USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.125 (180deg=-1.47!) USER MOD Single : A 6 MET CE :methyl -178:sc= 0 (180deg=-0.00379) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.479 F(o=-1.1,f=-0.48) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.3) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -86:sc= -0.218! USER MOD Single : A 22 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.4) USER MOD Single : A 25 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-1.9!) USER MOD Single : A 27 SER OG : rot 110:sc= 0.0949 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.2) USER MOD Single : A 34 GLN : amide:sc= -11.5! C(o=-11!,f=-19!) USER MOD Single : A 45 MET CE :methyl 147:sc= -0.0524 (180deg=-0.38) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= -5.93! (180deg=-8.15!) USER MOD Single : A 51 GLN : amide:sc= -2.76 K(o=-2.8,f=-9!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.7) USER MOD Single : A 68 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= -0.0462 (180deg=-1.68!) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.664 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= -0.028 (180deg=-0.177) USER MOD Single : A 87 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.9!) USER MOD Single : A 92 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.61) USER MOD Single : A 93 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.03) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.461 K(o=0.46,f=-3.5!) USER MOD Single : A 97 HIS : no HD1:sc= -0.508 K(o=-0.51,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 1.516 1.040 -2.220 1.00 0.00 C ATOM 4 O MET A 1 0.841 1.982 -1.809 1.00 0.00 O ATOM 5 CB MET A 1 2.002 -1.388 -1.884 1.00 0.00 C ATOM 6 CG MET A 1 2.227 -2.484 -0.841 1.00 0.00 C ATOM 7 SD MET A 1 3.322 -3.733 -1.494 1.00 0.00 S ATOM 8 CE MET A 1 3.990 -4.386 0.028 1.00 0.00 C ATOM 0 H1 MET A 1 1.963 -0.232 0.788 1.00 0.00 H new ATOM 0 H2 MET A 1 0.910 0.941 0.156 1.00 0.00 H new ATOM 0 H3 MET A 1 0.566 -0.709 -0.051 1.00 0.00 H new ATOM 0 HA MET A 1 3.109 0.255 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.030 -1.525 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.753 -1.469 -2.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.653 -2.053 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.274 -2.934 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.698 -5.183 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.500 -3.591 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.180 -4.783 0.640 1.00 0.00 H new ATOM 18 N ILE A 2 1.820 0.833 -3.493 1.00 0.00 N ATOM 19 CA ILE A 2 1.358 1.741 -4.529 1.00 0.00 C ATOM 20 C ILE A 2 2.205 3.015 -4.500 1.00 0.00 C ATOM 21 O ILE A 2 1.846 3.987 -3.838 1.00 0.00 O ATOM 22 CB ILE A 2 -0.144 1.997 -4.386 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.904 0.689 -4.157 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.685 2.772 -5.590 1.00 0.00 C ATOM 25 CD1 ILE A 2 -2.031 0.881 -3.140 1.00 0.00 C ATOM 0 H ILE A 2 2.380 0.050 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 2 1.489 1.293 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.302 2.619 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.318 0.334 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.216 -0.078 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.754 2.941 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.173 3.731 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.514 2.197 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.555 -0.064 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.611 1.212 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.730 1.631 -3.509 1.00 0.00 H new ATOM 37 N GLU A 3 3.312 2.968 -5.226 1.00 0.00 N ATOM 38 CA GLU A 3 4.213 4.106 -5.292 1.00 0.00 C ATOM 39 C GLU A 3 5.182 3.949 -6.465 1.00 0.00 C ATOM 40 O GLU A 3 6.005 3.035 -6.477 1.00 0.00 O ATOM 41 CB GLU A 3 4.971 4.282 -3.974 1.00 0.00 C ATOM 42 CG GLU A 3 5.213 2.932 -3.297 1.00 0.00 C ATOM 