USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 930 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 97 CYS SG : rot -18:sc= 0.157! USER MOD Set 1.2: A 99 TYR OH : rot -42:sc= 1.11 USER MOD Set 2.1: A 34 TYR OH : rot 83:sc= 0.774 USER MOD Set 2.2: A 53 HIS : no HE2:sc=-0.00995 K(o=0.76,f=-2.8) USER MOD Set 3.1: A 10 GLN : amide:sc= 0.437 K(o=0.99,f=-1) USER MOD Set 3.2: A 11 LYS NZ :NH3+ -174:sc= 0.555 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0766 K(o=-0.077,f=-4.1!) USER MOD Single : A 3 SER OG : rot 180:sc=0.000822 USER MOD Single : A 12 GLN : amide:sc= -3.37 K(o=-3.4,f=-9.3!) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.154 F(o=-0.75,f=-0.15) USER MOD Single : A 25 MET CE :methyl -164:sc= -1.04 (180deg=-2.01!) USER MOD Single : A 32 CYS SG : rot -135:sc= -1.63! USER MOD Single : A 33 GLN : amide:sc= -0.671 K(o=-0.67,f=-3) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-2.8!) USER MOD Single : A 81 THR OG1 : rot -85:sc= 0.415 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc=-0.000684 F(o=-0.76,f=-0.00068) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.17) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 1.984 -2.795 -2.344 1.00 0.00 N ATOM 21 CA ASN A 2 2.200 -3.906 -1.377 1.00 0.00 C ATOM 22 C ASN A 2 0.846 -4.580 -1.052 1.00 0.00 C ATOM 23 O ASN A 2 0.804 -5.712 -0.563 1.00 0.00 O ATOM 24 CB ASN A 2 2.898 -3.471 -0.045 1.00 0.00 C ATOM 25 CG ASN A 2 2.208 -2.319 0.711 1.00 0.00 C ATOM 26 OD1 ASN A 2 1.055 -1.966 0.457 1.00 0.00 O ATOM 27 ND2 ASN A 2 2.909 -1.742 1.675 1.00 0.00 N ATOM 0 HA ASN A 2 2.881 -4.604 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.955 -4.336 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.922 -3.174 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.496 -0.989 2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.862 -2.051 1.867 1.00 0.00 H new ATOM 34 N SER A 3 -0.253 -3.852 -1.321 1.00 0.00 N ATOM 35 CA SER A 3 -1.624 -4.304 -1.060 1.00 0.00 C ATOM 36 C SER A 3 -1.978 -5.555 -1.895 1.00 0.00 C ATOM 37 O SER A 3 -2.539 -6.515 -1.365 1.00 0.00 O ATOM 38 CB SER A 3 -2.589 -3.139 -1.357 1.00 0.00 C ATOM 39 OG SER A 3 -2.363 -2.611 -2.657 1.00 0.00 O ATOM 0 H SER A 3 -0.208 -2.920 -1.732 1.00 0.00 H new ATOM 0 HA SER A 3 -1.715 -4.596 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.619 -3.485 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.457 -2.353 -0.613 1.00 0.00 H new ATOM 0 HG SER A 3 -2.988 -1.874 -2.824 1.00 0.00 H new ATOM 45 N GLU A 4 -1.591 -5.539 -3.190 1.00 0.00 N ATOM 46 CA GLU A 4 -1.798 -6.677 -4.125 1.00 0.00 C ATOM 47 C GLU A 4 -0.861 -7.866 -3.825 1.00 0.00 C ATOM 48 O GLU A 4 -0.913 -8.889 -4.518 1.00 0.00 O ATOM 49 CB GLU A 4 -1.611 -6.236 -5.609 1.00 0.00 C ATOM 50 CG GLU A 4 -0.177 -5.808 -6.017 1.00 0.00 C ATOM 51 CD GLU A 4 0.202 -4.375 -5.600 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.693 -4.176 -4.476 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.005 -3.439 -6.397 1.00 0.00 O ATOM 0 H GLU A 4 -1.126 -4.739 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.826 -7.006 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.920 -7.059 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.287 -5.404 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.536 -6.503 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.078 -5.897 -7.099 1.00 0.00 H new ATOM 60 N ILE A 5 0.018 -7.702 -2.828 1.00 0.00 N ATOM 61 CA ILE A 5 0.905 -8.766 -2.334 1.00 0.00 C ATOM 62 C ILE A 5 0.249 -9.453 -1.128 1.00 0.00 C ATOM 63 O ILE A 5 0.412 -10.660 -0.902 1.00 0.00 O ATOM 64 CB ILE A 5 2.297 -8.180 -1.922 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.856 -7.238 -3.040 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.299 -9.297 -1.569 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.077 -7.887 -4.391 1.00 0.00 C ATOM 0 H ILE A 5 0.135 -6.817 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 5 1.063 -9.493 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 5 2.155 -7.582 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.166 -6.404 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.803 -6.820 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.254 -8.853 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.912 -9.883 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.441 -9.945 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.465 -7.147 -5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.794 -8.702 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.131 -8.279 -4.765 1.00 0.00 H new ATOM 79 N GLU A 6 -0.506 -8.656 -0.365 1.00 0.00 N ATOM 80 CA GLU A 6 -1.254 -9.128 0.805 1.00 0.00 C ATOM 81 C GLU A 6 -2.569 -9.809 0.383 1.00 0.00 C ATOM 82 O GLU A 6 -3.008 -10.741 1.047 1.00 0.00 O ATOM 83 CB GLU A 6 -1.542 -7.942 1.753 1.00 0.00 C ATOM 84 CG GLU A 6 -0.288 -7.199 2.245 1.00 0.00 C ATOM 85 CD GLU A 6 -0.633 -5.962 3.089 1.00 0.00 C ATOM 86 OE1 GLU A 6 -1.010 -4.923 2.499 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.573 -6.034 4.337 1.00 0.00 O ATOM 0 H GLU A 6 -0.616 -7.658 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.648 -9.867 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.191 -7.233 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.093 -8.310 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.325 -7.879 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.311 -6.894 1.387 1.00 0.00 H new ATOM 94 N LEU A 7 -3.183 -9.343 -0.734 1.00 0.00 N ATOM 95 CA LEU A 7 -4.479 -9.885 -1.217 1.00 0.00 C ATOM 96 C LEU A 7 -4.420 -11.422 -1.498 1.00 0.00 C ATOM 97 O LEU A 7 -5.306 -12.132 -1.022 1.00 0.00 O ATOM 98 CB LEU A 7 -5.008 -9.132 -2.476 1.00 0.00 C ATOM 99 CG LEU A 7 -5.448 -7.650 -2.280 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.975 -7.045 -3.603 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.488 -7.519 -1.143 1.00 0.00 C ATOM 0 H LEU A 7 -2.803 -8.596 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.183 -9.718 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.229 -9.156 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.858 -9.688 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.569 -7.078 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.275 -6.010 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.188 -7.078 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.834 -7.620 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.775 -6.473 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.369 -8.113 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.054 -7.878 -0.210 1.00 0.00 H new ATOM 113 N PRO A 8 -3.399 -11.966 -2.263 1.00 0.00 N ATOM 114 CA PRO A 8 -3.252 -13.426 -2.459 1.00 0.00 C ATOM 115 C PRO A 8 -3.197 -14.171 -1.126 1.00 0.00 C ATOM 116 O PRO A 8 -4.111 -14.932 -0.800 1.00 0.00 O ATOM 117 CB PRO A 8 -1.926 -13.591 -3.274 1.00 0.00 C ATOM 118 CG PRO A 8 -1.258 -12.256 -3.219 1.00 0.00 C ATOM 119 CD PRO A 8 -2.352 -11.236 -3.020 1.00 0.00 C ATOM 0 HA PRO A 8 -4.105 -13.854 -2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.293 -14.365 -2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.131 -13.885 -4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.538 -12.216 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.708 -12.060 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.992 -10.369 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.733 -10.870 -3.973 1.00 0.00 H new ATOM 127 N VAL A 9 -2.177 -13.857 -0.330 1.00 0.00 N ATOM 128 CA VAL A 9 -1.873 -14.600 0.901 1.00 0.00 C ATOM 129 C VAL A 9 -3.003 -14.487 1.964 1.00 0.00 C ATOM 130 O VAL A 9 -3.132 -15.359 2.822 1.00 0.00 O ATOM 131 CB VAL A 9 -0.506 -14.133 1.495 1.00 0.00 C ATOM 132 CG1 VAL A 9 0.629 -14.249 0.440 1.00 0.00 C ATOM 133 CG2 VAL A 9 -0.597 -12.699 2.073 1.00 0.00 C ATOM 0 H VAL A 9 -1.537 -13.084 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.803 -15.653 0.630 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.261 -14.799 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.570 -13.918 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.724 -15.287 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.391 -13.624 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.372 -12.408 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.884 -12.006 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.344 -12.673 2.867 1.00 0.00 H new ATOM 143 N GLN A 10 -3.830 -13.424 1.865 1.00 0.00 N ATOM 144 CA GLN A 10 -4.971 -13.189 2.775 1.00 0.00 C ATOM 145 C GLN A 10 -6.098 -14.188 2.458 1.00 0.00 C ATOM 146 O GLN A 10 -6.524 -14.948 3.333 1.00 0.00 O ATOM 147 CB GLN A 10 -5.459 -11.710 2.629 1.00 0.00 C ATOM 148 CG GLN A 10 -6.401 -11.164 3.737 1.00 0.00 C ATOM 149 CD GLN A 10 -7.880 -11.546 3.589 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.646 -10.836 2.955 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.284 -12.659 4.178 1.00 0.00 N ATOM 0 H GLN A 10 -3.725 -12.704 1.151 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.663 -13.344 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.580 -11.067 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.972 -11.616 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.045 -11.523 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.324 -10.077 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.619 -13.230 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.260 -12.947 4.110 1.00 0.00 H new ATOM 160 N LYS A 11 -6.537 -14.197 1.184 1.00 0.00 N ATOM 161 CA LYS A 11 -7.710 -14.989 0.735 1.00 0.00 C ATOM 162 C LYS A 11 -7.395 -16.496 0.748 1.00 0.00 C ATOM 163 O LYS A 11 -8.250 -17.312 1.083 1.00 0.00 O ATOM 164 CB LYS A 11 -8.153 -14.568 -0.689 1.00 0.00 C ATOM 165 CG LYS A 11 -8.312 -13.048 -0.904 1.00 0.00 C ATOM 166 CD LYS A 11 -9.325 -12.385 0.046 1.00 0.00 C ATOM 167 CE LYS A 11 -9.447 -10.871 -0.208 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.423 -10.228 0.707 1.00 0.00 N ATOM 0 H LYS A 11 -6.095 -13.661 0.438 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.523 -14.790 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.424 -14.946 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.103 -15.052 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.341 -12.570 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.622 -12.867 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.301 -12.854 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.020 -12.556 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.471 -10.403 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.752 -10.701 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.549 -9.232 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.336 -10.722 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.069 -10.278 1.683 1.00 0.00 H new ATOM 182 N GLN A 12 -6.151 -16.820 0.375 1.00 0.00 N ATOM 183 CA GLN A 12 -5.634 -18.197 0.339 1.00 0.00 C ATOM 184 C GLN A 12 -5.566 -18.796 1.746 1.00 0.00 C ATOM 185 O GLN A 12 -5.847 -19.975 1.926 1.00 0.00 O ATOM 186 CB GLN A 12 -4.231 -18.220 -0.288 1.00 0.00 C ATOM 187 CG GLN A 12 -4.195 -17.880 -1.787 1.00 0.00 C ATOM 188 CD GLN A 12 -2.782 -17.728 -2.332 1.00 0.00 C ATOM 189 OE1 GLN A 12 -2.552 -16.963 -3.264 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.825 -18.478 -1.781 1.00 0.00 N ATOM 0 H GLN A 12 -5.464 -16.124 0.085 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.317 -18.794 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.597 -17.513 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.798 -19.210 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.710 -18.663 -2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.745 -16.954 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.049 -19.104 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.869 -18.425 -2.134 1.00 0.00 H new ATOM 199 N LEU A 13 -5.163 -17.964 2.718 1.00 0.00 N ATOM 200 CA LEU A 13 -5.076 -18.353 4.135 1.00 0.00 C ATOM 201 C LEU A 13 -6.444 -18.835 4.634 1.00 0.00 C ATOM 202 O LEU A 13 -6.554 -19.924 5.213 1.00 0.00 O ATOM 203 CB LEU A 13 -4.612 -17.153 4.984 1.00 0.00 C ATOM 204 CG LEU A 13 -4.416 -17.438 6.504 1.00 0.00 C ATOM 205 CD1 LEU A 13 -3.123 -18.241 6.768 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.491 -16.137 7.312 1.00 0.00 C ATOM 0 H LEU A 13 -4.887 -16.998 2.543 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.353 -19.163 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.670 -16.786 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.341 -16.350 4.874 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.235 -18.070 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.019 -18.421 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.173 -19.195 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.263 -17.674 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.352 -16.357 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.709 -15.455 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.466 -15.672 7.163 1.00 0.00 H new ATOM 218 N GLU A 14 -7.472 -17.998 4.376 1.00 0.00 N ATOM 219 CA GLU A 14 -8.879 -18.308 4.707 1.00 0.00 C ATOM 220 C GLU A 14 -9.280 -19.625 4.042 1.00 0.00 C ATOM 221 O GLU A 14 -9.697 -20.557 4.705 1.00 0.00 O ATOM 222 CB GLU A 14 -9.834 -17.171 4.235 1.00 0.00 C ATOM 223 CG GLU A 14 -9.394 -15.747 4.624 1.00 0.00 C ATOM 224 CD GLU A 14 -9.035 -15.593 6.110 1.00 0.00 C ATOM 225 OE1 GLU A 14 -9.954 -15.442 6.942 1.00 0.00 O ATOM 226 OE2 GLU A 14 -7.833 -15.613 6.451 1.00 0.00 O ATOM 0 H GLU A 14 -7.349 -17.088 3.932 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.965 -18.396 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.927 -17.223 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.825 -17.355 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.531 -15.466 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.195 -15.050 4.379 1.00 0.00 H new ATOM 233 N ALA A 15 -9.035 -19.682 2.727 1.00 0.00 N ATOM 234 CA ALA A 15 -9.392 -20.810 1.856 1.00 0.00 C ATOM 235 C ALA A 15 -8.695 -22.124 2.286 1.00 0.00 C ATOM 236 O ALA A 15 -9.229 -23.213 2.078 1.00 0.00 O ATOM 237 CB ALA A 15 -9.026 -20.438 0.413 1.00 0.00 C ATOM 0 H ALA A 15 -8.571 -18.925 2.226 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.463 -20.996 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.283 -21.263 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.579 -19.547 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.956 -20.240 0.349 1.00 0.00 H new ATOM 243 N TYR A 16 -7.515 -21.989 2.919 1.00 0.00 N ATOM 244 CA TYR A 16 -6.682 -23.126 3.350 1.00 0.00 C ATOM 245 C TYR A 16 -7.335 -23.865 4.539 1.00 0.00 C ATOM 246 O TYR A 16 -7.322 -25.102 4.593 1.00 0.00 O ATOM 247 CB TYR