CG PRO A 49 -6.749 -17.171 17.800 1.00 0.00 C ATOM 645 CD PRO A 49 -5.625 -17.304 16.785 1.00 0.00 C ATOM 0 HA PRO A 49 -7.787 -19.571 15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.838 -17.611 17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.917 -18.979 18.033 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.107 -16.142 17.841 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.394 -17.425 18.799 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.367 -16.338 16.351 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.719 -17.698 17.246 1.00 0.00 H new ATOM 653 N ASP A 50 -9.676 -18.152 14.860 1.00 0.00 N ATOM 654 CA ASP A 50 -10.600 -17.534 13.925 1.00 0.00 C ATOM 655 C ASP A 50 -10.937 -16.121 14.406 1.00 0.00 C ATOM 656 O ASP A 50 -11.186 -15.229 13.597 1.00 0.00 O ATOM 657 CB ASP A 50 -11.905 -18.327 13.834 1.00 0.00 C ATOM 658 CG ASP A 50 -11.738 -19.812 13.509 1.00 0.00 C ATOM 659 OD1 ASP A 50 -10.613 -20.308 13.349 1.00 0.00 O ATOM 660 OD2 ASP A 50 -12.839 -20.478 13.419 1.00 0.00 O ATOM 0 H ASP A 50 -10.086 -18.878 15.447 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.123 -17.512 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.435 -18.235 14.782 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.536 -17.872 13.071 1.00 0.00 H new ATOM 666 N LEU A 51 -10.935 -15.963 15.721 1.00 0.00 N ATOM 667 CA LEU A 51 -11.238 -14.674 16.320 1.00 0.00 C ATOM 668 C LEU A 51 -10.230 -13.636 15.823 1.00 0.00 C ATOM 669 O LEU A 51 -10.600 -12.686 15.134 1.00 0.00 O ATOM 670 CB LEU A 51 -11.299 -14.792 17.844 1.00 0.00 C ATOM 671 CG LEU A 51 -10.631 -13.663 18.632 1.00 0.00 C ATOM 672 CD1 LEU A 51 -11.228 -12.305 18.256 1.00 0.00 C ATOM 673 CD2 LEU A 51 -10.706 -13.925 20.137 1.00 0.00 C ATOM 0 H LEU A 51 -10.728 -16.706 16.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.226 -14.333 16.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.346 -14.847 18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.835 -15.735 18.134 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.575 -13.637 18.363 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.736 -11.520 18.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.079 -12.124 17.192 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.295 -12.303 18.478 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.224 -13.108 20.673 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.750 -13.994 20.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.198 -14.861 20.369 1.00 0.00 H new ATOM 685 N ILE A 52 -8.976 -13.852 16.193 1.00 0.00 N ATOM 686 CA ILE A 52 -7.912 -12.947 15.793 1.00 0.00 C ATOM 687 C ILE A 52 -7.915 -12.804 14.270 1.00 0.00 C ATOM 688 O ILE A 52 -7.654 -11.723 13.744 1.00 0.00 O ATOM 689 CB ILE A 52 -6.571 -13.411 16.365 1.00 0.00 C ATOM 690 CG1 ILE A 52 -6.629 -13.508 17.891 1.00 0.00 C ATOM 691 CG2 ILE A 52 -5.430 -12.508 15.891 1.00 0.00 C ATOM 692 CD1 ILE A 52 -6.377 -12.144 18.536 1.00 0.00 C ATOM 0 H ILE A 52 -8.673 -14.640 16.765 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.082 -11.953 16.207 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.367 -14.413 15.986 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.604 -13.885 18.198 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.885 -14.223 18.242 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.488 -12.860 16.312 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.373 -12.534 14.803 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.615 -11.485 16.220 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.424 -12.240 19.621 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.391 -11.781 18.246 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.137 -11.437 18.202 1.00 0.00 H new ATOM 704 N LEU A 53 -8.212 -13.910 13.604 1.00 0.00 N ATOM 705 CA LEU A 53 -8.252 -13.922 12.152 1.00 0.00 C ATOM 706 C LEU A 53 -9.330 -12.949 11.668 1.00 0.00 C ATOM 707 O LEU A 53 -9.071 -12.109 10.808 1.00 0.00 O ATOM 708 CB LEU A 53 -8.435 -15.350 11.632 1.00 0.00 C ATOM 709 CG LEU A 53 -7.152 -16.097 11.261 1.00 0.00 C ATOM 710 CD1 LEU A 53 -7.456 -17.541 10.859 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.378 -15.350 10.173 1.00 0.00 C ATOM 0 H LEU A 53 -8.427 -14.805 14.044 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.303 -13.577 11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.962 -15.928 12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.079 -15.316 10.754 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.512 -16.136 12.142 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.527 -18.050 10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.933 -18.058 11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.125 -17.546 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.471 -15.902 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.999 -15.259 9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.112 -14.356 10.533 1.00 0.00 H new ATOM 723 N GLY A 54 -10.515 -13.097 12.241 1.00 0.00 N ATOM 724 CA GLY A 54 -11.633 -12.242 11.879 1.00 0.00 C ATOM 725 C GLY A 54 -11.182 -10.789 11.716 1.00 0.00 C ATOM 726 O GLY A 54 -11.575 -10.116 10.765 1.00 0.00 O ATOM 0 H GLY A 54 -10.726 -13.796 12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.079 -12.595 10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.405 -12.303 12.646 1.00 0.00 H new ATOM 730 N LYS A 55 -10.362 -10.348 12.659 1.00 0.00 N ATOM 731 CA LYS A 55 -9.852 -8.988 12.632 1.00 0.00 C ATOM 732 C LYS A 55 -9.055 -8.772 11.344 1.00 0.00 C ATOM 733 O LYS A 55 -9.191 -7.738 10.692 1.00 0.00 O ATOM 734 CB LYS A 55 -9.059 -8.687 13.905 1.00 0.00 C ATOM 735 CG LYS A 55 -9.995 -8.453 15.092 1.00 0.00 C ATOM 736 CD LYS A 55 -9.543 -7.247 15.918 1.00 0.00 C ATOM 737 CE LYS A 55 -10.735 -6.567 16.593 1.00 0.00 C ATOM 738 NZ LYS A 55 -10.460 -5.128 16.803 1.00 0.00 N ATOM 0 H LYS A 55 -10.038 -10.909 13.447 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.675 -8.273 12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.388 -9.518 14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.436 -7.806 13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.011 -8.291 14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.018 -9.342 15.722 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.827 -7.568 16.674 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.029 -6.533 15.274 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.626 -6.687 15.977 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.942 -7.047 17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.279 -4.681 17.