A 16 -5.265 -22.607 3.706 1.00 0.00 C ATOM 248 CG TYR A 16 -4.225 -23.679 4.059 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.889 -24.686 3.146 1.00 0.00 C ATOM 250 CD2 TYR A 16 -3.569 -23.678 5.295 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.943 -25.644 3.451 1.00 0.00 C ATOM 252 CE2 TYR A 16 -2.621 -24.634 5.600 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.310 -25.614 4.677 1.00 0.00 C ATOM 254 OH TYR A 16 -1.366 -26.576 4.982 1.00 0.00 O ATOM 0 H TYR A 16 -7.110 -21.081 3.147 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.597 -23.848 2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.889 -22.028 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.352 -21.922 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.380 -24.714 2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.808 -22.917 6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.699 -26.413 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.123 -24.616 6.558 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.923 -26.872 4.159 1.00 0.00 H new ATOM 264 N ASN A 17 -7.925 -23.092 5.475 1.00 0.00 N ATOM 265 CA ASN A 17 -8.633 -23.649 6.653 1.00 0.00 C ATOM 266 C ASN A 17 -10.149 -23.792 6.378 1.00 0.00 C ATOM 267 O ASN A 17 -10.839 -24.521 7.089 1.00 0.00 O ATOM 268 CB ASN A 17 -8.387 -22.781 7.924 1.00 0.00 C ATOM 269 CG ASN A 17 -8.864 -21.326 7.794 1.00 0.00 C ATOM 270 OD1 ASN A 17 -7.962 -20.421 7.450 1.00 0.00 O flip ATOM 271 ND2 ASN A 17 -10.033 -21.019 8.034 1.00 0.00 N flip ATOM 0 H ASN A 17 -7.926 -22.073 5.439 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.225 -24.643 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.894 -23.244 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.321 -22.783 8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.706 -21.739 8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.328 -20.045 7.970 1.00 0.00 H new ATOM 278 N ALA A 18 -10.655 -23.093 5.345 1.00 0.00 N ATOM 279 CA ALA A 18 -12.095 -23.101 4.981 1.00 0.00 C ATOM 280 C ALA A 18 -12.414 -24.175 3.925 1.00 0.00 C ATOM 281 O ALA A 18 -13.583 -24.348 3.556 1.00 0.00 O ATOM 282 CB ALA A 18 -12.533 -21.709 4.493 1.00 0.00 C ATOM 0 H ALA A 18 -10.084 -22.506 4.737 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.660 -23.353 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.591 -21.732 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.372 -20.978 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.947 -21.430 3.617 1.00 0.00 H new ATOM 288 N ARG A 19 -11.355 -24.876 3.445 1.00 0.00 N ATOM 289 CA ARG A 19 -11.453 -26.028 2.515 1.00 0.00 C ATOM 290 C ARG A 19 -11.878 -25.599 1.085 1.00 0.00 C ATOM 291 O ARG A 19 -12.452 -26.394 0.327 1.00 0.00 O ATOM 292 CB ARG A 19 -12.381 -27.148 3.079 1.00 0.00 C ATOM 293 CG ARG A 19 -11.940 -27.742 4.439 1.00 0.00 C ATOM 294 CD ARG A 19 -10.612 -28.515 4.362 1.00 0.00 C ATOM 295 NE ARG A 19 -10.233 -29.076 5.680 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.709 -30.291 5.896 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.531 -31.140 4.896 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.371 -30.652 7.129 1.00 0.00 N ATOM 0 H ARG A 19 -10.393 -24.652 3.699 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.450 -26.446 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.388 -26.745 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.436 -27.955 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.842 -26.935 5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.720 -28.409 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.701 -29.321 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.823 -27.851 4.008 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.384 -28.484 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.794 -30.873 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.131 -32.061 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.511 -30.006 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.972 -31.575 7.299 1.00 0.00 H new ATOM 312 N ASP A 20 -11.535 -24.359 0.710 1.00 0.00 N ATOM 313 CA ASP A 20 -11.760 -23.827 -0.646 1.00 0.00 C ATOM 314 C ASP A 20 -10.446 -23.870 -1.457 1.00 0.00 C ATOM 315 O ASP A 20 -9.500 -23.165 -1.126 1.00 0.00 O ATOM 316 CB ASP A 20 -12.306 -22.371 -0.588 1.00 0.00 C ATOM 317 CG ASP A 20 -13.676 -22.257 0.108 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.719 -22.492 -0.549 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.719 -21.944 1.317 1.00 0.00 O ATOM 0 H ASP A 20 -11.091 -23.691 1.340 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.505 -24.451 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.587 -21.742 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.389 -21.982 -1.603 1.00 0.00 H new ATOM 324 N ILE A 21 -10.383 -24.716 -2.506 1.00 0.00 N ATOM 325 CA ILE A 21 -9.236 -24.740 -3.451 1.00 0.00 C ATOM 326 C ILE A 21 -9.332 -23.560 -4.441 1.00 0.00 C ATOM 327 O ILE A 21 -8.300 -23.030 -4.863 1.00 0.00 O ATOM 328 CB ILE A 21 -9.119 -26.127 -4.223 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.557 -27.241 -3.285 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.265 -26.039 -5.529 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.103 -27.042 -2.885 1.00 0.00 C ATOM 0 H ILE A 21 -11.112 -25.395 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.325 -24.631 -2.863 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.133 -26.388 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.168 -27.284 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.657 -28.205 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.226 -27.019 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.718 -25.321 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.254 -25.716 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.790 -27.858 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.478 -27.030 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.998 -26.095 -2.356 1.00 0.00 H new ATOM 343 N ASP A 22 -10.577 -23.138 -4.779 1.00 0.00 N ATOM 344 CA ASP A 22 -10.821 -22.059 -5.774 1.00 0.00 C ATOM 345 C ASP A 22 -10.077 -20.760 -5.407 1.00 0.00 C ATOM 346 O ASP A 22 -9.371 -20.208 -6.240 1.00 0.00 O ATOM 347 CB ASP A 22 -12.345 -21.770 -5.942 1.00 0.00 C ATOM 348 CG ASP A 22 -13.072 -22.816 -6.809 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.993 -22.728 -8.055 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.717 -23.730 -6.257 1.00 0.00 O ATOM 0 H ASP A 22 -11.429 -23.528 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.428 -22.419 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.812 -21.736 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.474 -20.785 -6.390 1.00 0.00 H new ATOM 355 N ALA A 23 -10.194 -20.320 -4.145 1.00 0.00 N ATOM 356 CA ALA A 23 -9.513 -19.093 -3.658 1.00 0.00 C ATOM 357 C ALA A 23 -8.049 -19.376 -3.292 1.00 0.00 C ATOM 358 O ALA A 23 -7.189 -18.494 -3.415 1.00 0.00 O ATOM 359 CB ALA A 23 -10.284 -18.487 -2.473 1.00 0.00 C ATOM 0 H ALA A 23 -10.754 -20.792 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.506 -18.362 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.773 -17.589 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.295 -18.230 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.332 -19.212 -1.661 1.00 0.00 H new ATOM 365 N PHE A 24 -7.773 -20.622 -2.863 1.00 0.00 N ATOM 366 CA PHE A 24 -6.408 -21.080 -2.540 1.00 0.00 C ATOM 367 C PHE A 24 -5.568 -21.286 -3.830 1.00 0.00 C ATOM 368 O PHE A 24 -4.380 -21.584 -3.746 1.00 0.00 O ATOM 369 CB PHE A 24 -6.463 -22.377 -1.678 1.00 0.00 C ATOM 370 CG PHE A 24 -5.110 -22.821 -1.114 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.428 -22.021 -0.195 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.499 -24.007 -1.526 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.194 -22.391 0.299 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.259 -24.371 -1.033 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.606 -23.565 -0.122 1.00 0.00 C ATOM 0 H PHE A 24 -8.488 -21.338 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.912 -20.306 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.154 -22.219 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.872 -23.185 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.875 -21.095 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.000 -24.647 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.688 -21.761 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.799 -25.291 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.638 -23.853 0.260 1.00 0.00 H new ATOM 385 N MET A 25 -6.205 -21.198 -5.019 1.00 0.00 N ATOM 386 CA MET A 25 -5.498 -21.239 -6.322 1.00 0.00 C ATOM 387 C MET A 25 -5.759 -19.973 -7.182 1.00 0.00 C ATOM 388 O MET A 25 -4.995 -19.685 -8.109 1.00 0.00 O ATOM 389 CB MET A 25 -5.855 -22.552 -7.079 1.00 0.00 C ATOM 390 CG MET A 25 -5.144 -22.746 -8.432 1.00 0.00 C ATOM 391 SD MET A 25 -3.374 -22.343 -8.391 1.00 0.00 S ATOM 392 CE MET A 25 -2.734 -23.374 -7.071 1.00 0.00 C ATOM 0 H MET A 25 -7.216 -21.097 -5.104 1.00 0.00 H new ATOM 0 HA MET A 25 -4.426 -21.239 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.615 -23.399 -6.436 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.932 -22.574 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.265 -23.781 -8.751 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.632 -22.123 -9.182 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.751 -23.012 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.411 -23.335 -6.218 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.651 -24.403 -7.421 1.00 0.00 H new ATOM 402 N ALA A 26 -6.792 -19.188 -6.826 1.00 0.00 N ATOM 403 CA ALA A 26 -7.246 -18.011 -7.627 1.00 0.00 C ATOM 404 C ALA A 26 -6.143 -16.956 -7.830 1.00 0.00 C ATOM 405 O ALA A 26 -6.081 -16.297 -8.869 1.00 0.00 O ATOM 406 CB ALA A 26 -8.470 -17.343 -6.971 1.00 0.00 C ATOM 0 H ALA A 26 -7.341 -19.341 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.513 -18.403 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.783 -16.489 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.287 -18.062 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.207 -17.005 -5.969 1.00 0.00 H new ATOM 412 N TRP A 27 -5.270 -16.829 -6.829 1.00 0.00 N ATOM 413 CA TRP A 27 -4.284 -15.744 -6.748 1.00 0.00 C ATOM 414 C TRP A 27 -2.854 -16.197 -7.111 1.00 0.00 C ATOM 415 O TRP A 27 -1.894 -15.437 -6.920 1.00 0.00 O ATOM 416 CB TRP A 27 -4.316 -15.191 -5.320 1.00 0.00 C ATOM 417 CG TRP A 27 -5.640 -14.591 -4.895 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.680 -15.226 -4.270 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.039 -13.217 -5.036 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.696 -14.340 -4.043 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.330 -13.103 -4.503 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.430 -12.079 -5.577 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.025 -11.895 -4.484 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -6.118 -10.880 -5.553 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.406 -10.796 -5.012 1.00 0.00 C ATOM 0 H TRP A 27 -5.225 -17.480 -6.045 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.550 -14.980 -7.478 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.060 -15.995 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.542 -14.430 -5.224 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.695 -16.271 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.587 -14.565 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.440 -12.136 -6.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.019 -11.829 -4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.654 -9.993 -5.959 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.920 -9.846 -5.012 1.00 0.00 H new ATOM 436 N TRP A 28 -2.713 -17.419 -7.636 1.00 0.00 N ATOM 437 CA TRP A 28 -1.402 -17.974 -8.037 1.00 0.00 C ATOM 438 C TRP A 28 -1.168 -17.744 -9.538 1.00 0.00 C ATOM 439 O TRP A 28 -2.123 -17.623 -10.314 1.00 0.00 O ATOM 440 CB TRP A 28 -1.325 -19.490 -7.715 1.00 0.00 C ATOM 441 CG TRP A 28 -1.464 -19.831 -6.244 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.537 -19.579 -5.439 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.507 -20.514 -5.410 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.302 -20.060 -4.187 1.00 0.00 N ATOM 445 CE2 TRP A 28 -1.074 -20.634 -4.137 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.764 -21.041 -5.620 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.421 -21.244 -3.070 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.419 -21.648 -4.563 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.822 -21.750 -3.302 1.00 0.00 C ATOM 0 H TRP A 28 -3.495 -18.053 -7.797 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.625 -17.461 -7.471 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.109 -20.006 -8.270 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.372 -19.877 -8.076 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.439 -19.073 -5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.952 -19.998 -3.404 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.231 -20.977 -6.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.882 -21.313 -2.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.410 -22.051 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.355 -22.238 -2.500 1.00 0.00 H new ATOM 460 N ALA A 29 0.113 -17.668 -9.924 1.00 0.00 N ATOM 461 CA ALA A 29 0.532 -17.593 -11.340 1.00 0.00 C ATOM 462 C ALA A 29 0.508 -18.995 -11.969 1.00 0.00 C ATOM 463 O ALA A 29 0.714 -19.986 -11.272 1.00 0.00 O ATOM 464 CB ALA A 29 1.937 -16.972 -11.456 1.00 0.00 C ATOM 0 H ALA A 29 0.893 -17.656 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.167 -16.954 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.229 -16.925 -12.505 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.926 -15.966 -11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.652 -17.585 -10.908 1.00 0.00 H new ATOM 470 N ASP A 30 0.271 -19.062 -13.291 1.00 0.00 N ATOM 471 CA ASP A 30 0.149 -20.342 -14.038 1.00 0.00 C ATOM 472 C ASP A 30 1.445 -21.183 -13.984 1.00 0.00 C ATOM 473 O ASP A 30 1.393 -22.415 -13.991 1.00 0.00 O ATOM 474 CB ASP A 30 -0.259 -20.057 -15.509 1.00 0.00 C ATOM 475 CG ASP A 30 -0.319 -21.319 -16.402 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.243 -22.142 -16.227 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.554 -21.491 -17.284 1.00 0.00 O ATOM 0 H ASP A 30 0.158 -18.235 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.628 -20.933 -13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.235 -19.572 -15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.451 -19.352 -15.942 1.00 0.00 H new ATOM 482 N ASP A 31 2.595 -20.504 -13.904 1.00 0.00 N ATOM 483 CA ASP A 31 3.925 -21.151 -13.895 1.00 0.00 C ATOM 484 C ASP A 31 4.516 -21.195 -12.474 1.00 0.00 C ATOM 485 O ASP A 31 5.734 -21.366 -12.316 1.00 0.00 O ATOM 486 CB ASP A 31 4.875 -20.386 -14.853 1.00 0.00 C ATOM 487 CG ASP A 31 4.369 -20.357 -16.305 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.394 -21.415 -16.976 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.941 -19.282 -16.779 1.00 0.00 O ATOM 0 H ASP A 31 2.636 -19.487 -13.843 1.00 0.00 H new ATOM 0 HA ASP A 31 3.814 -22.180 -14.236 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.996 -19.363 -14.496 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.860 -20.851 -14.827 1.00 0.00 H new ATOM 494 N CYS A 32 3.644 -21.052 -11.446 1.00 0.00 N ATOM 495 CA CYS A 32 4.076 -20.946 -10.043 1.00 0.00 C ATOM 496 C CYS A 32 4.847 -22.189 -9.577 1.00 0.00 C ATOM 497 O CYS A 32 4.320 -23.302 -9.580 1.00 0.00 O ATOM 498 CB CYS A 32 2.892 -20.702 -9.095 1.00 0.00 C ATOM 499 SG CYS A 32 3.384 -20.482 -7.365 1.00 0.00 S ATOM 0 H CYS A 32 2.633 -21.008 -11.571 1.00 0.00 H new ATOM 0 HA CYS A 32 4.745 -20.086 -10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.349 -19.817 -9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.202 -21.543 -9.164 1.00 0.00 H new ATOM 0 HG CYS A 32 2.599 -21.179 -6.599 1.00 0.00 H new ATOM 505 N GLN A 33 6.101 -21.971 -9.181 1.00 0.00 N ATOM 506 CA GLN A 33 6.969 -23.015 -8.630 1.00 0.00 C ATOM 507 C GLN A 33 6.635 -23.217 -7.145 1.00 0.00 C ATOM 508 O GLN A 33 6.295 -22.259 -6.451 1.00 0.00 O ATOM 509 CB GLN A 33 8.443 -22.599 -8.838 1.00 0.00 C ATOM 510 CG GLN A 33 8.812 -22.411 -10.323 1.00 0.00 C ATOM 511 CD GLN A 33 8.959 -23.727 -11.094 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.384 -24.739 -10.540 1.00 0.00 O ATOM 513 NE2 GLN A 33 8.553 -23.741 -12.359 1.00 0.00 N ATOM 0 H GLN A 33 6.548 -21.056 -9.234 1.00 0.00 H new ATOM 0 HA GLN A 33 6.808 -23.965 -9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.631 -21.669 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.094 -23.356 -8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.046 -21.802 -10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.748 -21.856 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.205 -22.886 -12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.589 -24.607 -12.897 1.00 0.00 H new ATOM 522 N TYR A 34 6.709 -24.466 -6.676 1.00 0.00 N ATOM 523 CA TYR A 34 6.314 -24.840 -5.309 1.00 0.00 C ATOM 524 C TYR A 34 7.382 -25.759 -4.710 1.00 0.00 C ATOM 525 O TYR A 34 7.592 -26.880 -5.198 1.00 0.00 O ATOM 526 CB TYR A 34 4.926 -25.528 -5.315 1.00 0.00 C ATOM 527 CG TYR A 34 4.327 -25.784 -3.919 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.662 -24.765 -3.223 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.424 -27.037 -3.300 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.122 -24.989 -1.970 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.882 -27.263 -2.048 1.00 0.00 C ATOM 532 CZ TYR A 34 3.235 -26.239 -1.387 1.00 0.00 C ATOM 533 OH TYR A 34 2.681 -26.468 -0.142 1.00 0.00 O ATOM 0 H TYR A 34 7.045 -25.251 -7.233 1.00 0.00 H new ATOM 0 HA TYR A 34 6.234 -23.943 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.232 -24.910 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.010 -26.480 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.570 -23.788 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.932 -27.842 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.614 -24.191 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.965 -28.237 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 34 1.726 -26.666 -0.240 1.00 0.00 H new ATOM 543 N TYR A 35 8.070 -25.255 -3.676 1.00 0.00 N ATOM 544 CA TYR A 35 9.141 -25.973 -2.978 1.00 0.00 C ATOM 545 C TYR A 35 8.773 -26.255 -1.521 1.00 0.00 C ATOM 546 O TYR A 35 7.949 -25.564 -0.913 1.00 0.00 O ATOM 547 CB TYR A 35 10.469 -25.177 -3.015 1.00 0.00 C ATOM 548 CG TYR A 35 11.043 -24.952 -4.420 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.453 -24.045 -5.304 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.171 -25.647 -4.864 1.00 0.00 C ATOM 551 CE1 TYR A 35 10.959 -23.845 -6.567 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.682 -25.443 -6.129 1.00 0.00 C ATOM 553 CZ TYR A 35 12.070 -24.544 -6.978 1.00 0.00 C ATOM 554 OH TYR A 35 12.570 -24.348 -8.248 1.00 0.00 O ATOM 0 H TYR A 35 7.894 -24.324 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 35 9.272 -26.920 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.309 -24.208 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.210 -25.705 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.582 -23.490 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.651 -26.356 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.485 -23.141 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.558 -25.985 -6.454 1.00 0.00 H new ATOM 0 HH TYR A 35 13.357 -24.916 -8.381 1.00 0.00 H new ATOM 564 N ALA A 36 9.408 -27.302 -1.000 1.00 0.00 N ATOM 565 CA ALA A 36 9.417 -27.652 0.415 1.00 0.00 C ATOM 566 C ALA A 36 10.861 -27.587 0.928 1.00 0.00 C ATOM 567 O ALA A 36 11.813 -27.616 0.133 1.00 0.00 O ATOM 568 CB ALA A 36 8.823 -29.053 0.609 1.00 0.00 C ATOM 0 H ALA A 36 9.948 -27.951 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 36 8.807 -26.950 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.833 -29.309 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.797 -29.067 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.417 -29.780 0.055 1.00 0.00 H new ATOM 574 N PHE A 37 11.003 -27.469 2.250 1.00 0.00 N ATOM 575 CA PHE A 37 12.306 -27.467 2.943 1.00 0.00 C ATOM 576 C PHE A 37 13.149 -28.738 2.604 1.00 0.00 C ATOM 577 O PHE A 37 12.591 -29.845 2.551 1.00 0.00 O ATOM 578 CB PHE A 37 12.080 -27.354 4.480 1.00 0.00 C ATOM 579 CG PHE A 37 11.294 -28.510 5.112 1.00 0.00 C ATOM 580 CD1 PHE A 37 9.914 -28.632 4.921 1.00 0.00 C ATOM 581 CD2 PHE A 37 11.934 -29.478 5.890 1.00 0.00 C ATOM 582 CE1 PHE A 37 9.207 -29.678 5.481 1.00 0.00 C ATOM 583 CE2 PHE A 37 11.221 -30.525 6.453 1.00 0.00 C ATOM 584 CZ PHE A 37 9.859 -30.624 6.247 1.00 0.00 C ATOM 0 H PHE A 37 10.209 -27.371 2.883 1.00 0.00 H new ATOM 0 HA PHE A 37 12.874 -26.604 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.051 -27.286 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.553 -26.422 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.393 -27.897 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.999 -29.410 6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.142 -29.756 5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.731 -31.264 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.304 -31.441 6.685 1.00 0.00 H new ATOM 594 N PRO A 38 14.495 -28.616 2.330 1.00 0.00 N ATOM 595 CA PRO A 38 15.214 -27.324 2.169 1.00 0.00 C ATOM 596 C PRO A 38 14.965 -26.667 0.779 1.00 0.00 C ATOM 597 O PRO A 38 14.760 -25.452 0.687 1.00 0.00 O ATOM 598 CB PRO A 38 16.700 -27.727 2.354 1.00 0.00 C ATOM 599 CG PRO A 38 16.773 -29.146 1.866 1.00 0.00 C ATOM 600 CD PRO A 38 15.435 -29.775 2.218 1.00 0.00 C ATOM 0 HA PRO A 38 14.877 -26.569 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.361 -27.077 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.004 -27.651 3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.951 -29.181 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.594 -29.682 2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.111 -30.476 1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.492 -30.332 3.153 1.00 0.00 H new ATOM 608 N ALA A 39 14.942 -27.496 -0.279 1.00 0.00 N ATOM 609 CA ALA A 39 14.815 -27.041 -1.676 1.00 0.00 C ATOM 610 C ALA A 39 14.393 -28.226 -2.562 1.00 0.00 C ATOM 611 O ALA A 39 15.173 -28.734 -3.374 1.00 0.00 O ATOM 612 CB ALA A 39 16.135 -26.401 -2.166 1.00 0.00 C ATOM 0 H ALA A 39 15.012 -28.510 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 39 14.045 -26.272 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 39 16.019 -26.073 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.379 -25.544 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.939 -27.135 -2.107 1.00 0.00 H new ATOM 618 N THR A 40 13.164 -28.708 -2.331 1.00 0.00 N ATOM 619 CA THR A 40 12.557 -29.796 -3.116 1.00 0.00 C ATOM 620 C THR A 40 11.463 -29.216 -4.015 1.00 0.00 C ATOM 621 O THR A 40 10.512 -28.648 -3.500 1.00 0.00 O ATOM 622 CB THR A 40 11.929 -30.880 -2.173 1.00 0.00 C ATOM 623 OG1 THR A 40 12.890 -31.295 -1.188 1.00 0.00 O ATOM 624 CG2 THR A 40 11.431 -32.116 -2.956 1.00 0.00 C ATOM 0 H THR A 40 12.558 -28.353 -1.591 1.00 0.00 H new ATOM 0 HA THR A 40 13.333 -30.267 -3.720 1.00 0.00 H new ATOM 0 HB THR A 40 11.068 -30.422 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.488 -31.971 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.004 -32.839 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.670 -31.810 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.267 -32.572 -3.486 1.00 0.00 H new ATOM 632 N LEU A 41 11.599 -29.354 -5.340 1.00 0.00 N ATOM 633 CA LEU A 41 10.590 -28.856 -6.291 1.00 0.00 C ATOM 634 C LEU A 41 9.464 -29.912 -6.397 1.00 0.00 C ATOM 635 O LEU A 41 9.643 -30.947 -7.047 1.00 0.00 O ATOM 636 CB LEU A 41 11.268 -28.562 -7.674 1.00 0.00 C ATOM 637 CG LEU A 41 10.574 -27.516 -8.623 1.00 0.00 C ATOM 638 CD1 LEU A 41 11.381 -27.315 -9.922 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.119 -27.877 -8.958 1.00 0.00 C ATOM 0 H LEU A 41 12.399 -29.807 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 41 10.152 -27.919 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.284 -28.218 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.347 -29.505 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 41 10.553 -26.579 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.875 -26.587 -10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.379 -26.952 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.460 -28.264 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.698 -27.117 -9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.090 -28.845 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.535 -27.926 -8.039 1.00 0.00 H new ATOM 651 N LEU A 42 8.318 -29.654 -5.731 1.00 0.00 N ATOM 652 CA LEU A 42 7.131 -30.534 -5.806 1.00 0.00 C ATOM 653 C LEU A 42 6.329 -30.238 -7.083 1.00 0.00 C ATOM 654 O LEU A 42 5.915 -31.167 -7.785 1.00 0.00 O ATOM 655 CB LEU A 42 6.183 -30.396 -4.567 1.00 0.00 C ATOM 656 CG LEU A 42 6.716 -30.911 -3.196 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.229 -32.360 -3.286 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.783 -29.975 -2.622 1.00 0.00 C ATOM 0 H LEU A 42 8.189 -28.839 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 42 7.510 -31.556 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.927 -29.343 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.258 -30.927 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 42 5.873 -30.912 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.591 -32.679 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.417 -33.014 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.042 -32.414 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.132 -30.365 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.621 -29.910 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.356 -28.983 -2.475 1.00 0.00 H new ATOM 670 N ALA A 43 6.115 -28.946 -7.380 1.00 0.00 N ATOM 671 CA ALA A 43 5.199 -28.529 -8.473 1.00 0.00 C ATOM 672 C ALA A 43 5.739 -27.307 -9.239 1.00 0.00 C ATOM 673 O ALA A 43 5.944 -26.251 -8.651 1.00 0.00 O ATOM 674 CB ALA A 43 3.816 -28.241 -7.882 1.00 0.00 C ATOM 0 H ALA A 43 6.557 -28.171 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 43 5.125 -29.341 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.137 -27.934 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.430 -29.141 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.895 -27.443 -7.144 1.00 0.00 H new ATOM 680 N GLY A 44 5.963 -27.475 -10.562 1.00 0.00 N ATOM 681 CA GLY A 44 6.586 -26.437 -11.409 1.00 0.00 C ATOM 682 C GLY A 44 5.580 -25.577 -12.176 1.00 0.00 C ATOM 683 O GLY A 44 5.907 -25.026 -13.240 1.00 0.00 O ATOM 0 H GLY A 44 5.719 -28.327 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.199 -25.790 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.256 -26.918 -12.122 1.00 0.00 H new ATOM 687 N ASN A 45 4.379 -25.444 -11.591 1.00 0.00 N ATOM 688 CA ASN A 45 3.204 -24.770 -12.193 1.00 0.00 C ATOM 689 C ASN A 45 1.983 -24.906 -11.254 1.00 0.00 C ATOM 690 O ASN A 45 1.914 -25.843 -10.447 1.00 0.00 O ATOM 691 CB ASN A 45 2.848 -25.315 -13.608 1.00 0.00 C ATOM 692 CG ASN A 45 2.488 -26.799 -13.621 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.338 -27.176 -13.404 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.460 -27.649 -13.902 1.00 0.00 N ATOM 0 H ASN A 45 4.187 -25.811 -10.659 1.00 0.00 H new ATOM 0 HA ASN A 45 3.469 -23.720 -12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.010 -24.743 -14.008 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.694 -25.149 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.266 -28.650 -13.944 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.404 -27.305 -14.077 1.00 0.00 H new ATOM 701 N ALA A 46 1.009 -23.986 -11.420 1.00 0.00 N ATOM 702 CA ALA A 46 -0.186 -23.859 -10.546 1.00 0.00 C ATOM 703 C ALA A 46 -1.068 -25.125 -10.527 1.00 0.00 C ATOM 704 O ALA A 46 -1.696 -25.434 -9.499 1.00 0.00 O ATOM 705 CB ALA A 46 -1.024 -22.649 -10.984 1.00 0.00 C ATOM 0 H ALA A 46 1.027 -23.299 -12.174 1.00 0.00 H new ATOM 0 HA ALA A 46 0.183 -23.720 -9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.899 -22.560 -10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.423 -21.743 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.346 -22.784 -12.017 1.00 0.00 H new ATOM 711 N ALA A 47 -1.106 -25.846 -11.663 1.00 0.00 N ATOM 712 CA ALA A 47 -1.959 -27.039 -11.829 1.00 0.00 C ATOM 713 C ALA A 47 -1.595 -28.125 -10.809 1.00 0.00 C ATOM 714 O ALA A 47 -2.445 -28.592 -10.060 1.00 0.00 O ATOM 715 CB ALA A 47 -1.849 -27.592 -13.255 1.00 0.00 C ATOM 0 H ALA A 47 -0.550 -25.620 -12.488 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.991 -26.736 -11.652 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.486 -28.471 -13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.168 -26.830 -13.966 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.815 -27.869 -13.459 1.00 0.00 H new ATOM 721 N GLU A 48 -0.301 -28.460 -10.748 1.00 0.00 N ATOM 722 CA GLU A 48 0.205 -29.546 -9.884 1.00 0.00 C ATOM 723 C GLU A 48 0.099 -29.155 -8.391 1.00 0.00 C ATOM 724 O GLU A 48 -0.074 -30.026 -7.524 1.00 0.00 O ATOM 725 CB GLU A 48 1.667 -29.893 -10.260 1.00 0.00 C ATOM 726 CG GLU A 48 1.906 -30.112 -11.765 1.00 0.00 C ATOM 727 CD GLU A 48 3.356 -30.508 -12.089 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.273 -29.700 -11.824 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.593 -31.625 -12.596 1.00 0.00 O ATOM 0 H GLU A 48 0.425 -27.992 -11.291 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.412 -30.430 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.318 -29.089 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.962 -30.795 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.233 -30.890 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.655 -29.199 -12.304 1.00 0.00 H new ATOM 736 N ILE A 49 0.183 -27.831 -8.113 1.00 0.00 N ATOM 737 CA ILE A 49 0.060 -27.279 -6.749 1.00 0.00 C ATOM 738 C ILE A 49 -1.346 -27.549 -6.186 1.00 0.00 C ATOM 739 O ILE A 49 -1.482 -28.101 -5.085 1.00 0.00 O ATOM 740 CB ILE A 49 0.336 -25.724 -6.715 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.753 -25.405 -7.268 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.167 -25.138 -5.288 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.098 -23.929 -7.354 1.00 0.00 C ATOM 0 H ILE A 49 0.338 -27.121 -8.829 1.00 0.00 H new ATOM 0 HA ILE A 49 0.811 -27.777 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.407 -25.249 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.491 -25.898 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.844 -25.841 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.366 -24.066 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.852 -25.311 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.868 -25.624 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.106 -23.814 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.389 -23.427 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.047 -23.485 -6.360 1.00 0.00 H new ATOM 755 N ARG A 50 -2.383 -27.169 -6.963 1.00 0.00 N ATOM 756 CA ARG A 50 -3.781 -27.278 -6.510 1.00 0.00 C ATOM 757 C ARG A 50 -4.190 -28.753 -6.364 1.00 0.00 C ATOM 758 O ARG A 50 -4.843 -29.091 -5.391 1.00 0.00 O ATOM 759 CB ARG A 50 -4.762 -26.456 -7.421 1.00 0.00 C ATOM 760 CG ARG A 50 -4.846 -26.849 -8.924 1.00 0.00 C ATOM 761 CD ARG A 50 -5.922 -27.912 -9.245 1.00 0.00 C ATOM 762 NE ARG A 50 -7.293 -27.426 -8.960 1.00 0.00 N ATOM 763 CZ ARG A 50 -8.214 -27.096 -9.885 1.00 0.00 C ATOM 764 NH1 ARG A 50 -7.967 -27.259 -11.181 1.00 0.00 N ATOM 765 NH2 ARG A 50 -9.397 -26.637 -9.500 1.00 0.00 N ATOM 0 H ARG A 50 -2.276 -26.786 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.854 -26.826 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.763 -26.536 -6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.474 -25.406 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.051 -25.953 -9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.874 -27.225 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.850 -28.194 -10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.728 -28.811 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.561 -27.334 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.070 -27.638 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.674 -27.005 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.606 -26.535 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.098 -26.386 -10.197 1.00 0.00 H new ATOM 779 N VAL A 51 -3.729 -29.622 -7.299 1.00 0.00 N ATOM 780 CA VAL A 51 -4.069 -31.076 -7.311 1.00 0.00 C ATOM 781 C VAL A 51 -3.617 -31.776 -6.012 1.00 0.00 C ATOM 782 O VAL A 51 -4.406 -32.473 -5.362 1.00 0.00 O ATOM 783 CB VAL A 51 -3.437 -31.815 -8.557 1.00 0.00 C ATOM 784 CG1 VAL A 51 -3.653 -33.351 -8.494 1.00 0.00 C ATOM 785 CG2 VAL A 51 -3.999 -31.255 -9.884 1.00 0.00 C ATOM 0 H VAL A 51 -3.115 -29.341 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.155 -31.138 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.364 -31.625 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.203 -33.818 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.187 -33.747 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.721 -33.568 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.545 -31.783 -10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.080 -31.394 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.768 -30.192 -9.957 1.00 0.00 H new ATOM 795 N ARG A 52 -2.351 -31.547 -5.632 1.00 0.00 N ATOM 796 CA ARG A 52 -1.746 -32.194 -4.449 1.00 0.00 C ATOM 797 C ARG A 52 -2.383 -31.660 -3.147 1.00 0.00 C ATOM 798 O ARG A 52 -2.459 -32.371 -2.137 1.00 0.00 O ATOM 799 CB ARG A 52 -0.208 -31.983 -4.452 1.00 0.00 C ATOM 800 CG ARG A 52 0.560 -32.917 -3.485 1.00 0.00 C ATOM 801 CD ARG A 52 2.089 -32.735 -3.552 1.00 0.00 C ATOM 802 NE ARG A 52 2.809 -33.800 -2.827 1.00 0.00 N ATOM 803 CZ ARG A 52 3.094 -33.808 -1.510 1.00 0.00 C ATOM 804 NH1 ARG A 52 2.704 -32.817 -0.707 1.00 0.00 N ATOM 805 NH2 ARG A 52 3.746 -34.843 -1.002 1.00 0.00 N ATOM 0 H ARG A 52 -1.721 -30.916 -6.127 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.943 -33.265 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.167 -32.137 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.006 -30.948 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.223 -32.731 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.313 -33.953 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.407 -32.728 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.357 -31.766 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 52 3.119 -34.604 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.178 -32.030 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.932 -32.846 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.024 -35.617 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.970 -34.866 -0.007 1.00 0.00 H new ATOM 819 N HIS A 53 -2.841 -30.397 -3.192 1.00 0.00 N ATOM 820 CA HIS A 53 -3.557 -29.765 -2.072 1.00 0.00 C ATOM 821 C HIS A 53 -5.024 -30.237 -2.001 1.00 0.00 C ATOM 822 O HIS A 53 -5.565 -30.295 -0.910 1.00 0.00 O ATOM 823 CB HIS A 53 -3.464 -28.220 -2.148 1.00 0.00 C ATOM 824 CG HIS A 53 -2.110 -27.665 -1.769 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.385 -26.811 -2.577 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.377 -27.811 -0.635 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.275 -26.457 -1.958 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.243 -27.048 -0.783 1.00 0.00 N ATOM 0 H HIS A 53 -2.726 -29.788 -4.002 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.069 -30.081 -1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.705 -27.901 -3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.219 -27.788 -1.491 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.664 -26.502 -3.508 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.636 -28.414 0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.481 -25.793 -2.350 1.00 0.00 H new ATOM 837 N ILE A 54 -5.651 -30.592 -3.154 1.00 0.00 N ATOM 838 CA ILE A 54 -7.047 -31.115 -3.185 1.00 0.00 C ATOM 839 C ILE A 54 -7.160 -32.340 -2.260 1.00 0.00 C ATOM 840 O ILE A 54 -8.057 -32.408 -1.420 1.00 0.00 O ATOM 841 CB ILE A 54 -7.504 -31.492 -4.658 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.720 -30.214 -5.525 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.778 -32.377 -4.677 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.891 -30.471 -7.015 1.00 0.00 C ATOM 0 H ILE A 54 -5.214 -30.526 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.711 -30.326 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.694 -32.079 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.602 -29.689 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.870 -29.547 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.047 -32.606 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.585 -33.305 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.599 -31.843 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.035 -29.523 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.001 -30.965 -7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.760 -31.109 -7.177 1.00 0.00 H new ATOM 856 N GLU A 55 -6.180 -33.249 -2.400 1.00 0.00 N ATOM 857 CA GLU A 55 -6.057 -34.476 -1.582 1.00 0.00 C ATOM 858 C GLU A 55 -5.999 -34.145 -0.072 1.00 0.00 C ATOM 859 O GLU A 55 -6.661 -34.794 0.746 1.00 0.00 O ATOM 860 CB GLU A 55 -4.783 -35.248 -2.022 1.00 0.00 C ATOM 861 CG GLU A 55 -4.771 -35.653 -3.510 1.00 0.00 C ATOM 862 CD GLU A 55 -3.435 -36.265 -3.960 1.00 0.00 C ATOM 863 OE1 GLU A 55 -3.233 -37.489 -3.784 1.00 0.00 O ATOM 864 OE2 GLU A 55 -2.579 -35.525 -4.489 1.00 0.00 O ATOM 0 H GLU A 55 -5.438 -33.154 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.938 -35.097 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.909 -34.630 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.687 -36.146 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.571 -36.371 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.985 -34.776 -4.120 1.00 0.00 H new ATOM 871 N ARG A 56 -5.231 -33.098 0.267 1.00 0.00 N ATOM 872 CA ARG A 56 -5.061 -32.629 1.661 1.00 0.00 C ATOM 873 C ARG A 56 -6.363 -31.971 2.185 1.00 0.00 C ATOM 874 O ARG A 56 -6.680 -32.061 3.376 1.00 0.00 O ATOM 875 CB ARG A 56 -3.844 -31.658 1.747 1.00 0.00 C ATOM 876 CG ARG A 56 -3.576 -31.044 3.142 1.00 0.00 C ATOM 877 CD ARG A 56 -3.365 -32.093 4.256 1.00 0.00 C ATOM 878 NE ARG A 56 -2.114 -32.855 4.104 1.00 0.00 N ATOM 879 CZ ARG A 56 -1.541 -33.578 5.081 1.00 0.00 C ATOM 880 NH1 ARG A 56 -2.151 -33.745 6.252 1.00 0.00 N ATOM 881 NH2 ARG A 56 -0.378 -34.170 4.867 1.00 0.00 N ATOM 0 H ARG A 56 -4.708 -32.549 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.857 -33.485 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.950 -32.195 1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.999 -30.846 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.694 -30.407 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.415 -30.403 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.362 -31.591 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.207 -32.785 4.259 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.651 -32.832 3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.064 -33.322 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.705 -34.296 6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.082 -34.077 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.059 -34.719 5.607 1.00 0.00 H new ATOM 895 N PHE A 57 -7.121 -31.342 1.274 1.00 0.00 N ATOM 896 CA PHE A 57 -8.424 -30.716 1.587 1.00 0.00 C ATOM 897 C PHE A 57 -9.529 -31.794 1.754 1.00 0.00 C ATOM 898 O PHE A 57 -10.606 -31.500 2.283 1.00 0.00 O ATOM 899 CB PHE A 57 -8.801 -29.658 0.498 1.00 0.00 C ATOM 900 CG PHE A 57 -8.071 -28.304 0.609 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.697 -28.227 0.840 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.765 -27.104 0.470 1.00 0.00 C ATOM 903 CE1 PHE A 57 -6.051 -27.009 0.930 1.00 0.00 C ATOM 904 CE2 PHE A 57 -8.119 -25.885 0.560 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.766 -25.839 0.790 1.00 0.00 C ATOM 0 H PHE A 57 -6.851 -31.250 0.295 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.339 -30.191 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.594 -30.083 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.875 -29.478 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.127 -29.138 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.829 -27.126 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.987 -26.974 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.679 -24.968 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.262 -24.886 0.861 1.00 0.00 H new ATOM 915 N LYS A 58 -9.247 -33.041 1.314 1.00 0.00 N ATOM 916 CA LYS A 58 -10.116 -34.215 1.578 1.00 0.00 C ATOM 917 C LYS A 58 -9.697 -34.954 2.875 1.00 0.00 C ATOM 918 O LYS A 58 -10.368 -35.909 3.288 1.00 0.00 O ATOM 919 CB LYS A 58 -10.064 -35.209 0.386 1.00 0.00 C ATOM 920 CG LYS A 58 -10.297 -34.579 -0.997 1.00 0.00 C ATOM 921 CD LYS A 58 -11.616 -33.784 -1.100 1.00 0.00 C ATOM 922 CE LYS A 58 -11.703 -32.993 -2.411 1.00 0.00 C ATOM 923 NZ LYS A 58 -13.020 -32.328 -2.572 1.00 0.00 N ATOM 0 H LYS A 58 -8.415 -33.264 0.768 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.133 -33.842 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.091 -35.701 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.813 -35.984 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.464 -33.916 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.298 -35.367 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.460 -34.470 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.694 -33.099 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.913 -32.243 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.531 -33.665 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.037 -31.804 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.773 -33.045 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.174 -31.668 -1.784 1.00 0.00 H new ATOM 937 N GLU A 59 -8.588 -34.521 3.503 1.00 0.00 N ATOM 938 CA GLU A 59 -8.025 -35.190 4.696 1.00 0.00 C ATOM 939 C GLU A 59 -8.326 -34.348 5.968 1.00 0.00 C ATOM 940 O GLU A 59 -7.925 -33.182 6.041 1.00 0.00 O ATOM 941 CB GLU A 59 -6.501 -35.414 4.490 1.00 0.00 C ATOM 942 CG GLU A 59 -5.857 -36.420 5.466 1.00 0.00 C ATOM 943 CD GLU A 59 -4.485 -36.918 4.981 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.487 -36.186 5.126 1.00 0.00 O ATOM 945 OE2 GLU A 59 -4.402 -38.041 4.427 1.00 0.00 O ATOM 0 H GLU A 59 -8.058 -33.703 3.202 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.491 -36.165 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.334 -35.761 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.991 -34.456 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.745 -35.951 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.524 -37.272 5.596 1.00 0.00 H new ATOM 952 N PRO A 60 -9.028 -34.940 6.995 1.00 0.00 N ATOM 953 CA PRO A 60 -9.667 -34.175 8.113 1.00 0.00 C ATOM 954 C PRO A 60 -8.679 -33.476 9.083 1.00 0.00 C ATOM 955 O PRO A 60 -9.079 -32.542 9.793 1.00 0.00 O ATOM 956 CB PRO A 60 -10.500 -35.262 8.844 1.00 0.00 C ATOM 957 CG PRO A 60 -9.757 -36.533 8.575 1.00 0.00 C ATOM 958 CD PRO A 60 -9.251 -36.406 7.156 1.00 0.00 C ATOM 0 HA PRO A 60 -10.248 -33.337 7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.570 -35.059 9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.520 -35.308 8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.933 -36.663 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.408 -37.400 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.331 -36.971 7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.977 -36.783 6.436 1.00 0.00 H new ATOM 966 N ASP A 61 -7.402 -33.910 9.100 1.00 0.00 N ATOM 967 CA ASP A 61 -6.390 -33.387 10.056 1.00 0.00 C ATOM 968 C ASP A 61 -5.968 -31.952 9.694 1.00 0.00 C ATOM 969 O ASP A 61 -5.523 -31.199 10.568 1.00 0.00 O ATOM 970 CB ASP A 61 -5.141 -34.316 10.125 1.00 0.00 C ATOM 971 CG ASP A 61 -4.214 -34.264 8.886 1.00 0.00 C ATOM 972 OD1 ASP A 61 -4.717 -34.286 7.742 1.00 0.00 O ATOM 973 OD2 ASP A 61 -2.971 -34.215 9.060 1.00 0.00 O ATOM 0 H ASP A 61 -7.042 -34.622 8.464 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.857 -33.369 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.558 -34.050 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.479 -35.343 10.264 1.00 0.00 H new ATOM 978 N LEU A 62 -6.127 -31.596 8.402 1.00 0.00 N ATOM 979 CA LEU A 62 -5.769 -30.271 7.871 1.00 0.00 C ATOM 980 C LEU A 62 -6.479 -29.123 8.626 1.00 0.00 C ATOM 981 O LEU A 62 -7.712 -29.062 8.688 1.00 0.00 O ATOM 982 CB LEU A 62 -6.099 -30.180 6.358 1.00 0.00 C ATOM 983 CG LEU A 62 -5.897 -28.770 5.704 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.412 -28.352 5.711 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.503 -28.706 4.290 1.00 0.00 C ATOM 0 H LEU A 62 -6.510 -32.226 7.697 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.695 -30.154 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.478 -30.900 5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.136 -30.483 6.212 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.438 -28.048 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.308 -27.370 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.050 -28.311 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.826 -29.080 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.343 -27.713 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.023 -29.450 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.573 -28.909 4.343 1.00 0.00 H new ATOM 997 N TYR A 63 -5.660 -28.241 9.204 1.00 0.00 N ATOM 998 CA TYR A 63 -6.100 -26.991 9.830 1.00 0.00 C ATOM 999 C TYR A 63 -4.948 -25.981 9.732 1.00 0.00 C ATOM 1000 O TYR A 63 -3.789 -26.376 9.827 1.00 0.00 O ATOM 1001 CB TYR A 63 -6.499 -27.255 11.303 1.00 0.00 C ATOM 1002 CG TYR A 63 -6.976 -26.018 12.080 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.254 -25.490 11.877 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.147 -25.372 13.009 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -8.684 -24.374 12.568 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -6.581 -24.255 13.700 1.00 0.00 C ATOM 1007 CZ TYR A 63 -7.845 -23.760 13.475 1.00 0.00 C ATOM 1008 OH TYR A 63 -8.278 -22.646 14.164 1.00 0.00 O ATOM 0 H TYR A 63 -4.650 -28.379 9.251 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.976 -26.587 9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.291 -28.004 11.320 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.643 -27.684 11.824 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.917 -25.963 11.167 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.153 -25.753 13.188 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.676 -23.982 12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.930 -23.773 14.414 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.568 -22.336 14.764 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.269 -24.691 9.534 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.254 -23.633 9.444 1.00 0.00 C ATOM 1020 C GLY A 64 -4.579 -22.472 10.374 1.00 0.00 C ATOM 1021 O GLY A 64 -5.503 -21.703 10.094 1.00 0.00 O ATOM 0 H GLY A 64 -6.228 -24.357 9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.276 -24.042 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.192 -23.273 8.417 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.842 -22.371 11.499 1.00 0.00 N ATOM 1026 CA GLU A 65 -3.955 -21.249 12.454 1.00 0.00 C ATOM 1027 C GLU A 65 -2.799 -20.267 12.230 1.00 0.00 C ATOM 1028 O GLU A 65 -1.660 -20.577 12.574 1.00 0.00 O ATOM 1029 CB GLU A 65 -3.920 -21.776 13.923 1.00 0.00 C ATOM 1030 CG GLU A 65 -3.733 -20.679 15.004 1.00 0.00 C ATOM 1031 CD GLU A 65 -3.799 -21.214 16.442 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -2.802 -21.799 16.917 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.846 -21.045 17.110 1.00 0.00 O ATOM 0 H GLU A 65 -3.149 -23.068 11.772 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.905 -20.741 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.848 -22.310 14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.110 -22.499 14.015 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.771 -20.190 14.851 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.502 -19.917 14.873 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.080 -19.089 11.649 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.050 -18.052 11.478 1.00 0.00 C ATOM 1042 C LEU A 66 -1.834 -17.317 12.806 1.00 0.00 C ATOM 1043 O LEU A 66 -2.795 -16.900 13.452 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.423 -17.034 10.380 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.226 -16.157 9.884 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.278 -16.981 8.995 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.705 -14.889 9.156 1.00 0.00 C ATOM 0 H LEU A 66 -4.001 -18.833 11.293 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.132 -18.550 11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.842 -17.572 9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.206 -16.378 10.760 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.673 -15.831 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.547 -16.351 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.115 -17.823 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.824 -17.353 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.842 -14.309 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.303 -15.171 8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.310 -14.287 9.834 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.573 -17.163 13.199 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.188 -16.487 14.456 1.00 0.00 C ATOM 1061 C LEU A 67 0.531 -15.161 14.148 1.00 0.00 C ATOM 1062 O LEU A 67 0.484 -14.223 14.950 1.00 0.00 O ATOM 1063 CB LEU A 67 0.695 -17.453 15.293 1.00 0.00 C ATOM 1064 CG LEU A 67 1.941 -18.047 14.534 1.00 0.00 C ATOM 1065 CD1 LEU A 67 3.266 -17.445 15.013 1.00 0.00 C ATOM 1066 CD2 LEU A 67 1.972 -19.582 14.575 1.00 0.00 C ATOM 0 H LEU A 67 0.223 -17.502 12.658 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.074 -16.238 15.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.047 -16.923 16.178 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.074 -18.278 15.641 1.00 0.00 H new ATOM 0 HG LEU A 67 1.822 -17.755 13.491 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.090 -17.890 14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.257 -16.368 14.848 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.395 -17.648 16.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.849 -19.943 14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.017 -19.917 15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.071 -19.977 14.105 1.00 0.00 H new ATOM 1078 N THR A 68 1.207 -15.112 12.978 1.00 0.00 N ATOM 1079 CA THR A 68 1.944 -13.925 12.490 1.00 0.00 C ATOM 1080 C THR A 68 2.094 -14.013 10.961 1.00 0.00 C ATOM 1081 O THR A 68 2.260 -15.107 10.427 1.00 0.00 O ATOM 1082 CB THR A 68 3.382 -13.837 13.136 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.286 -13.811 14.567 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.179 -12.599 12.676 1.00 0.00 C ATOM 0 H THR A 68 1.256 -15.905 12.339 1.00 0.00 H new ATOM 0 HA THR A 68 1.380 -13.036 12.772 1.00 0.00 H new ATOM 0 HB THR A 68 3.917 -14.725 12.799 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.185 -13.758 14.954 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.158 -12.597 13.156 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.305 -12.629 11.594 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.638 -11.694 12.953 1.00 0.00 H new ATOM 1092 N ARG A 69 2.019 -12.868 10.259 1.00 0.00 N ATOM 1093 CA ARG A 69 2.520 -12.763 8.877 1.00 0.00 C ATOM 1094 C ARG A 69 3.178 -11.394 8.651 1.00 0.00 C ATOM 1095 O ARG A 69 2.698 -10.362 9.140 1.00 0.00 O ATOM 1096 CB ARG A 69 1.452 -13.057 7.794 1.00 0.00 C ATOM 1097 CG ARG A 69 0.303 -12.045 7.673 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.576 -12.343 6.446 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.819 -11.560 6.452 1.00 0.00 N ATOM 1100 CZ ARG A 69 -3.018 -12.039 6.114 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -3.168 -13.307 5.716 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -4.074 -11.246 6.187 1.00 0.00 N ATOM 0 H ARG A 69 1.617 -12.005 10.625 1.00 0.00 H new ATOM 0 HA ARG A 69 3.268 -13.548 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.954 -13.121 6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.023 -14.038 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.307 -12.074 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.710 -11.037 7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.015 -12.124 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.818 -13.406 6.424 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.762 -10.582 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.358 -13.925 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.092 -13.656 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.966 -10.281 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.996 -11.600 5.932 1.00 0.00 H new ATOM 1116 N VAL A 70 4.301 -11.425 7.922 1.00 0.00 N ATOM 1117 CA VAL A 70 5.159 -10.263 7.652 1.00 0.00 C ATOM 1118 C VAL A 70 5.324 -10.087 6.135 1.00 0.00 C ATOM 1119 O VAL A 70 5.397 -11.074 5.401 1.00 0.00 O ATOM 1120 CB VAL A 70 6.567 -10.439 8.350 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.433 -10.440 9.894 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.284 -11.724 7.869 1.00 0.00 C ATOM 0 H VAL A 70 4.648 -12.282 7.492 1.00 0.00 H new ATOM 0 HA VAL A 70 4.689 -9.369 8.063 1.00 0.00 H new ATOM 0 HB VAL A 70 7.178 -9.584 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.418 -10.563 10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.999 -9.496 10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.788 -11.262 10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.248 -11.812 8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.671 -12.593 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.438 -11.673 6.791 1.00 0.00 H new ATOM 1132 N ILE A 71 5.380 -8.832 5.661 1.00 0.00 N ATOM 1133 CA ILE A 71 5.535 -8.535 4.220 1.00 0.00 C ATOM 1134 C ILE A 71 6.874 -7.814 3.952 1.00 0.00 C ATOM 1135 O ILE A 71 7.260 -6.887 4.673 1.00 0.00 O ATOM 1136 CB ILE A 71 4.313 -7.716 3.643 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.508 -7.430 2.114 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.063 -6.415 4.442 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.321 -6.785 1.432 1.00 0.00 C ATOM 0 H ILE A 71 5.321 -8.003 6.252 1.00 0.00 H new ATOM 0 HA ILE A 71 5.548 -9.488 3.691 1.00 0.00 H new ATOM 0 HB ILE A 71 3.419 -8.329 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.377 -6.784 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.733 -8.369 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.215 -5.882 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.848 -6.662 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.950 -5.783 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.549 -6.626 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.452 -7.437 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.106 -5.827 1.905 1.00 0.00 H new ATOM 1151 N VAL A 72 7.577 -8.290 2.909 1.00 0.00 N ATOM 1152 CA VAL A 72 8.842 -7.733 2.413 1.00 0.00 C ATOM 1153 C VAL A 72 8.677 -7.458 0.904 1.00 0.00 C ATOM 1154 O VAL A 72 8.820 -8.377 0.081 1.00 0.00 O ATOM 1155 CB VAL A 72 10.060 -8.718 2.645 1.00 0.00 C ATOM 1156 CG1 VAL A 72 11.395 -8.078 2.180 1.00 0.00 C ATOM 1157 CG2 VAL A 72 10.143 -9.175 4.124 1.00 0.00 C ATOM 0 H VAL A 72 7.267 -9.100 2.372 1.00 0.00 H new ATOM 0 HA VAL A 72 9.063 -6.818 2.962 1.00 0.00 H new ATOM 0 HB VAL A 72 9.886 -9.605 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.213 -8.778 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.335 -7.843 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.576 -7.163 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.990 -9.850 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.275 -8.305 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.223 -9.692 4.397 1.00 0.00 H new ATOM 1167 N GLY A 73 8.332 -6.204 0.565 1.00 0.00 N ATOM 1168 CA GLY A 73 8.172 -5.771 -0.826 1.00 0.00 C ATOM 1169 C GLY A 73 7.076 -6.531 -1.576 1.00 0.00 C ATOM 1170 O GLY A 73 5.879 -6.276 -1.370 1.00 0.00 O ATOM 0 H GLY A 73 8.158 -5.467 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.942 -4.706 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.119 -5.901 -1.351 1.00 0.00 H new ATOM 1174 N ASN A 74 7.494 -7.483 -2.438 1.00 0.00 N ATOM 1175 CA ASN A 74 6.577 -8.278 -3.286 1.00 0.00 C ATOM 1176 C ASN A 74 6.446 -9.726 -2.769 1.00 0.00 C ATOM 1177 O ASN A 74 5.967 -10.608 -3.482 1.00 0.00 O ATOM 1178 CB ASN A 74 7.065 -8.251 -4.766 1.00 0.00 C ATOM 1179 CG ASN A 74 8.341 -9.062 -5.023 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.453 -8.566 -4.844 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.184 -10.305 -5.472 1.00 0.00 N ATOM 0 H ASN A 74 8.477 -7.723 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 74 5.585 -7.829 -3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.270 -8.634 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.240 -7.216 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.001 -10.879 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.247 -10.683 -5.609 1.00 0.00 H new ATOM 1188 N VAL A 75 6.827 -9.946 -1.503 1.00 0.00 N ATOM 1189 CA VAL A 75 6.872 -11.288 -0.872 1.00 0.00 C ATOM 1190 C VAL A 75 6.203 -11.214 0.523 1.00 0.00 C ATOM 1191 O VAL A 75 6.361 -10.216 1.211 1.00 0.00 O ATOM 1192 CB VAL A 75 8.377 -11.772 -0.723 1.00 0.00 C ATOM 1193 CG1 VAL A 75 8.477 -13.180 -0.096 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.128 -11.719 -2.078 1.00 0.00 C ATOM 0 H VAL A 75 7.117 -9.196 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 75 6.337 -12.001 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 75 8.862 -11.075 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.525 -13.468 