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.622 -5.020 17.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.285 -4.670 15.886 1.00 0.00 H new ATOM 749 N ILE A 56 -8.240 -9.764 11.018 1.00 0.00 N ATOM 750 CA ILE A 56 -7.420 -9.695 9.820 1.00 0.00 C ATOM 751 C ILE A 56 -8.321 -9.480 8.602 1.00 0.00 C ATOM 752 O ILE A 56 -8.123 -8.536 7.838 1.00 0.00 O ATOM 753 CB ILE A 56 -6.525 -10.932 9.712 1.00 0.00 C ATOM 754 CG1 ILE A 56 -5.547 -11.006 10.886 1.00 0.00 C ATOM 755 CG2 ILE A 56 -5.804 -10.970 8.363 1.00 0.00 C ATOM 756 CD1 ILE A 56 -4.680 -12.263 10.800 1.00 0.00 C ATOM 0 H ILE A 56 -8.130 -10.620 11.562 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.743 -8.843 9.870 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.158 -11.817 9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.911 -10.121 10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.100 -11.005 11.825 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.175 -11.858 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.539 -10.999 7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.184 -10.080 8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.994 -12.290 11.647 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.318 -13.147 10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.110 -12.249 9.871 1.00 0.00 H new ATOM 768 N TRP A 57 -9.291 -10.370 8.459 1.00 0.00 N ATOM 769 CA TRP A 57 -10.223 -10.289 7.347 1.00 0.00 C ATOM 770 C TRP A 57 -10.866 -8.901 7.370 1.00 0.00 C ATOM 771 O TRP A 57 -10.805 -8.169 6.383 1.00 0.00 O ATOM 772 CB TRP A 57 -11.248 -11.424 7.407 1.00 0.00 C ATOM 773 CG TRP A 57 -12.069 -11.589 6.126 1.00 0.00 C ATOM 774 CD1 TRP A 57 -13.170 -10.919 5.760 1.00 0.00 C ATOM 775 CD2 TRP A 57 -11.807 -12.514 5.050 1.00 0.00 C ATOM 776 NE1 TRP A 57 -13.636 -11.344 4.532 1.00 0.00 N ATOM 777 CE2 TRP A 57 -12.780 -12.344 4.087 1.00 0.00 C ATOM 778 CE3 TRP A 57 -10.781 -13.464 4.896 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -12.824 -13.089 2.902 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -10.839 -14.200 3.707 1.00 0.00 C ATOM 781 CH2 TRP A 57 -11.812 -14.041 2.727 1.00 0.00 C ATOM 0 H TRP A 57 -9.452 -11.151 9.095 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.703 -10.416 6.397 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.728 -12.359 7.616 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.927 -11.243 8.241 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.635 -10.144 6.351 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.457 -10.989 4.042 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.009 -13.614 5.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.597 -12.938 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.074 -14.944 3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.788 -14.649 1.835 1.00 0.00 H new ATOM 792 N ASP A 58 -11.469 -8.581 8.506 1.00 0.00 N ATOM 793 CA ASP A 58 -12.122 -7.294 8.669 1.00 0.00 C ATOM 794 C ASP A 58 -11.212 -6.192 8.124 1.00 0.00 C ATOM 795 O ASP A 58 -11.644 -5.367 7.320 1.00 0.00 O ATOM 796 CB ASP A 58 -12.392 -6.997 10.146 1.00 0.00 C ATOM 797 CG ASP A 58 -13.538 -6.019 10.410 1.00 0.00 C ATOM 798 OD1 ASP A 58 -14.695 -6.425 10.593 1.00 0.00 O ATOM 799 OD2 ASP A 58 -13.200 -4.774 10.423 1.00 0.00 O ATOM 0 H ASP A 58 -11.519 -9.191 9.322 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.068 -7.325 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.611 -7.935 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.482 -6.596 10.593 1.00 0.00 H new ATOM 805 N LEU A 59 -9.970 -6.213 8.583 1.00 0.00 N ATOM 806 CA LEU A 59 -8.995 -5.225 8.152 1.00 0.00 C ATOM 807 C LEU A 59 -8.635 -5.477 6.686 1.00 0.00 C ATOM 808 O LEU A 59 -8.255 -4.553 5.969 1.00 0.00 O ATOM 809 CB LEU A 59 -7.787 -5.220 9.090 1.00 0.00 C ATOM 810 CG LEU A 59 -6.518 -4.561 8.545 1.00 0.00 C ATOM 811 CD1 LEU A 59 -5.780 -5.500 7.588 1.00 0.00 C ATOM 812 CD2 LEU A 59 -6.836 -3.213 7.893 1.00 0.00 C ATOM 0 H LEU A 59 -9.616 -6.899 9.250 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.417 -4.222 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.070 -4.711 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.553 -6.251 9.354 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.849 -4.364 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.882 -5.007 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.501 -6.412 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.431 -5.751 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.917 -2.766 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.533 -3.363 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.285 -2.549 8.631 1.00 0.00 H new ATOM 824 N ALA A 60 -8.768 -6.733 6.285 1.00 0.00 N ATOM 825 CA ALA A 60 -8.461 -7.118 4.918 1.00 0.00 C ATOM 826 C ALA A 60 -9.551 -6.585 3.985 1.00 0.00 C ATOM 827 O ALA A 60 -9.311 -5.661 3.209 1.00 0.00 O ATOM 828 CB ALA A 60 -8.318 -8.639 4.836 1.00 0.00 C ATOM 0 H ALA A 60 -9.084 -7.497 6.883 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.513 -6.683 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.088 -8.928 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.513 -8.965 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.252 -9.109 5.145 1.00 0.00 H new ATOM 834 N ASP A 61 -10.725 -7.189 4.092 1.00 0.00 N ATOM 835 CA ASP A 61 -11.852 -6.786 3.269 1.00 0.00 C ATOM 836 C ASP A 61 -11.847 -5.263 3.115 1.00 0.00 C ATOM 837 O ASP A 61 -11.795 -4.536 4.106 1.00 0.00 O ATOM 838 CB ASP A 61 -13.179 -7.192 3.913 1.00 0.00 C ATOM 839 CG ASP A 61 -14.424 -6.880 3.081 1.00 0.00 C ATOM 840 OD1 ASP A 61 -14.382 -6.884 1.842 1.00 0.00 O ATOM 841 OD2 ASP A 61 -15.486 -6.620 3.766 1.00 0.00 O ATOM 0 H ASP A 61 -10.920 -7.955 4.737 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.756 -7.279 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.155 -8.263 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.268 -6.688 4.875 1.00 0.00 H new ATOM 847 N THR A 62 -11.903 -4.826 1.866 1.00 0.00 N ATOM 848 CA THR A 62 -11.906 -3.404 1.570 1.00 0.00 C ATOM 849 C THR A 62 -12.440 -3.154 0.159 1.00 0.00 C ATOM 850 O THR A 62 -13.233 -2.238 -0.056 1.00 0.00 O ATOM 851 CB THR A 62 -10.487 -2.873 1.785 1.00 0.00 C ATOM 852 OG1 THR A 62 -10.353 -2.806 3.203 1.00 0.00 O ATOM 853 CG2 THR A 62 -10.329 -1.422 1.327 1.00 0.00 C ATOM 0 H THR A 62 -11.947 -5.432 1.047 1.00 0.00 H new ATOM 0 HA THR A 62 -12.576 -2.863 2.238 1.00 0.00 H new ATOM 0 HB THR A 62 -9.778 -3.502 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.195 -3.078 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.304 -1.095 