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.025 -13.170 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.952 -13.897 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.155 -12.057 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.627 -12.367 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.131 -10.695 -2.453 1.00 0.00 H new ATOM 1204 N VAL A 76 5.425 -12.245 0.921 1.00 0.00 N ATOM 1205 CA VAL A 76 4.870 -12.349 2.300 1.00 0.00 C ATOM 1206 C VAL A 76 5.254 -13.711 2.921 1.00 0.00 C ATOM 1207 O VAL A 76 5.210 -14.735 2.242 1.00 0.00 O ATOM 1208 CB VAL A 76 3.292 -12.195 2.350 1.00 0.00 C ATOM 1209 CG1 VAL A 76 2.748 -12.261 3.807 1.00 0.00 C ATOM 1210 CG2 VAL A 76 2.813 -10.897 1.659 1.00 0.00 C ATOM 0 H VAL A 76 5.164 -13.020 0.311 1.00 0.00 H new ATOM 0 HA VAL A 76 5.301 -11.525 2.868 1.00 0.00 H new ATOM 0 HB VAL A 76 2.886 -13.042 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.664 -12.151 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.011 -13.221 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.188 -11.457 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.726 -10.833 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.254 -10.035 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.120 -10.907 0.613 1.00 0.00 H new ATOM 1220 N ILE A 77 5.647 -13.697 4.208 1.00 0.00 N ATOM 1221 CA ILE A 77 5.782 -14.906 5.032 1.00 0.00 C ATOM 1222 C ILE A 77 4.539 -15.037 5.911 1.00 0.00 C ATOM 1223 O ILE A 77 4.334 -14.220 6.807 1.00 0.00 O ATOM 1224 CB ILE A 77 7.091 -14.864 5.931 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.361 -15.137 5.048 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.015 -15.801 7.179 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.530 -15.793 5.756 1.00 0.00 C ATOM 0 H ILE A 77 5.881 -12.838 4.706 1.00 0.00 H new ATOM 0 HA ILE A 77 5.874 -15.771 4.375 1.00 0.00 H new ATOM 0 HB ILE A 77 7.172 -13.859 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.068 -15.769 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.700 -14.189 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.941 -15.724 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.176 -15.502 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.875 -16.831 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.350 -15.933 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.862 -15.157 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.220 -16.761 6.150 1.00 0.00 H new ATOM 1239 N ASP A 78 3.700 -16.032 5.618 1.00 0.00 N ATOM 1240 CA ASP A 78 2.621 -16.456 6.516 1.00 0.00 C ATOM 1241 C ASP A 78 3.184 -17.516 7.463 1.00 0.00 C ATOM 1242 O ASP A 78 3.488 -18.632 7.048 1.00 0.00 O ATOM 1243 CB ASP A 78 1.387 -16.996 5.722 1.00 0.00 C ATOM 1244 CG ASP A 78 0.571 -15.874 5.052 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.118 -15.218 4.140 1.00 0.00 O ATOM 1246 OD2 ASP A 78 -0.608 -15.638 5.440 1.00 0.00 O ATOM 0 H ASP A 78 3.748 -16.568 4.751 1.00 0.00 H new ATOM 0 HA ASP A 78 2.262 -15.600 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.729 -17.695 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.741 -17.554 6.399 1.00 0.00 H new ATOM 1251 N HIS A 79 3.365 -17.138 8.735 1.00 0.00 N ATOM 1252 CA HIS A 79 3.842 -18.053 9.776 1.00 0.00 C ATOM 1253 C HIS A 79 2.625 -18.553 10.557 1.00 0.00 C ATOM 1254 O HIS A 79 1.990 -17.802 11.308 1.00 0.00 O ATOM 1255 CB HIS A 79 4.860 -17.347 10.712 1.00 0.00 C ATOM 1256 CG HIS A 79 5.405 -18.202 11.845 1.00 0.00 C ATOM 1257 ND1 HIS A 79 5.170 -19.562 11.982 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.192 -17.867 12.899 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.777 -20.013 13.057 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.404 -19.009 13.632 1.00 0.00 N ATOM 0 H HIS A 79 3.185 -16.191 9.069 1.00 0.00 H new ATOM 0 HA HIS A 79 4.364 -18.897 9.324 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.698 -16.995 10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.383 -16.466 11.141 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.610 -20.127 11.344 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.580 -16.884 13.120 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.763 -21.034 13.409 1.00 0.00 H new ATOM 1269 N GLU A 80 2.310 -19.829 10.341 1.00 0.00 N ATOM 1270 CA GLU A 80 1.141 -20.504 10.912 1.00 0.00 C ATOM 1271 C GLU A 80 1.566 -21.770 11.678 1.00 0.00 C ATOM 1272 O GLU A 80 2.707 -22.220 11.581 1.00 0.00 O ATOM 1273 CB GLU A 80 0.082 -20.841 9.789 1.00 0.00 C ATOM 1274 CG GLU A 80 0.627 -21.023 8.345 1.00 0.00 C ATOM 1275 CD GLU A 80 1.783 -22.039 8.200 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.609 -23.212 8.593 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.865 -21.661 7.684 1.00 0.00 O ATOM 0 H GLU A 80 2.874 -20.439 9.749 1.00 0.00 H new ATOM 0 HA GLU A 80 0.666 -19.827 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.436 -21.756 10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.662 -20.045 9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.194 -21.337 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.968 -20.055 7.978 1.00 0.00 H new ATOM 1284 N THR A 81 0.650 -22.263 12.507 1.00 0.00 N ATOM 1285 CA THR A 81 0.705 -23.596 13.098 1.00 0.00 C ATOM 1286 C THR A 81 -0.374 -24.473 12.433 1.00 0.00 C ATOM 1287 O THR A 81 -1.574 -24.271 12.671 1.00 0.00 O ATOM 1288 CB THR A 81 0.467 -23.527 14.642 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.387 -22.605 15.228 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.648 -24.886 15.326 1.00 0.00 C ATOM 0 H THR A 81 -0.172 -21.732 12.794 1.00 0.00 H new ATOM 0 HA THR A 81 1.692 -24.027 12.931 1.00 0.00 H new ATOM 0 HB THR A 81 -0.564 -23.205 14.789 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.235 -23.061 15.412 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.471 -24.781 16.396 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.062 -25.600 14.909 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.664 -25.245 15.159 1.00 0.00 H new ATOM 1298 N VAL A 82 0.047 -25.404 11.557 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.872 -26.361 10.917 1.00 0.00 C ATOM 1300 C VAL A 82 -0.999 -27.641 11.745 1.00 0.00 C ATOM 1301 O VAL A 82 -0.001 -28.194 12.198 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.458 -26.724 9.441 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.693 -25.526 8.496 1.00 0.00 C ATOM 1304 CG2 VAL A 82 1.003 -27.225 9.357 1.00 0.00 C ATOM 0 H VAL A 82 1.021 -25.513 11.276 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.838 -25.859 10.870 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.096 -27.546 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.400 -25.799 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.749 -25.255 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.096 -24.677 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.247 -27.464 8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.676 -26.447 9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.117 -28.118 9.972 1.00 0.00 H new ATOM 1314 N THR A 83 -2.237 -28.103 11.936 1.00 0.00 N ATOM 1315 CA THR A 83 -2.512 -29.369 12.614 1.00 0.00 C ATOM 1316 C THR A 83 -2.220 -30.550 11.665 1.00 0.00 C ATOM 1317 O THR A 83 -2.686 -30.568 10.519 1.00 0.00 O ATOM 1318 CB THR A 83 -3.986 -29.422 13.118 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.260 -28.280 13.952 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.302 -30.707 13.906 1.00 0.00 C ATOM 0 H THR A 83 -3.074 -27.610 11.625 1.00 0.00 H new ATOM 0 HA THR A 83 -1.858 -29.445 13.483 1.00 0.00 H new ATOM 0 HB THR A 83 -4.621 -29.413 12.232 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.188 -28.318 14.264 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.342 -30.688 14.231 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.138 -31.575 13.268 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.650 -30.769 14.778 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.410 -31.502 12.148 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.121 -32.760 11.459 1.00 0.00 C ATOM 1330 C ARG A 84 -1.423 -33.899 12.444 1.00 0.00 C ATOM 1331 O ARG A 84 -1.510 -33.664 13.653 1.00 0.00 O ATOM 1332 CB ARG A 84 0.358 -32.840 10.972 1.00 0.00 C ATOM 1333 CG ARG A 84 0.849 -31.631 10.125 1.00 0.00 C ATOM 1334 CD ARG A 84 1.994 -31.991 9.150 1.00 0.00 C ATOM 1335 NE ARG A 84 3.140 -32.655 9.814 1.00 0.00 N ATOM 1336 CZ ARG A 84 3.473 -33.956 9.675 1.00 0.00 C ATOM 1337 NH1 ARG A 84 2.734 -34.779 8.943 1.00 0.00 N ATOM 1338 NH2 ARG A 84 4.551 -34.420 10.278 1.00 0.00 N ATOM 0 H ARG A 84 -0.931 -31.415 13.044 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.740 -32.835 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.005 -32.937 11.844 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.480 -33.748 10.382 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.010 -31.230 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.187 -30.840 10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.606 -32.646 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.343 -31.083 8.659 1.00 0.00 H new ATOM 0 HE ARG A 84 3.724 -32.084 10.425 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.898 -34.432 8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.002 -35.759 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.126 -33.797 10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.809 -35.402 10.178 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.599 -35.124 11.942 1.00 0.00 N ATOM 1353 CA ASN A 85 -1.943 -36.266 12.804 1.00 0.00 C ATOM 1354 C ASN A 85 -0.679 -36.983 13.319 1.00 0.00 C ATOM 1355 O ASN A 85 -0.064 -37.779 12.599 1.00 0.00 O ATOM 1356 CB ASN A 85 -2.868 -37.262 12.058 1.00 0.00 C ATOM 1357 CG ASN A 85 -3.450 -38.338 12.987 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -3.847 -37.936 14.194 1.00 0.00 O flip ATOM 1359 ND2 ASN A 85 -3.576 -39.500 12.610 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.511 -35.353 10.952 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.482 -35.876 13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.684 -36.712 11.589 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.306 -37.744 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.260 -39.771 11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.996 -40.194 13.228 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.288 -36.673 14.564 1.00 0.00 N ATOM 1367 CA PHE A 86 0.794 -37.373 15.274 1.00 0.00 C ATOM 1368 C PHE A 86 0.166 -38.333 16.308 1.00 0.00 C ATOM 1369 O PHE A 86 -0.637 -37.888 17.130 1.00 0.00 O ATOM 1370 CB PHE A 86 1.732 -36.358 15.984 1.00 0.00 C ATOM 1371 CG PHE A 86 2.715 -35.614 15.072 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.270 -34.755 14.071 1.00 0.00 C ATOM 1373 CD2 PHE A 86 4.090 -35.764 15.231 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.158 -34.072 13.267 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.982 -35.081 14.425 1.00 0.00 C ATOM 1376 CZ PHE A 86 4.513 -34.234 13.443 1.00 0.00 C ATOM 0 H PHE A 86 -0.716 -35.925 15.110 1.00 0.00 H new ATOM 0 HA PHE A 86 1.392 -37.937 14.558 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.116 -35.622 16.501 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.302 -36.889 16.746 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.209 -34.621 13.921 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.466 -36.425 15.997 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.789 -33.409 12.498 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.045 -35.211 14.564 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.208 -33.699 12.813 1.00 0.00 H new ATOM 1386 N PRO A 87 0.508 -39.666 16.275 1.00 0.00 N ATOM 1387 CA PRO A 87 -0.051 -40.675 17.224 1.00 0.00 C ATOM 1388 C PRO A 87 0.341 -40.428 18.708 1.00 0.00 C ATOM 1389 O PRO A 87 -0.283 -40.991 19.616 1.00 0.00 O ATOM 1390 CB PRO A 87 0.535 -42.019 16.700 1.00 0.00 C ATOM 1391 CG PRO A 87 1.777 -41.625 15.963 1.00 0.00 C ATOM 1392 CD PRO A 87 1.439 -40.307 15.303 1.00 0.00 C ATOM 0 HA PRO A 87 -1.140 -40.644 17.243 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.760 -42.701 17.520 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.170 -42.531 16.045 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.623 -41.521 16.643 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.053 -42.377 15.224 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.329 -39.700 15.138 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.968 -40.453 14.331 1.00 0.00 H new ATOM 1400 N GLU A 88 1.369 -39.587 18.943 1.00 0.00 N ATOM 1401 CA GLU A 88 1.877 -39.293 20.311 1.00 0.00 C ATOM 1402 C GLU A 88 1.074 -38.160 20.989 1.00 0.00 C ATOM 1403 O GLU A 88 1.268 -37.888 22.182 1.00 0.00 O ATOM 1404 CB GLU A 88 3.403 -38.953 20.305 1.00 0.00 C ATOM 1405 CG GLU A 88 3.831 -37.738 19.424 1.00 0.00 C ATOM 1406 CD GLU A 88 4.365 -38.118 18.028 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.666 -38.825 17.283 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.494 -37.719 17.674 1.00 0.00 O ATOM 0 H GLU A 88 1.870 -39.094 18.203 1.00 0.00 H new ATOM 0 HA GLU A 88 1.738 -40.202 20.896 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.716 -38.760 21.331 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.949 -39.833 19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.976 -37.073 19.303 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.600 -37.175 19.953 1.00 0.00 H new ATOM 1415 N GLY A 89 0.193 -37.488 20.222 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.736 -36.497 20.782 1.00 0.00 C ATOM 1417 C GLY A 89 -1.567 -35.829 19.697 1.00 0.00 C ATOM 1418 O GLY A 89 -2.223 -36.525 18.919 1.00 0.00 O ATOM 0 H GLY A 89 0.108 -37.616 19.214 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.397 -36.983 21.500 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.174 -35.739 21.328 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.573 -34.482 19.665 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.213 -33.712 18.597 1.00 0.00 C ATOM 1424 C LYS A 90 -1.359 -33.726 17.305 1.00 0.00 C ATOM 1425 O LYS A 90 -1.608 -34.554 16.419 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.513 -32.278 19.100 1.00 0.00 C ATOM 1427 CG LYS A 90 -3.160 -31.317 18.070 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.475 -31.841 17.463 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.481 -32.316 18.526 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.801 -32.654 17.951 1.00 0.00 N ATOM 0 H LYS A 90 -1.133 -33.904 20.381 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.162 -34.179 18.334 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.172 -32.348 19.965 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.580 -31.833 19.446 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.351 -30.359 18.553 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.449 -31.132 17.265 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.932 -31.053 16.865 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.253 -32.666 16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.077 -33.190 19.038 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.605 -31.536 19.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.440 -32.968 18.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.202 -31.815 17.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.691 -33.417 17.253 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.346 -32.834 17.201 1.00 0.00 N ATOM 1445 CA GLY A 91 0.523 -32.794 16.018 1.00 0.00 C ATOM 1446 C GLY A 91 0.525 -31.465 15.287 1.00 0.00 C ATOM 1447 O GLY A 91 0.776 -31.407 14.078 1.00 0.00 O ATOM 0 H GLY A 91 -0.118 -32.143 17.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.543 -33.029 16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.210 -33.575 15.326 1.00 0.00 H new ATOM 1451 N GLU A 92 0.291 -30.392 16.030 1.00 0.00 N ATOM 1452 CA GLU A 92 0.100 -29.047 15.472 1.00 0.00 C ATOM 1453 C GLU A 92 1.470 -28.315 15.364 1.00 0.00 C ATOM 1454 O GLU A 92 1.969 -27.721 16.314 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.971 -28.271 16.338 1.00 0.00 C ATOM 1456 CG GLU A 92 -0.572 -27.797 17.781 1.00 0.00 C ATOM 1457 CD GLU A 92 0.201 -28.817 18.663 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.275 -29.943 18.859 1.00 0.00 O ATOM 1459 OE2 GLU A 92 1.292 -28.490 19.154 1.00 0.00 O ATOM 0 H GLU A 92 0.227 -30.424 17.047 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.293 -29.100 14.457 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.278 -27.390 15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.848 -28.911 16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.037 -26.898 17.687 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.482 -27.512 18.309 1.00 0.00 H new ATOM 1466 N VAL A 93 2.048 -28.315 14.151 1.00 0.00 N ATOM 1467 CA VAL A 93 3.459 -27.948 13.928 1.00 0.00 C ATOM 1468 C VAL A 93 3.587 -26.520 13.352 1.00 0.00 C ATOM 1469 O VAL A 93 2.800 -26.106 12.493 1.00 0.00 O ATOM 1470 CB VAL A 93 4.155 -29.007 12.980 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.122 -30.415 13.622 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.518 -29.043 11.563 1.00 0.00 C ATOM 0 H VAL A 93 1.551 -28.569 13.297 1.00 0.00 H new ATOM 0 HA VAL A 93 3.969 -27.955 14.891 1.00 0.00 H new ATOM 0 HB VAL A 93 5.192 -28.693 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.605 -31.130 12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.650 -30.393 14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.087 -30.715 13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.031 -29.785 10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.464 -29.307 11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.612 -28.062 11.097 1.00 0.00 H new ATOM 1482 N ASP A 94 4.572 -25.761 13.884 1.00 0.00 N ATOM 1483 CA ASP A 94 4.842 -24.370 13.468 1.00 0.00 C ATOM 1484 C ASP A 94 5.636 -24.368 12.151 1.00 0.00 C ATOM 1485 O ASP A 94 6.759 -24.859 12.115 1.00 0.00 O ATOM 1486 CB ASP A 94 5.643 -23.609 14.555 1.00 0.00 C ATOM 1487 CG ASP A 94 4.939 -23.575 15.921 1.00 0.00 C ATOM 1488 OD1 ASP A 94 4.102 -22.677 16.155 1.00 0.00 O ATOM 1489 OD2 ASP A 94 5.210 -24.450 16.769 1.00 0.00 O ATOM 0 H ASP A 94 5.201 -26.098 14.613 1.00 0.00 H new ATOM 0 HA ASP A 94 3.887 -23.865 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.620 -24.077 14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.817 -22.587 14.219 1.00 0.00 H new ATOM 1494 N VAL A 95 5.023 -23.849 11.081 1.00 0.00 N ATOM 1495 CA VAL A 95 5.612 -23.747 9.731 1.00 0.00 C ATOM 1496 C VAL A 95 5.683 -22.253 9.318 1.00 0.00 C ATOM 1497 O VAL A 95 4.949 -21.419 9.860 1.00 0.00 O ATOM 1498 CB VAL A 95 4.722 -24.559 8.703 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.336 -24.628 7.287 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.392 -25.967 9.246 1.00 0.00 C ATOM 0 H VAL A 95 4.075 -23.476 11.127 1.00 0.00 H new ATOM 0 HA VAL A 95 6.618 -24.166 9.732 1.00 0.00 H new ATOM 0 HB VAL A 95 3.789 -24.005 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.677 -25.198 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.455 -23.619 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.309 -25.116 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.780 -26.503 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.317 -26.517 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.845 -25.876 10.185 1.00 0.00 H new ATOM 1510 N ALA A 96 6.597 -21.918 8.392 1.00 0.00 N ATOM 1511 CA ALA A 96 6.670 -20.586 7.767 1.00 0.00 C ATOM 1512 C ALA A 96 6.584 -20.749 6.242 1.00 0.00 C ATOM 1513 O ALA A 96 7.534 -21.228 5.607 1.00 0.00 O ATOM 1514 CB ALA A 96 7.964 -19.862 8.178 1.00 0.00 C ATOM 0 H ALA A 96 7.309 -22.566 8.054 1.00 0.00 H new ATOM 0 HA ALA A 96 5.836 -19.974 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.998 -18.880 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.987 -19.744 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.826 -20.448 7.859 1.00 0.00 H new ATOM 1520 N CYS A 97 5.423 -20.392 5.669 1.00 0.00 N ATOM 1521 CA CYS A 97 5.182 -20.477 4.226 1.00 0.00 C ATOM 1522 C CYS A 97 5.423 -19.095 3.588 1.00 0.00 C ATOM 1523 O CYS A 97 4.665 -18.145 3.806 1.00 0.00 O ATOM 1524 CB CYS A 97 3.759 -21.018 3.946 1.00 0.00 C ATOM 1525 SG CYS A 97 2.410 -20.107 4.728 1.00 0.00 S ATOM 0 H CYS A 97 4.626 -20.036 6.197 1.00 0.00 H new ATOM 0 HA CYS A 97 5.879 -21.182 3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.596 -21.019 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.713 -22.056 4.277 1.00 0.00 H new ATOM 0 HG CYS A 97 2.881 -19.385 5.702 1.00 0.00 H new ATOM 1531 N ILE A 98 6.523 -19.002 2.828 1.00 0.00 N ATOM 1532 CA ILE A 98 6.976 -17.767 2.172 1.00 0.00 C ATOM 1533 C ILE A 98 6.569 -17.792 0.680 1.00 0.00 C ATOM 1534 O ILE A 98 7.015 -18.648 -0.077 1.00 0.00 O ATOM 1535 CB ILE A 98 8.541 -17.570 2.364 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.080 -16.361 1.522 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.339 -18.869 2.093 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.560 -16.046 1.704 1.00 0.00 C ATOM 0 H ILE A 98 7.135 -19.798 2.648 1.00 0.00 H new ATOM 0 HA ILE A 98 6.491 -16.909 2.638 1.00 0.00 H new ATOM 0 HB ILE A 98 8.700 -17.327 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.896 -16.564 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.502 -15.474 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.403 -18.680 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.012 -19.648 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.165 -19.196 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.830 -15.195 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.755 -15.805 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.155 -16.912 1.415 1.00 0.00 H new ATOM 1550 N TYR A 99 5.675 -16.869 0.285 1.00 0.00 N ATOM 1551 CA TYR A 99 5.180 -16.746 -1.102 1.00 0.00 C ATOM 1552 C TYR A 99 5.775 -15.493 -1.754 1.00 0.00 C ATOM 1553 O TYR A 99 5.727 -14.414 -1.164 1.00 0.00 O ATOM 1554 CB TYR A 99 3.634 -16.610 -1.138 1.00 0.00 C ATOM 1555 CG TYR A 99 2.861 -17.625 -0.288 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.578 -17.361 1.056 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.399 -18.827 -0.826 1.00 0.00 C ATOM 1558 CE1 TYR A 99 1.862 -18.260 1.828 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.685 -19.730 -0.058 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.420 -19.443 1.266 1.00 0.00 C ATOM 1561 OH TYR A 99 0.702 -20.343 2.029 1.00 0.00 O ATOM 0 H TYR A 99 5.271 -16.182 0.922 1.00 0.00 H new ATOM 0 HA TYR A 99 5.479 -17.646 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.367 -15.607 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.303 -16.702 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.924 -16.439 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.603 -19.057 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.650 -18.038 2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.337 -20.655 -0.493 1.00 0.00 H new ATOM 0 HH TYR A 99 1.108 -20.415 2.918 1.00 0.00 H new ATOM 1571 N GLU A 100 6.293 -15.638 -2.977 1.00 0.00 N ATOM 1572 CA GLU A 100 6.707 -14.503 -3.807 1.00 0.00 C ATOM 1573 C GLU A 100 5.589 -14.186 -4.807 1.00 0.00 C ATOM 1574 O GLU A 100 5.291 -14.984 -5.703 1.00 0.00 O ATOM 1575 CB GLU A 100 8.015 -14.827 -4.569 1.00 0.00 C ATOM 1576 CG GLU A 100 8.499 -13.705 -5.509 1.00 0.00 C ATOM 1577 CD GLU A 100 9.794 -14.056 -6.261 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.884 -13.927 -5.661 1.00 0.00 O ATOM 1579 OE2 GLU A 100 9.726 -14.446 -7.450 1.00 0.00 O ATOM 0 H GLU A 100 6.437 -16.546 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 100 6.892 -13.641 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.800 -15.041 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.865 -15.735 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.715 -13.484 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.660 -12.797 -4.927 1.00 0.00 H new ATOM 1586 N VAL A 101 4.980 -13.017 -4.616 1.00 0.00 N ATOM 1587 CA VAL A 101 3.919 -12.498 -5.479 1.00 0.00 C ATOM 1588 C VAL A 101 4.537 -11.560 -6.533 1.00 0.00 C ATOM 1589 O VAL A 101 5.078 -10.505 -6.195 1.00 0.00 O ATOM 1590 CB VAL A 101 2.842 -11.727 -4.624 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.648 -11.258 -5.496 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.361 -12.589 -3.429 1.00 0.00 C ATOM 0 H VAL A 101 5.214 -12.393 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 101 3.423 -13.329 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 101 3.320 -10.833 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.927 -10.731 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.009 -10.589 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.168 -12.124 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.619 -12.034 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.916 -13.512 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.210 -12.828 -2.788 1.00 0.00 H new ATOM 1602 N GLU A 102 4.472 -11.967 -7.804 1.00 0.00 N ATOM 1603 CA GLU A 102 4.926 -11.158 -8.950 1.00 0.00 C ATOM 1604 C GLU A 102 3.739 -10.900 -9.901 1.00 0.00 C ATOM 1605 O GLU A 102 3.050 -11.845 -10.303 1.00 0.00 O ATOM 1606 CB GLU A 102 6.075 -11.897 -9.681 1.00 0.00 C ATOM 1607 CG GLU A 102 6.609 -11.202 -10.942 1.00 0.00 C ATOM 1608 CD GLU A 102 7.796 -11.943 -11.572 1.00 0.00 C ATOM 1609 OE1 GLU A 102 7.573 -12.913 -12.327 1.00 0.00 O ATOM 1610 OE2 GLU A 102 8.961 -11.568 -11.301 1.00 0.00 O ATOM 0 H GLU A 102 4.099 -12.877 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 102 5.302 -10.196 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.901 -12.029 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.727 -12.893 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.806 -11.122 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.913 -10.186 -10.690 1.00 0.00 H new ATOM 1617 N ASN A 103 3.512 -9.610 -10.246 1.00 0.00 N ATOM 1618 CA ASN A 103 2.423 -9.162 -11.160 1.00 0.00 C ATOM 1619 C ASN A 103 1.015 -9.448 -10.568 1.00 0.00 C ATOM 1620 O ASN A 103 0.044 -9.666 -11.306 1.00 0.00 O ATOM 1621 CB ASN A 103 2.589 -9.814 -12.576 1.00 0.00 C ATOM 1622 CG ASN A 103 3.958 -9.543 -13.215 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.535 -8.471 -13.039 1.00 0.00 O ATOM 1624 ND2 ASN A 103 4.505 -10.529 -13.915 1.00 0.00 N ATOM 0 H ASN A 103 4.083 -8.840 -9.897 1.00 0.00 H new ATOM 0 HA ASN A 103 2.507 -8.081 -11.269 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.443 -10.891 -12.491 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.807 -9.437 -13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.431 -10.410 -14.326 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.999 -11.406 -14.042 1.00 0.00 H new ATOM 1631 N GLY A 104 0.922 -9.401 -9.222 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.333 -9.635 -8.490 1.00 0.00 C ATOM 1633 C GLY A 104 -0.687 -11.118 -8.331 1.00 0.00 C ATOM 1634 O GLY A 104 -1.766 -11.458 -7.825 1.00 0.00 O ATOM 0 H GLY A 104 1.717 -9.199 -8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.257 -9.181 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.147 -9.130 -9.011 1.00 0.00 H new ATOM 1638 N ARG A 105 0.240 -11.994 -8.748 1.00 0.00 N ATOM 1639 CA ARG A 105 0.059 -13.459 -8.766 1.00 0.00 C ATOM 1640 C ARG A 105 1.308 -14.122 -8.177 1.00 0.00 C ATOM 1641 O ARG A 105 2.414 -13.689 -8.460 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.152 -13.953 -10.224 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.493 -13.553 -10.873 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.708 -14.185 -10.167 1.00 0.00 C ATOM 1645 NE ARG A 105 -3.969 -13.922 -10.892 1.00 0.00 N ATOM 1646 CZ ARG A 105 -4.764 -14.861 -11.433 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.437 -16.153 -11.386 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -5.890 -14.498 -12.033 1.00 0.00 N ATOM 0 H ARG A 105 1.155 -11.701 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.817 -13.723 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.660 -13.567 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.072 -15.040 -10.236 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.591 -12.468 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.489 -13.855 -11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.557 -15.261 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.784 -13.791 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.259 -12.949 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.570 -16.444 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.054 -16.851 -11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.147 -13.512 -12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.499 -15.205 -12.446 1.00 0.00 H new ATOM 1662 N ILE A 106 1.131 -15.170 -7.367 1.00 0.00 N ATOM 1663 CA ILE A 106 2.258 -15.885 -6.742 1.00 0.00 C ATOM 1664 C ILE A 106 3.072 -16.639 -7.811 1.00 0.00 C ATOM 1665 O ILE A 106 2.622 -17.649 -8.340 1.00 0.00 O ATOM 1666 CB ILE A 106 1.754 -16.853 -5.612 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.026 -16.022 -4.512 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.907 -17.692 -5.007 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.565 -16.813 -3.318 1.00 0.00 C ATOM 0 H ILE A 106 0.215 -15.547 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 