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.557 -1.349 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.014 -0.787 1.889 1.00 0.00 H new ATOM 861 N ASP A 63 -11.985 -3.984 -0.768 1.00 0.00 N ATOM 862 CA ASP A 63 -12.408 -3.865 -2.153 1.00 0.00 C ATOM 863 C ASP A 63 -13.933 -3.758 -2.209 1.00 0.00 C ATOM 864 O ASP A 63 -14.474 -2.900 -2.904 1.00 0.00 O ATOM 865 CB ASP A 63 -11.989 -5.093 -2.964 1.00 0.00 C ATOM 866 CG ASP A 63 -12.120 -4.940 -4.481 1.00 0.00 C ATOM 867 OD1 ASP A 63 -11.432 -4.116 -5.102 1.00 0.00 O ATOM 868 OD2 ASP A 63 -12.982 -5.723 -5.035 1.00 0.00 O ATOM 0 H ASP A 63 -11.327 -4.742 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.937 -2.977 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.952 -5.331 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.592 -5.943 -2.646 1.00 0.00 H new ATOM 874 N GLY A 64 -14.584 -4.643 -1.468 1.00 0.00 N ATOM 875 CA GLY A 64 -16.036 -4.659 -1.424 1.00 0.00 C ATOM 876 C GLY A 64 -16.572 -6.087 -1.538 1.00 0.00 C ATOM 877 O GLY A 64 -17.225 -6.584 -0.621 1.00 0.00 O ATOM 0 H GLY A 64 -14.132 -5.354 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.380 -4.211 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.435 -4.051 -2.236 1.00 0.00 H new ATOM 881 N LYS A 65 -16.276 -6.708 -2.670 1.00 0.00 N ATOM 882 CA LYS A 65 -16.720 -8.070 -2.916 1.00 0.00 C ATOM 883 C LYS A 65 -15.842 -9.039 -2.122 1.00 0.00 C ATOM 884 O LYS A 65 -14.651 -8.793 -1.936 1.00 0.00 O ATOM 885 CB LYS A 65 -16.754 -8.360 -4.417 1.00 0.00 C ATOM 886 CG LYS A 65 -15.344 -8.344 -5.011 1.00 0.00 C ATOM 887 CD LYS A 65 -15.392 -8.242 -6.536 1.00 0.00 C ATOM 888 CE LYS A 65 -13.990 -8.045 -7.117 1.00 0.00 C ATOM 889 NZ LYS A 65 -13.892 -8.666 -8.457 1.00 0.00 N ATOM 0 H LYS A 65 -15.734 -6.293 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 65 -17.743 -8.206 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.215 -9.332 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.373 -7.617 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.784 -7.502 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.813 -9.250 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.838 -9.146 -6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.031 -7.409 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.765 -6.981 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.249 -8.486 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.934 -8.523 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.086 -9.685 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.586 -8.227 -9.095 1.00 0.00 H new ATOM 900 N GLY A 66 -16.464 -10.120 -1.674 1.00 0.00 N ATOM 901 CA GLY A 66 -15.754 -11.127 -0.904 1.00 0.00 C ATOM 902 C GLY A 66 -14.395 -11.441 -1.534 1.00 0.00 C ATOM 903 O GLY A 66 -13.382 -11.492 -0.839 1.00 0.00 O ATOM 0 H GLY A 66 -17.452 -10.320 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.613 -10.776 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.352 -12.037 -0.849 1.00 0.00 H new ATOM 907 N VAL A 67 -14.418 -11.644 -2.843 1.00 0.00 N ATOM 908 CA VAL A 67 -13.201 -11.952 -3.574 1.00 0.00 C ATOM 909 C VAL A 67 -12.053 -11.101 -3.026 1.00 0.00 C ATOM 910 O VAL A 67 -12.268 -9.975 -2.582 1.00 0.00 O ATOM 911 CB VAL A 67 -13.428 -11.755 -5.075 1.00 0.00 C ATOM 912 CG1 VAL A 67 -12.227 -12.254 -5.881 1.00 0.00 C ATOM 913 CG2 VAL A 67 -14.717 -12.442 -5.529 1.00 0.00 C ATOM 0 H VAL A 67 -15.261 -11.601 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.926 -12.998 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.535 -10.686 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.414 -12.103 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.336 -11.700 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.075 -13.316 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.855 -12.287 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.652 -13.510 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.564 -12.019 -4.989 1.00 0.00 H new ATOM 923 N LEU A 68 -10.859 -11.673 -3.077 1.00 0.00 N ATOM 924 CA LEU A 68 -9.677 -10.981 -2.591 1.00 0.00 C ATOM 925 C LEU A 68 -8.913 -10.391 -3.778 1.00 0.00 C ATOM 926 O LEU A 68 -9.277 -10.620 -4.931 1.00 0.00 O ATOM 927 CB LEU A 68 -8.833 -11.911 -1.718 1.00 0.00 C ATOM 928 CG LEU A 68 -9.523 -12.471 -0.472 1.00 0.00 C ATOM 929 CD1 LEU A 68 -8.609 -13.449 0.268 1.00 0.00 C ATOM 930 CD2 LEU A 68 -10.012 -11.343 0.438 1.00 0.00 C ATOM 0 H LEU A 68 -10.685 -12.607 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.961 -10.148 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.499 -12.748 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.941 -11.370 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.402 -13.031 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.124 -13.832 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.353 -14.278 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.698 -12.935 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.498 -11.769 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.163 -10.735 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.723 -10.720 -0.105 1.00 0.00 H new ATOM 942 N SER A 69 -7.868 -9.643 -3.456 1.00 0.00 N ATOM 943 CA SER A 69 -7.050 -9.018 -4.481 1.00 0.00 C ATOM 944 C SER A 69 -5.577 -9.369 -4.261 1.00 0.00 C ATOM 945 O SER A 69 -5.261 -10.436 -3.737 1.00 0.00 O ATOM 946 CB SER A 69 -7.238 -7.500 -4.487 1.00 0.00 C ATOM 947 OG SER A 69 -8.566 -7.125 -4.131 1.00 0.00 O ATOM 0 H SER A 69 -7.569 -9.456 -2.499 1.00 0.00 H new ATOM 0 HA SER A 69 -7.368 -9.400 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.534 -7.045 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.004 -7.110 -5.478 1.00 0.00 H new ATOM 0 HG SER A 69 -8.645 -6.148 -4.145 1.00 0.00 H new ATOM 953 N LYS A 70 -4.715 -8.451 -4.672 1.00 0.00 N ATOM 954 CA LYS A 70 -3.283 -8.650 -4.526 1.00 0.00 C ATOM 955 C LYS A 70 -2.858 -8.250 -3.112 1.00 0.00 C ATOM 956 O LYS A 70 -2.930 -9.057 -2.187 1.00 0.00 O ATOM 957 CB LYS A 70 -2.524 -7.909 -5.629 1.00 0.00 C ATOM 958 CG LYS A 70 -2.678 -8.621 -6.974 1.00 0.00 C ATOM 959 CD LYS A 70 -3.687 -7.895 -7.866 1.00 0.00 C ATOM 960 CE LYS A 70 -4.466 -8.887 -8.733 1.00 0.00 C ATOM 961 NZ LYS A 70 -4.545 -8.405 -10.130 1.00 0.00 N ATOM 0 H LYS A 70 -4.981 -7.567 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.030 -9.703 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.897 -6.888 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.468 -7.843 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.712 -8.670 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.004 -9.648 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.380 -7.325 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.166 -7.180 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.980 -9.862 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.470 -9.020 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.077 -9.090 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.029 -7.485 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.585 -8.301 -10.516 1.00 0.00 H new ATOM 972 N GLN A 71 -2.426 -7.003 -2.988 1.00 0.00 N ATOM 973 CA GLN A 71 -1.990 -6.487 -1.702 1.00 0.00 C ATOM 974 C GLN A 71 -2.910 -6.990 -0.588 1.00 0.00 C ATOM 975 O GLN A 71 -2.440 -7.520 0.417 1.00 0.00 O ATOM 976 CB GLN A 71 -1.931 -4.958 -1.717 1.00 0.00 C ATOM 977 CG GLN A 71 -0.489 -4.465 -1.852 1.00 0.00 C ATOM 978 CD GLN A 71 0.230 -4.499 -0.502 1.00 0.00 C ATOM 979 OE1 GLN A 71 0.404 -5.539 0.112 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.636 -3.307 -0.075 1.00 0.00 N ATOM 0 H GLN A 71 -2.369 -6.335 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.983 -6.855 -1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.528 -4.576 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.369 -4.565 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.046 -5.087 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.484 -3.449 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.458 -2.476 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.125 -3.224 0.816 1.00 0.00 H new ATOM 989 N GLU A 72 -4.204 -6.806 -0.805 1.00 0.00 N ATOM 990 CA GLU A 72 -5.194 -7.234 0.168 1.00 0.00 C ATOM 991 C GLU A 72 -4.798 -8.584 0.769 1.00 0.00 C ATOM 992 O GLU A 72 -4.466 -8.669 1.950 1.00 0.00 O ATOM 993 CB GLU A 72 -6.587 -7.301 -0.461 1.00 0.00 C ATOM 994 CG GLU A 72 -7.186 -5.902 -0.618 1.00 0.00 C ATOM 995 CD GLU A 72 -7.919 -5.473 0.655 1.00 0.00 C ATOM 996 OE1 GLU A 72 -7.386 -4.673 1.438 1.00 0.00 O ATOM 997 OE2 GLU A 72 -9.085 -6.000 0.816 1.00 0.00 O ATOM 0 H GLU A 72 -4.590 -6.366 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.229 -6.497 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.527 -7.786 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.241 -7.913 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.395 -5.187 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.877 -5.891 -1.461 1.00 0.00 H new ATOM 1005 N PHE A 73 -4.846 -9.607 -0.072 1.00 0.00 N ATOM 1006 CA PHE A 73 -4.497 -10.949 0.361 1.00 0.00 C ATOM 1007 C PHE A 73 -3.051 -11.006 0.859 1.00 0.00 C ATOM 1008 O PHE A 73 -2.767 -11.626 1.883 1.00 0.00 O ATOM 1009 CB PHE A 73 -4.640 -11.864 -0.857 1.00 0.00 C ATOM 1010 CG PHE A 73 -3.908 -13.201 -0.720 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -2.605 -13.305 -1.096 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -4.561 -14.286 -0.224 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -1.927 -14.545 -0.970 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -3.882 -15.526 -0.097 1.00 0.00 C ATOM 1015 CZ PHE A 73 -2.579 -15.630 -0.473 1.00 0.00 C ATOM 0 H PHE A 73 -5.121 -9.533 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.148 -11.256 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.698 -12.057 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.262 -11.343 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.086 -12.444 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.596 -14.204 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.892 -14.627 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.400 -16.387 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.063 -16.574 -0.377 1.00 0.00 H new ATOM 1025 N PHE A 74 -2.176 -10.349 0.113 1.00 0.00 N ATOM 1026 CA PHE A 74 -0.767 -10.317 0.466 1.00 0.00 C ATOM 1027 C PHE A 74 -0.560 -9.674 1.839 1.00 0.00 C ATOM 1028 O PHE A 74 0.482 -9.861 2.465 1.00 0.00 O ATOM 1029 CB PHE A 74 -0.060 -9.468 -0.593 1.00 0.00 C ATOM 1030 CG PHE A 74 0.693 -10.285 -1.645 1.00 0.00 C ATOM 1031 CD1 PHE A 74 0.003 -11.024 -2.554 1.00 0.00 C ATOM 1032 CD2 PHE A 74 2.053 -10.273 -1.670 1.00 0.00 C ATOM 1033 CE1 PHE A 74 0.702 -11.782 -3.530 1.00 0.00 C ATOM 1034 CE2 PHE A 74 2.752 -11.031 -2.646 1.00 0.00 C ATOM 1035 CZ PHE A 74 2.062 -11.770 -3.556 1.00 0.00 C ATOM 0 H PHE A 74 -2.415 -9.834 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.370 -11.331 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.798 -8.842 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.642 -8.798 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.077 -11.034 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.601 -9.687 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.154 -12.369 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.832 -11.021 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.593 -12.347 -4.299 1.00 0.00 H new ATOM 1045 N VAL A 75 -1.569 -8.929 2.266 1.00 0.00 N ATOM 1046 CA VAL A 75 -1.511 -8.258 3.553 1.00 0.00 C ATOM 1047 C VAL A 75 -1.950 -9.230 4.651 1.00 0.00 C ATOM 1048 O VAL A 75 -1.152 -9.601 5.510 1.00 0.00 O ATOM 1049 CB VAL A 75 -2.353 -6.980 3.515 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -2.972 -6.691 4.884 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -1.523 -5.792 3.027 1.00 0.00 C ATOM 0 H VAL A 75 -2.431 -8.775 1.743 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.489 -7.953 3.779 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.166 -7.135 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.565 -5.778 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.613 -7.523 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.180 -6.566 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.145 -4.897 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.680 -5.636 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.152 -5.996 2.023 1.00 0.00 H new ATOM 1061 N ALA A 76 -3.216 -9.614 4.586 1.00 0.00 N ATOM 1062 CA ALA A 76 -3.770 -10.536 5.563 1.00 0.00 C ATOM 1063 C ALA A 76 -2.768 -11.663 5.819 1.00 0.00 C ATOM 1064 O ALA A 76 -2.715 -12.214 6.918 1.00 0.00 O ATOM 1065 CB ALA A 76 -5.120 -11.057 5.066 1.00 0.00 C ATOM 0 H ALA A 76 -3.874 -9.303 3.872 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.946 -10.030 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.535 -11.749 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.805 -10.220 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.983 -11.574 4.116 1.00 0.00 H new ATOM 1071 N LEU A 77 -1.998 -11.973 4.787 1.00 0.00 N ATOM 1072 CA LEU A 77 -1.000 -13.025 4.886 1.00 0.00 C ATOM 1073 C LEU A 77 -0.005 -12.675 5.994 1.00 0.00 C ATOM 1074 O LEU A 77 -0.076 -13.223 7.093 1.00 0.00 O ATOM 1075 CB LEU A 77 -0.345 -13.272 3.526 1.00 0.00 C ATOM 1076 CG LEU A 77 -0.380 -14.715 3.017 1.00 0.00 C ATOM 1077 CD1 LEU A 77 0.522 -14.886 1.793 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -0.027 -15.700 4.133 1.00 0.00 C ATOM 0 H LEU A 77 -2.045 -11.514 3.877 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.468 -13.969 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.834 -12.636 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.696 -12.953 3.583 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.398 -14.941 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.479 -15.920 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.182 -14.226 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.549 -14.634 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.059 -16.718 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.975 -15.485 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.745 -15.600 4.947 1.00 0.00 H new ATOM 1090 N ARG A 78 0.900 -11.764 5.667 1.00 0.00 N ATOM 1091 CA ARG A 78 1.908 -11.335 6.621 1.00 0.00 C ATOM 1092 C ARG A 78 1.247 -10.876 7.922 1.00 0.00 C ATOM 1093 O ARG A 78 1.859 -10.933 8.987 1.00 0.00 O ATOM 1094 CB ARG A 78 2.751 -10.190 6.053 1.00 0.00 C ATOM 1095 CG ARG A 78 3.814 -10.718 5.088 1.00 0.00 C ATOM 1096 CD ARG A 78 4.645 -11.825 5.740 1.00 0.00 C ATOM 1097 NE ARG A 78 4.113 -13.151 5.354 1.00 0.00 N ATOM 1098 CZ ARG A 78 4.855 -14.278 5.301 1.00 0.00 C ATOM 1099 NH1 ARG A 78 6.169 -14.249 5.612 1.00 0.00 N ATOM 1100 NH2 ARG A 78 4.276 -15.409 4.943 1.00 0.00 N ATOM 0 H ARG A 78 0.956 -11.311 4.755 1.00 0.00 H new ATOM 0 HA ARG A 78 2.559 -12.186 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.105 -9.480 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.231 -9.648 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.334 -11.101 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.467 -9.902 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.687 -11.738 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.623 -11.717 6.824 1.00 0.00 H new ATOM 0 HE ARG A 78 3.124 -13.218 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.608 -13.371 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.722 -15.105 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.283 -15.422 4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.822 -16.269 4.898 1.00 0.00 H new ATOM 1113 N LEU A 79 0.006 -10.431 7.792 1.00 0.00 N ATOM 1114 CA LEU A 79 -0.745 -9.962 8.945 1.00 0.00 C ATOM 1115 C LEU A 79 -0.822 -11.080 9.987 1.00 0.00 C ATOM 1116 O LEU A 79 -0.590 -10.846 11.172 1.00 0.00 O ATOM 1117 CB LEU A 79 -2.112 -9.429 8.513 1.00 0.00 C ATOM 1118 CG LEU A 79 -2.633 -8.214 9.284 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -3.964 -7.728 8.707 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -2.732 -8.516 10.780 1.00 0.00 C ATOM 0 H LEU A 79 -0.498 -10.385 6.907 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.235 -9.121 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.061 -9.169 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.840 -10.234 8.608 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.916 -7.401 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.312 -6.864 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.827 -7.447 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.703 -8.527 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.105 -7.636 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.416 -9.350 10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.746 -8.777 11.164 1.00 0.00 H new ATOM 1132 N VAL A 80 -1.149 -12.271 9.507 1.00 0.00 N ATOM 1133 CA VAL A 80 -1.259 -13.426 10.382 1.00 0.00 C ATOM 1134 C VAL A 80 0.039 -13.585 11.175 1.00 0.00 C ATOM 1135 O VAL A 80 0.013 -13.963 12.346 1.00 0.00 O ATOM 1136 CB VAL A 80 -1.617 -14.669 9.565 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -1.762 -15.896 10.468 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -2.888 -14.439 8.744 1.00 0.00 C ATOM 0 H VAL A 80 -1.341 -12.461 8.523 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.064 -13.284 11.103 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.799 -14.859 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.017 -16.766 9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.821 -16.079 10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.551 -15.719 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.120 -15.338 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.717 -14.211 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.733 -13.604 8.060 1.00 0.00 H new ATOM 1148 N ALA A 81 1.144 -13.290 10.507 1.00 0.00 N ATOM 1149 CA ALA A 81 2.450 -13.395 11.135 1.00 0.00 C ATOM 1150 C ALA A 81 2.557 -12.360 12.256 1.00 0.00 C ATOM 1151 O ALA A 81 3.463 -12.428 13.084 1.00 0.00 O ATOM 1152 CB ALA A 81 3.541 -13.223 10.077 1.00 0.00 C ATOM 0 H ALA A 81 1.162 -12.978 9.536 1.00 0.00 H new ATOM 0 HA ALA A 81 2.582 -14.380 11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.521 -13.302 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.439 -14.000 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.442 -12.244 9.608 1.00 0.00 H new ATOM 1158 N CYS A 82 1.618 -11.425 12.246 1.00 0.00 N ATOM 1159 CA CYS A 82 1.595 -10.376 13.252 1.00 0.00 C ATOM 1160 C CYS A 82 1.074 -10.976 14.560 1.00 0.00 C ATOM 1161 O CYS A 82 1.817 -11.093 15.533 1.00 0.00 O ATOM 1162 CB CYS A 82 0.759 -9.177 12.801 1.00 0.00 C ATOM 1163 SG CYS A 82 1.505 -7.625 13.420 1.00 0.00 S ATOM 0 H CYS A 82 0.868 -11.372 11.557 1.00 0.00 H new ATOM 0 HA CYS A 82 2.604 -9.994 13.405 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.700 -9.153 11.713 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.261 -9.274 13.173 1.00 0.00 H new ATOM 0 HG CYS A 82 0.788 -6.613 13.030 1.00 0.00 H new ATOM 1169 N ALA A 83 -0.200 -11.340 14.540 1.00 0.00 N ATOM 1170 CA ALA A 83 -0.830 -11.925 15.711 1.00 0.00 C ATOM 1171 C ALA A 83 -0.029 -13.149 16.158 1.00 0.00 C ATOM 1172 O ALA A 83 -0.141 -13.585 17.303 1.00 0.00 O ATOM 1173 CB ALA A 83 -2.287 -12.266 15.392 1.00 0.00 C ATOM 0 H ALA A 83 -0.813 -11.241 13.731 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.836 -11.215 16.538 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.759 -12.705 16.271 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.820 -11.358 15.109 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.322 -12.978 14.568 1.00 0.00 H new ATOM 1179 N GLN A 84 0.762 -13.670 15.231 1.00 0.00 N ATOM 1180 CA GLN A 84 1.581 -14.836 15.514 1.00 0.00 C