106 2.915 -15.153 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 106 1.055 -17.563 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.697 -15.234 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.161 -15.532 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.512 -18.347 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.368 -18.295 -5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.654 -17.026 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.071 -16.148 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.135 -17.584 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.424 -17.281 -2.838 1.00 0.00 H new ATOM 1681 N ALA A 107 4.258 -16.089 -8.148 1.00 0.00 N ATOM 1682 CA ALA A 107 5.154 -16.645 -9.180 1.00 0.00 C ATOM 1683 C ALA A 107 5.940 -17.847 -8.642 1.00 0.00 C ATOM 1684 O ALA A 107 6.306 -18.751 -9.402 1.00 0.00 O ATOM 1685 CB ALA A 107 6.119 -15.558 -9.686 1.00 0.00 C ATOM 0 H ALA A 107 4.621 -15.243 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 107 4.540 -16.990 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.775 -15.980 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.547 -14.735 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.719 -15.188 -8.854 1.00 0.00 H new ATOM 1691 N LYS A 108 6.211 -17.826 -7.326 1.00 0.00 N ATOM 1692 CA LYS A 108 6.909 -18.912 -6.613 1.00 0.00 C ATOM 1693 C LYS A 108 6.408 -18.965 -5.168 1.00 0.00 C ATOM 1694 O LYS A 108 6.015 -17.944 -4.610 1.00 0.00 O ATOM 1695 CB LYS A 108 8.454 -18.717 -6.613 1.00 0.00 C ATOM 1696 CG LYS A 108 9.149 -18.920 -7.976 1.00 0.00 C ATOM 1697 CD LYS A 108 10.680 -18.750 -7.897 1.00 0.00 C ATOM 1698 CE LYS A 108 11.376 -19.006 -9.244 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.851 -18.856 -9.144 1.00 0.00 N ATOM 0 H LYS A 108 5.950 -17.048 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 108 6.693 -19.845 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.676 -17.711 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.890 -19.412 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 108 8.918 -19.917 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.745 -18.207 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.912 -17.740 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.080 -19.436 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.136 -20.011 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.990 -18.311 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.282 -19.037 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.082 -17.889 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.223 -19.537 -8.451 1.00 0.00 H new ATOM 1713 N ALA A 109 6.464 -20.154 -4.569 1.00 0.00 N ATOM 1714 CA ALA A 109 6.032 -20.397 -3.191 1.00 0.00 C ATOM 1715 C ALA A 109 6.929 -21.470 -2.575 1.00 0.00 C ATOM 1716 O ALA A 109 7.267 -22.454 -3.228 1.00 0.00 O ATOM 1717 CB ALA A 109 4.556 -20.825 -3.142 1.00 0.00 C ATOM 0 H ALA A 109 6.817 -20.990 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 109 6.120 -19.474 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.262 -20.999 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.935 -20.038 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.424 -21.742 -3.716 1.00 0.00 H new ATOM 1723 N TRP A 110 7.325 -21.245 -1.327 1.00 0.00 N ATOM 1724 CA TRP A 110 8.215 -22.129 -0.564 1.00 0.00 C ATOM 1725 C TRP A 110 7.619 -22.272 0.846 1.00 0.00 C ATOM 1726 O TRP A 110 6.927 -21.358 1.312 1.00 0.00 O ATOM 1727 CB TRP A 110 9.656 -21.514 -0.481 1.00 0.00 C ATOM 1728 CG TRP A 110 10.190 -20.938 -1.783 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.782 -21.617 -2.804 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.180 -19.557 -2.190 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.120 -20.766 -3.816 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.769 -19.494 -3.463 1.00 0.00 C ATOM 1733 CE3 TRP A 110 9.726 -18.377 -1.603 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 10.917 -18.303 -4.156 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 9.872 -17.191 -2.289 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.463 -17.164 -3.556 1.00 0.00 C ATOM 0 H TRP A 110 7.031 -20.423 -0.800 1.00 0.00 H new ATOM 0 HA TRP A 110 8.296 -23.101 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.655 -20.726 0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.344 -22.286 -0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.960 -22.682 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.563 -21.036 -4.694 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.267 -18.392 -0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.374 -18.277 -5.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.526 -16.271 -1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.563 -16.220 -4.072 1.00 0.00 H new ATOM 1747 N PHE A 111 7.851 -23.406 1.519 1.00 0.00 N ATOM 1748 CA PHE A 111 7.483 -23.549 2.943 1.00 0.00 C ATOM 1749 C PHE A 111 8.550 -24.363 3.671 1.00 0.00 C ATOM 1750 O PHE A 111 9.166 -25.272 3.089 1.00 0.00 O ATOM 1751 CB PHE A 111 6.059 -24.170 3.135 1.00 0.00 C ATOM 1752 CG PHE A 111 5.949 -25.691 2.961 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.755 -26.267 1.705 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.027 -26.548 4.070 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.645 -27.641 1.565 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.920 -27.916 3.929 1.00 0.00 C ATOM 1757 CZ PHE A 111 5.729 -28.466 2.677 1.00 0.00 C ATOM 0 H PHE A 111 8.287 -24.233 1.110 1.00 0.00 H new ATOM 0 HA PHE A 111 7.437 -22.551 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.706 -23.914 4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.381 -23.695 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.690 -25.635 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.174 -26.128 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.493 -28.071 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.986 -28.556 4.797 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.645 -29.537 2.564 1.00 0.00 H new ATOM 1767 N LYS A 112 8.768 -24.022 4.943 1.00 0.00 N ATOM 1768 CA LYS A 112 9.693 -24.740 5.820 1.00 0.00 C ATOM 1769 C LYS A 112 8.999 -25.051 7.154 1.00 0.00 C ATOM 1770 O LYS A 112 8.486 -24.146 7.820 1.00 0.00 O ATOM 1771 CB LYS A 112 10.995 -23.915 6.018 1.00 0.00 C ATOM 1772 CG LYS A 112 10.804 -22.495 6.611 1.00 0.00 C ATOM 1773 CD LYS A 112 12.120 -21.682 6.667 1.00 0.00 C ATOM 1774 CE LYS A 112 13.224 -22.384 7.482 1.00 0.00 C ATOM 1775 NZ LYS A 112 14.483 -21.601 7.518 1.00 0.00 N ATOM 0 H LYS A 112 8.304 -23.234 5.396 1.00 0.00 H new ATOM 0 HA LYS A 112 9.978 -25.687 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.663 -24.476 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.496 -23.823 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.073 -21.952 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.392 -22.579 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.478 -21.510 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.919 -20.704 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.872 -22.548 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.422 -23.366 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.195 -22.113 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.836 -21.466 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.303 -20.674 7.953 1.00 0.00 H new ATOM 1789 N ILE A 113 8.985 -26.340 7.547 1.00 0.00 N ATOM 1790 CA ILE A 113 8.377 -26.775 8.813 1.00 0.00 C ATOM 1791 C ILE A 113 9.446 -26.656 9.900 1.00 0.00 C ATOM 1792 O ILE A 113 10.543 -27.207 9.763 1.00 0.00 O ATOM 1793 CB ILE A 113 7.818 -28.251 8.743 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.601 -28.329 7.760 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.416 -28.787 10.153 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.067 -29.733 7.508 1.00 0.00 C ATOM 0 H ILE A 113 9.391 -27.099 7.000 1.00 0.00 H new ATOM 0 HA ILE A 113 7.518 -26.141 9.033 1.00 0.00 H new ATOM 0 HB ILE A 113 8.619 -28.888 8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.793 -27.715 8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.895 -27.892 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.037 -29.805 10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.289 -28.783 10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.642 -28.148 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.227 -29.684 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.856 -30.350 7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.736 -30.171 8.450 1.00 0.00 H new ATOM 1808 N GLY A 114 9.108 -25.895 10.944 1.00 0.00 N ATOM 1809 CA GLY A 114 10.018 -25.611 12.056 1.00 0.00 C ATOM 1810 C GLY A 114 10.456 -26.864 12.809 1.00 0.00 C ATOM 1811 O GLY A 114 11.634 -27.241 12.765 1.00 0.00 O ATOM 0 H GLY A 114 8.192 -25.457 11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.900 -25.098 11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.529 -24.929 12.752 1.00 0.00 H new ATOM 1815 N GLU A 115 9.489 -27.518 13.476 1.00 0.00 N ATOM 1816 CA GLU A 115 9.738 -28.746 14.257 1.00 0.00 C ATOM 1817 C GLU A 115 8.402 -29.509 14.451 1.00 0.00 C ATOM 1818 O GLU A 115 7.333 -28.947 14.174 1.00 0.00 O ATOM 1819 CB GLU A 115 10.357 -28.378 15.640 1.00 0.00 C ATOM 1820 CG GLU A 115 9.348 -27.783 16.639 1.00 0.00 C ATOM 1821 CD GLU A 115 9.995 -27.318 17.950 1.00 0.00 C ATOM 1822 OE1 GLU A 115 10.501 -26.177 17.995 1.00 0.00 O ATOM 1823 OE2 GLU A 115 9.999 -28.084 18.938 1.00 0.00 O ATOM 0 H GLU A 115 8.516 -27.213 13.490 1.00 0.00 H new ATOM 0 HA GLU A 115 10.440 -29.385 13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.801 -29.272 16.077 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.165 -27.663 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.840 -26.939 16.173 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.586 -28.529 16.863 1.00 0.00 H new ATOM 1830 N PRO A 116 8.436 -30.797 14.922 1.00 0.00 N ATOM 1831 CA PRO A 116 7.227 -31.495 15.428 1.00 0.00 C ATOM 1832 C PRO A 116 6.748 -30.931 16.793 1.00 0.00 C ATOM 1833 O PRO A 116 7.562 -30.626 17.672 1.00 0.00 O ATOM 1834 CB PRO A 116 7.695 -32.960 15.541 1.00 0.00 C ATOM 1835 CG PRO A 116 9.171 -32.873 15.774 1.00 0.00 C ATOM 1836 CD PRO A 116 9.632 -31.699 14.942 1.00 0.00 C ATOM 0 HA PRO A 116 6.363 -31.370 14.775 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.194 -33.473 16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.470 -33.518 14.632 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.395 -32.720 16.830 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.673 -33.792 15.471 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.498 -31.208 15.385 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.920 -32.007 13.937 1.00 0.00 H new ATOM 1844 N ARG A 117 5.421 -30.774 16.949 1.00 0.00 N ATOM 1845 CA ARG A 117 4.797 -30.168 18.151 1.00 0.00 C ATOM 1846 C ARG A 117 3.575 -30.987 18.619 1.00 0.00 C ATOM 1847 O ARG A 117 2.842 -31.533 17.798 1.00 0.00 O ATOM 1848 CB ARG A 117 4.337 -28.730 17.833 1.00 0.00 C ATOM 1849 CG ARG A 117 5.442 -27.686 17.594 1.00 0.00 C ATOM 1850 CD ARG A 117 6.226 -27.348 18.874 1.00 0.00 C ATOM 1851 NE ARG A 117 6.971 -26.089 18.725 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.576 -25.427 19.717 1.00 0.00 C ATOM 1853 NH1 ARG A 117 7.586 -25.899 20.952 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.177 -24.286 19.458 1.00 0.00 N ATOM 0 H ARG A 117 4.743 -31.064 16.244 1.00 0.00 H new ATOM 0 HA ARG A 117 5.543 -30.160 18.946 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.704 -28.764 16.946 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.714 -28.383 18.657 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.132 -28.060 16.838 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.996 -26.775 17.195 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.537 -27.269 19.715 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.918 -28.158 19.104 1.00 0.00 H new ATOM 0 HE ARG A 117 7.031 -25.688 17.789 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.126 -26.785 21.163 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.054 -25.377 21.694 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.178 -23.914 18.508 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.642 -23.773 20.207 1.00 0.00 H new ATOM 1868 N ILE A 118 3.361 -31.020 19.950 1.00 0.00 N ATOM 1869 CA ILE A 118 2.203 -31.673 20.606 1.00 0.00 C ATOM 1870 C ILE A 118 1.679 -30.738 21.714 1.00 0.00 C ATOM 1871 O ILE A 118 2.484 -30.249 22.505 1.00 0.00 O ATOM 1872 CB ILE A 118 2.604 -33.075 21.233 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.032 -34.093 20.131 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.472 -33.668 22.102 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.952 -34.420 19.117 1.00 0.00 C ATOM 0 H ILE A 118 4.000 -30.585 20.615 1.00 0.00 H new ATOM 0 HA ILE A 118 1.431 -31.855 19.859 1.00 0.00 H new ATOM 0 HB ILE A 118 3.460 -32.891 21.882 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.898 -33.694 19.603 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.351 -35.017 20.613 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.791 -34.627 22.510 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.244 -32.984 22.919 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.581 -33.812 21.490 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.339 -35.134 18.391 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.092 -34.852 19.628 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.648 -33.508 18.603 1.00 0.00 H new ATOM 1887 N VAL A 119 0.338 -30.518 21.767 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.320 -29.612 22.769 1.00 0.00 C ATOM 1889 C VAL A 119 0.079 -29.968 24.219 1.00 0.00 C ATOM 1890 O VAL A 119 0.403 -29.081 25.017 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.902 -29.632 22.657 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.575 -28.747 23.747 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.374 -29.189 21.258 1.00 0.00 C ATOM 0 H VAL A 119 -0.321 -30.957 21.124 1.00 0.00 H new ATOM 0 HA VAL A 119 0.037 -28.610 22.531 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.210 -30.665 22.820 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.658 -28.790 23.633 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.299 -29.115 24.735 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.239 -27.716 23.637 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.463 -29.214 21.216 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.027 -28.175 21.061 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.966 -29.864 20.506 1.00 0.00 H new