ATOM 1181 C GLN A 84 2.588 -14.520 16.622 1.00 0.00 C ATOM 1182 O GLN A 84 3.034 -15.417 17.335 1.00 0.00 O ATOM 1183 CB GLN A 84 2.291 -15.327 14.252 1.00 0.00 C ATOM 1184 CG GLN A 84 1.350 -16.167 13.385 1.00 0.00 C ATOM 1185 CD GLN A 84 1.789 -17.632 13.360 1.00 0.00 C ATOM 1186 OE1 GLN A 84 2.831 -18.004 13.874 1.00 0.00 O ATOM 1187 NE2 GLN A 84 0.938 -18.441 12.734 1.00 0.00 N ATOM 0 H GLN A 84 0.853 -13.305 14.283 1.00 0.00 H new ATOM 0 HA GLN A 84 0.929 -15.639 15.859 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.654 -14.474 13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.163 -15.920 14.528 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.333 -16.095 13.771 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.335 -15.771 12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.083 -18.064 12.325 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.141 -19.438 12.663 1.00 0.00 H new ATOM 1196 N ASN A 85 2.918 -13.241 16.731 1.00 0.00 N ATOM 1197 CA ASN A 85 3.864 -12.796 17.739 1.00 0.00 C ATOM 1198 C ASN A 85 3.104 -12.131 18.888 1.00 0.00 C ATOM 1199 O ASN A 85 3.684 -11.829 19.930 1.00 0.00 O ATOM 1200 CB ASN A 85 4.841 -11.769 17.163 1.00 0.00 C ATOM 1201 CG ASN A 85 6.090 -11.647 18.039 1.00 0.00 C ATOM 1202 OD1 ASN A 85 6.855 -12.582 18.207 1.00 0.00 O ATOM 1203 ND2 ASN A 85 6.251 -10.446 18.586 1.00 0.00 N ATOM 0 H ASN A 85 2.547 -12.499 16.137 1.00 0.00 H new ATOM 0 HA ASN A 85 4.419 -13.667 18.087 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.128 -12.062 16.153 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.350 -10.799 17.086 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.054 -10.263 19.188 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.572 -9.707 18.403 1.00 0.00 H new ATOM 1210 N GLY A 86 1.815 -11.922 18.660 1.00 0.00 N ATOM 1211 CA GLY A 86 0.969 -11.298 19.663 1.00 0.00 C ATOM 1212 C GLY A 86 0.802 -9.802 19.387 1.00 0.00 C ATOM 1213 O GLY A 86 0.323 -9.059 20.242 1.00 0.00 O ATOM 0 H GLY A 86 1.336 -12.174 17.795 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.008 -11.781 19.671 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.404 -11.443 20.652 1.00 0.00 H new ATOM 1217 N LEU A 87 1.208 -9.406 18.189 1.00 0.00 N ATOM 1218 CA LEU A 87 1.109 -8.012 17.790 1.00 0.00 C ATOM 1219 C LEU A 87 -0.337 -7.698 17.404 1.00 0.00 C ATOM 1220 O LEU A 87 -1.206 -8.565 17.479 1.00 0.00 O ATOM 1221 CB LEU A 87 2.122 -7.698 16.687 1.00 0.00 C ATOM 1222 CG LEU A 87 3.597 -7.775 17.089 1.00 0.00 C ATOM 1223 CD1 LEU A 87 4.505 -7.655 15.864 1.00 0.00 C ATOM 1224 CD2 LEU A 87 3.930 -6.729 18.154 1.00 0.00 C ATOM 0 H LEU A 87 1.606 -10.025 17.483 1.00 0.00 H new ATOM 0 HA LEU A 87 1.366 -7.358 18.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.955 -8.388 15.860 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.920 -6.695 16.311 1.00 0.00 H new ATOM 0 HG LEU A 87 3.780 -8.754 17.531 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.548 -7.713 16.177 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.289 -8.467 15.170 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.326 -6.699 15.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.984 -6.805 18.422 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.726 -5.733 17.762 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.317 -6.903 19.039 1.00 0.00 H new ATOM 1236 N GLU A 88 -0.551 -6.454 16.999 1.00 0.00 N ATOM 1237 CA GLU A 88 -1.878 -6.015 16.601 1.00 0.00 C ATOM 1238 C GLU A 88 -2.381 -6.848 15.420 1.00 0.00 C ATOM 1239 O GLU A 88 -1.638 -7.654 14.863 1.00 0.00 O ATOM 1240 CB GLU A 88 -1.882 -4.523 16.261 1.00 0.00 C ATOM 1241 CG GLU A 88 -3.121 -3.833 16.835 1.00 0.00 C ATOM 1242 CD GLU A 88 -2.756 -2.486 17.463 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -1.832 -2.415 18.287 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -3.472 -1.488 17.066 1.00 0.00 O ATOM 0 H GLU A 88 0.172 -5.737 16.938 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.556 -6.165 17.441 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.983 -4.053 16.659 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.857 -4.393 15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.857 -3.683 16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.585 -4.474 17.585 1.00 0.00 H new ATOM 1252 N VAL A 89 -3.640 -6.624 15.073 1.00 0.00 N ATOM 1253 CA VAL A 89 -4.251 -7.344 13.969 1.00 0.00 C ATOM 1254 C VAL A 89 -4.593 -6.358 12.850 1.00 0.00 C ATOM 1255 O VAL A 89 -4.953 -6.766 11.747 1.00 0.00 O ATOM 1256 CB VAL A 89 -5.467 -8.129 14.465 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -5.963 -9.105 13.396 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -5.150 -8.862 15.771 1.00 0.00 C ATOM 0 H VAL A 89 -4.253 -5.954 15.537 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.554 -8.075 13.558 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.267 -7.416 14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.828 -9.650 13.774 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.246 -8.551 12.501 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.169 -9.810 13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.031 -9.412 16.102 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.327 -9.558 15.607 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.866 -8.138 16.535 1.00 0.00 H new ATOM 1268 N SER A 90 -4.468 -5.079 13.173 1.00 0.00 N ATOM 1269 CA SER A 90 -4.759 -4.032 12.209 1.00 0.00 C ATOM 1270 C SER A 90 -3.473 -3.599 11.502 1.00 0.00 C ATOM 1271 O SER A 90 -2.383 -3.723 12.058 1.00 0.00 O ATOM 1272 CB SER A 90 -5.424 -2.830 12.885 1.00 0.00 C ATOM 1273 OG SER A 90 -6.614 -3.198 13.577 1.00 0.00 O ATOM 0 H SER A 90 -4.169 -4.744 14.089 1.00 0.00 H new ATOM 0 HA SER A 90 -5.455 -4.431 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.724 -2.374 13.585 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.660 -2.076 12.134 1.00 0.00 H new ATOM 0 HG SER A 90 -7.007 -2.404 13.996 1.00 0.00 H new ATOM 1279 N LEU A 91 -3.643 -3.099 10.287 1.00 0.00 N ATOM 1280 CA LEU A 91 -2.510 -2.647 9.498 1.00 0.00 C ATOM 1281 C LEU A 91 -1.823 -1.486 10.220 1.00 0.00 C ATOM 1282 O LEU A 91 -0.636 -1.237 10.013 1.00 0.00 O ATOM 1283 CB LEU A 91 -2.949 -2.311 8.072 1.00 0.00 C ATOM 1284 CG LEU A 91 -2.790 -3.429 7.040 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -3.530 -3.089 5.744 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -1.313 -3.740 6.792 1.00 0.00 C ATOM 0 H LEU A 91 -4.549 -2.997 9.830 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.772 -3.444 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.997 -2.013 8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.379 -1.446 7.732 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.246 -4.333 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.401 -3.900 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.591 -2.957 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.126 -2.167 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.228 -4.538 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.811 -2.847 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.846 -4.057 7.725 1.00 0.00 H new ATOM 1298 N SER A 92 -2.598 -0.806 11.052 1.00 0.00 N ATOM 1299 CA SER A 92 -2.079 0.323 11.805 1.00 0.00 C ATOM 1300 C SER A 92 -0.866 -0.112 12.630 1.00 0.00 C ATOM 1301 O SER A 92 -0.078 0.724 13.070 1.00 0.00 O ATOM 1302 CB SER A 92 -3.154 0.919 12.715 1.00 0.00 C ATOM 1303 OG SER A 92 -2.651 1.994 13.504 1.00 0.00 O ATOM 0 H SER A 92 -3.582 -1.015 11.221 1.00 0.00 H new ATOM 0 HA SER A 92 -1.772 1.094 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.987 1.274 12.108 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.546 0.141 13.370 1.00 0.00 H new ATOM 0 HG SER A 92 -3.368 2.348 14.070 1.00 0.00 H new ATOM 1309 N SER A 93 -0.754 -1.419 12.815 1.00 0.00 N ATOM 1310 CA SER A 93 0.349 -1.975 13.580 1.00 0.00 C ATOM 1311 C SER A 93 1.154 -2.943 12.710 1.00 0.00 C ATOM 1312 O SER A 93 1.742 -3.896 13.217 1.00 0.00 O ATOM 1313 CB SER A 93 -0.155 -2.686 14.838 1.00 0.00 C ATOM 1314 OG SER A 93 0.522 -2.240 16.010 1.00 0.00 O ATOM 0 H SER A 93 -1.409 -2.109 12.448 1.00 0.00 H new ATOM 0 HA SER A 93 0.995 -1.155 13.893 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.225 -2.512 14.949 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.017 -3.761 14.727 1.00 0.00 H new ATOM 0 HG SER A 93 0.894 -3.011 16.486 1.00 0.00 H new ATOM 1320 N LEU A 94 1.153 -2.665 11.414 1.00 0.00 N ATOM 1321 CA LEU A 94 1.875 -3.499 10.469 1.00 0.00 C ATOM 1322 C LEU A 94 3.091 -2.733 9.945 1.00 0.00 C ATOM 1323 O LEU A 94 3.348 -1.606 10.366 1.00 0.00 O ATOM 1324 CB LEU A 94 0.938 -3.993 9.366 1.00 0.00 C ATOM 1325 CG LEU A 94 0.248 -5.335 9.623 1.00 0.00 C ATOM 1326 CD1 LEU A 94 1.271 -6.467 9.726 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -0.651 -5.261 10.859 1.00 0.00 C ATOM 0 H LEU A 94 0.663 -1.874 10.997 1.00 0.00 H new ATOM 0 HA LEU A 94 2.251 -4.396 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.170 -3.237 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.508 -4.072 8.440 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.394 -5.558 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.754 -7.409 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.832 -6.536 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.957 -6.264 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.129 -6.227 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.050 -5.004 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.415 -4.499 10.708 1.00 0.00 H new ATOM 1339 N SER A 95 3.807 -3.375 9.034 1.00 0.00 N ATOM 1340 CA SER A 95 4.990 -2.768 8.448 1.00 0.00 C ATOM 1341 C SER A 95 6.130 -2.752 9.468 1.00 0.00 C ATOM 1342 O SER A 95 6.924 -1.813 9.503 1.00 0.00 O ATOM 1343 CB SER A 95 4.696 -1.348 7.958 1.00 0.00 C ATOM 1344 OG SER A 95 4.881 -0.380 8.987 1.00 0.00 O ATOM 0 H SER A 95 3.591 -4.310 8.687 1.00 0.00 H new ATOM 0 HA SER A 95 5.290 -3.365 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.348 -1.112 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.671 -1.296 7.591 1.00 0.00 H new ATOM 0 HG SER A 95 4.310 -0.602 9.752 1.00 0.00 H new ATOM 1350 N LEU A 96 6.175 -3.802 10.274 1.00 0.00 N ATOM 1351 CA LEU A 96 7.205 -3.921 11.292 1.00 0.00 C ATOM 1352 C LEU A 96 8.077 -5.141 10.990 1.00 0.00 C ATOM 1353 O LEU A 96 8.077 -5.646 9.868 1.00 0.00 O ATOM 1354 CB LEU A 96 6.578 -3.944 12.688 1.00 0.00 C ATOM 1355 CG LEU A 96 5.210 -3.272 12.820 1.00 0.00 C ATOM 1356 CD1 LEU A 96 4.454 -3.802 14.040 1.00 0.00 C ATOM 1357 CD2 LEU A 96 5.347 -1.749 12.848 1.00 0.00 C ATOM 0 H LEU A 96 5.515 -4.579 10.243 1.00 0.00 H new ATOM 0 HA LEU A 96 7.859 -3.049 11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.483 -4.983 13.005 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.266 -3.461 13.382 1.00 0.00 H new ATOM 0 HG LEU A 96 4.619 -3.526 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.485 -3.308 14.110 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.307 -4.877 13.938 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.031 -3.599 14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.360 -1.297 12.942 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.964 -1.455 13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.815 -1.409 11.924 1.00 0.00 H new ATOM 1369 N ALA A 97 8.799 -5.580 12.010 1.00 0.00 N ATOM 1370 CA ALA A 97 9.674 -6.731 11.868 1.00 0.00 C ATOM 1371 C ALA A 97 9.029 -7.943 12.543 1.00 0.00 C ATOM 1372 O ALA A 97 9.615 -8.542 13.443 1.00 0.00 O ATOM 1373 CB ALA A 97 11.050 -6.403 12.451 1.00 0.00 C ATOM 0 H ALA A 97 8.796 -5.159 12.939 1.00 0.00 H new ATOM 0 HA ALA A 97 9.816 -6.976 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.706 -7.267 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.478 -5.554 11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.948 -6.154 13.507 1.00 0.00 H new ATOM 1379 N VAL A 98 7.830 -8.269 12.081 1.00 0.00 N ATOM 1380 CA VAL A 98 7.099 -9.399 12.630 1.00 0.00 C ATOM 1381 C VAL A 98 7.818 -10.696 12.254 1.00 0.00 C ATOM 1382 O VAL A 98 8.564 -10.736 11.276 1.00 0.00 O ATOM 1383 CB VAL A 98 5.645 -9.361 12.155 1.00 0.00 C ATOM 1384 CG1 VAL A 98 4.996 -8.015 12.482 1.00 0.00 C ATOM 1385 CG2 VAL A 98 5.549 -9.668 10.659 1.00 0.00 C ATOM 0 H VAL A 98 7.347 -7.771 11.333 1.00 0.00 H new ATOM 0 HA VAL A 98 7.073 -9.346 13.718 1.00 0.00 H new ATOM 0 HB VAL A 98 5.097 -10.135 12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.963 -8.015 12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.015 -7.854 13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.546 -7.216 11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.505 -9.635 10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.119 -8.927 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.954 -10.661 10.465 1.00 0.00 H new ATOM 1395 N PRO A 99 7.561 -11.753 13.071 1.00 0.00 N ATOM 1396 CA PRO A 99 8.175 -13.048 12.834 1.00 0.00 C ATOM 1397 C PRO A 99 7.516 -13.759 11.651 1.00 0.00 C ATOM 1398 O PRO A 99 6.521 -13.279 11.109 1.00 0.00 O ATOM 1399 CB PRO A 99 8.017 -13.804 14.144 1.00 0.00 C ATOM 1400 CG PRO A 99 6.919 -13.085 14.910 1.00 0.00 C ATOM 1401 CD PRO A 99 6.684 -11.742 14.238 1.00 0.00 C ATOM 0 HA PRO A 99 9.227 -12.971 12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.750 -14.845 13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 99 8.950 -13.807 14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.004 -13.677 14.911 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.209 -12.945 15.951 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.640 -11.622 13.948 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.926 -10.917 14.907 1.00 0.00 H new ATOM 1409 N PRO A 100 8.112 -14.922 11.274 1.00 0.00 N ATOM 1410 CA PRO A 100 7.593 -15.704 10.165 1.00 0.00 C ATOM 1411 C PRO A 100 6.318 -16.448 10.567 1.00 0.00 C ATOM 1412 O PRO A 100 6.178 -16.872 11.713 1.00 0.00 O ATOM 1413 CB PRO A 100 8.728 -16.638 9.777 1.00 0.00 C ATOM 1414 CG PRO A 100 9.667 -16.671 10.971 1.00 0.00 C ATOM 1415 CD PRO A 100 9.291 -15.521 11.892 1.00 0.00 C ATOM 0 HA PRO A 100 7.296 -15.086 9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.352 -17.635 9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.242 -16.279 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.584 -17.623 11.496 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.703 -16.576 10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.073 -15.875 12.899 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.104 -14.799 11.977 1.00 0.00 H new ATOM 1423 N PRO A 101 5.396 -16.586 9.577 1.00 0.00 N ATOM 1424 CA PRO A 101 4.137 -17.272 9.816 1.00 0.00 C ATOM 1425 C PRO A 101 4.342 -18.786 9.885 1.00 0.00 C ATOM 1426 O PRO A 101 5.467 -19.258 10.046 1.00 0.00 O ATOM 1427 CB PRO A 101 3.234 -16.846 8.670 1.00 0.00 C ATOM 1428 CG PRO A 101 4.157 -16.313 7.587 1.00 0.00 C ATOM 1429 CD PRO A 101 5.528 -16.096 8.208 1.00 0.00 C ATOM 0 HA PRO A 101 3.691 -17.011 10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.646 -17.687 8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.528 -16.081 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.221 -17.018 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.770 -15.379 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.300 -16.641 7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.809 -15.043 8.190 1.00 0.00 H new ATOM 1437 N ARG A 102 3.237 -19.507 9.760 1.00 0.00 N ATOM 1438 CA ARG A 102 3.281 -20.958 9.806 1.00 0.00 C ATOM 1439 C ARG A 102 3.240 -21.536 8.390 1.00 0.00 C ATOM 1440 O ARG A 102 3.808 -22.596 8.131 1.00 0.00 O ATOM 1441 CB ARG A 102 2.108 -21.520 10.612 1.00 0.00 C ATOM 1442 CG ARG A 102 2.555 -22.697 11.482 1.00 0.00 C ATOM 1443 CD ARG A 102 1.957 -24.011 10.975 1.00 0.00 C ATOM 1444 NE ARG A 102 3.035 -24.990 10.715 1.00 0.00 N ATOM 1445 CZ ARG A 102 2.824 -26.301 10.471 1.00 0.00 C ATOM 1446 NH1 ARG A 102 1.571 -26.801 10.451 1.00 0.00 N ATOM 1447 NH2 ARG A 102 3.862 -27.087 10.253 1.00 0.00 N ATOM 0 H ARG A 102 2.306 -19.113 9.627 1.00 0.00 H new ATOM 0 HA ARG A 102 4.213 -21.245 10.293 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.687 -20.737 11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.318 -21.843 9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.643 -22.763 11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.248 -22.528 12.514 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.261 -24.411 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.388 -23.833 10.062 1.00 0.00 H new ATOM 0 HE ARG A 102 3.998 -24.654 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.774 -26.187 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.421 -27.793 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.806 -26.702 10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.720 -28.080 10.067 1.00 0.00 H new ATOM 1460 N PHE A 103 2.562 -20.813 7.510 1.00 0.00 N ATOM 1461 CA PHE A 103 2.439 -21.241 6.127 1.00 0.00 C ATOM 1462 C PHE A 103 3.751 -21.846 5.621 1.00 0.00 C ATOM 1463 O PHE A 103 4.808 -21.624 6.209 1.00 0.00 O ATOM 1464 CB PHE A 103 2.115 -19.995 5.300 1.00 0.00 C ATOM 1465 CG PHE A 103 1.025 -19.110 5.910 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -0.239 -19.590 6.054 1.00 0.00 C ATOM 1467 CD2 PHE A 103 1.321 -17.844 6.308 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -1.250 -18.770 6.620 1.00 0.00 C ATOM 1469 CE2 PHE A 103 0.310 -17.023 6.874 1.00 0.00 C ATOM 1470 CZ PHE A 103 -0.954 -17.503 7.018 1.00 0.00 C ATOM 0 H PHE A 103 2.093 -19.934 7.728 1.00 0.00 H new ATOM 0 HA PHE A 103 1.662 -22.001 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.023 -19.405 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.802 -20.304 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.474 -20.596 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.325 -17.463 6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.254 -19.152 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.545 -16.017 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.723 -16.879 7.448 1.00 0.00 H new ATOM 1480 N HIS A 104 3.639 -22.599 4.537 1.00 0.00 N ATOM 1481 CA HIS A 104 4.802 -23.237 3.946 1.00 0.00 C ATOM 1482 C HIS A 104 5.751 -22.170 3.398 1.00 0.00 C ATOM 1483 O HIS A 104 5.372 -21.007 3.264 1.00 0.00 O ATOM 1484 CB HIS A 104 4.382 -24.258 2.886 1.00 0.00 C ATOM 1485 CG HIS A 104 4.293 -25.675 3.399 1.00 0.00 C ATOM 1486 ND1 HIS A 104 3.161 -26.457 3.248 1.00 0.00 N ATOM 1487 CD2 HIS A 104 5.206 -26.443 4.060 1.00 0.00 C ATOM 1488 CE1 HIS A 104 3.393 -27.639 3.799 1.00 0.00 C ATOM 1489 NE2 HIS A 104 4.661 -27.628 4.302 1.00 0.00 N ATOM 0 H HIS A 104 2.760 -22.782 4.053 1.00 0.00 H new ATOM 0 HA HIS A 104 5.342 -23.795 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.413 -23.968 2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.095 -24.225 2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.204 -26.138 4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.700 -28.466 3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.115 -28.403 4.785 1.00 0.00 H new ATOM 1497 N ASP A 105 6.967 -22.602 3.096 1.00 0.00 N ATOM 1498 CA ASP A 105 7.973 -21.698 2.566 1.00 0.00 C ATOM 1499 C ASP A 105 7.691 -21.441 1.084 1.00 0.00 C ATOM 1500 O ASP A 105 7.252 -22.339 0.367 1.00 0.00 O ATOM 1501 CB ASP A 105 9.373 -22.302 2.683 1.00 0.00 C ATOM 1502 CG ASP A 105 10.388 -21.785 1.662 1.00 0.00 C ATOM 1503 OD1 ASP A 105 11.145 -20.841 1.936 1.00 0.00 O ATOM 1504 OD2 ASP A 105 10.384 -22.400 0.529 1.00 0.00 O ATOM 0 H ASP A 105 7.278 -23.567 3.209 1.00 0.00 H new ATOM 0 HA ASP A 105 7.931 -20.773 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.755 -22.104 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.295 -23.384 2.579 1.00 0.00 H new