43 CD GLU A 3 4.445 2.834 -1.977 1.00 0.00 C ATOM 44 OE1 GLU A 3 3.211 2.964 -1.967 1.00 0.00 O ATOM 45 OE2 GLU A 3 5.174 2.614 -0.937 1.00 0.00 O ATOM 0 H GLU A 3 3.606 2.159 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 3 3.619 5.006 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.925 4.775 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.403 4.931 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.903 2.127 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.279 2.800 -3.112 1.00 0.00 H new ATOM 53 N ASP A 4 5.052 4.855 -7.424 1.00 0.00 N ATOM 54 CA ASP A 4 5.906 4.828 -8.599 1.00 0.00 C ATOM 55 C ASP A 4 5.401 5.855 -9.614 1.00 0.00 C ATOM 56 O ASP A 4 4.661 5.512 -10.534 1.00 0.00 O ATOM 57 CB ASP A 4 5.882 3.452 -9.267 1.00 0.00 C ATOM 58 CG ASP A 4 6.502 3.400 -10.664 1.00 0.00 C ATOM 59 OD1 ASP A 4 7.272 4.290 -11.055 1.00 0.00 O ATOM 60 OD2 ASP A 4 6.162 2.378 -11.374 1.00 0.00 O ATOM 0 H ASP A 4 4.368 5.612 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 4 6.923 5.056 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.408 2.745 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.848 3.115 -9.332 1.00 0.00 H new ATOM 66 N PRO A 5 5.833 7.128 -9.407 1.00 0.00 N ATOM 67 CA PRO A 5 5.433 8.208 -10.293 1.00 0.00 C ATOM 68 C PRO A 5 6.185 8.132 -11.624 1.00 0.00 C ATOM 69 O PRO A 5 7.335 7.698 -11.667 1.00 0.00 O ATOM 70 CB PRO A 5 5.724 9.482 -9.518 1.00 0.00 C ATOM 71 CG PRO A 5 6.702 9.089 -8.422 1.00 0.00 C ATOM 72 CD PRO A 5 6.710 7.572 -8.328 1.00 0.00 C ATOM 0 HA PRO A 5 4.380 8.158 -10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.152 10.245 -10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.810 9.899 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.700 9.463 -8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.406 9.529 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.717 7.173 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.346 7.234 -7.358 1.00 0.00 H new ATOM 80 N MET A 6 5.505 8.562 -12.676 1.00 0.00 N ATOM 81 CA MET A 6 6.094 8.549 -14.004 1.00 0.00 C ATOM 82 C MET A 6 5.295 9.429 -14.968 1.00 0.00 C ATOM 83 O MET A 6 5.766 10.487 -15.383 1.00 0.00 O ATOM 84 CB MET A 6 6.129 7.114 -14.533 1.00 0.00 C ATOM 85 CG MET A 6 7.401 6.393 -14.080 1.00 0.00 C ATOM 86 SD MET A 6 7.832 5.120 -15.254 1.00 0.00 S ATOM 87 CE MET A 6 8.756 4.021 -14.194 1.00 0.00 C ATOM 0 H MET A 6 4.551 8.922 -12.636 1.00 0.00 H new ATOM 0 HA MET A 6 7.107 8.945 -13.935 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.253 6.571 -14.179 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.080 7.123 -15.622 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.220 7.106 -13.988 1.00 0.00 H new ATOM 0 HG3 MET A 6 7.248 5.954 -13.094 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.133 3.182 -14.779 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.594 4.561 -13.752 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.107 3.648 -13.402 1.00 0.00 H new ATOM 97 N GLU A 7 4.101 8.959 -15.296 1.00 0.00 N ATOM 98 CA GLU A 7 3.232 9.690 -16.202 1.00 0.00 C ATOM 99 C GLU A 7 2.083 8.796 -16.673 1.00 0.00 C ATOM 100 O GLU A 7 1.767 8.759 -17.862 1.00 0.00 O ATOM 101 CB GLU A 7 4.021 10.242 -17.392 1.00 0.00 C ATOM 102 CG GLU A 7 5.136 9.279 -17.804 1.00 0.00 C ATOM 103 CD GLU A 7 5.146 9.068 -19.319 1.00 0.00 C ATOM 104 OE1 GLU A 7 5.359 10.025 -20.077 1.00 0.00 O ATOM 105 OE2 GLU A 7 4.922 7.856 -19.701 1.00 0.00 O ATOM 0 H GLU A 7 3.715 8.081 -14.950 1.00 0.00 H new ATOM 0 HA GLU A 7 2.809 10.538 -15.664 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.349 10.407 -18.234 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.449 11.210 -17.132 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.100 9.674 -17.482 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.999 8.322 -17.301 1.00 0.00 H new ATOM 113 N ASN A 8 1.490 8.096 -15.717 1.00 0.00 N ATOM 114 CA ASN A 8 0.384 7.204 -16.020 1.00 0.00 C ATOM 115 C ASN A 8 -0.937 7.953 -15.828 1.00 0.00 C ATOM 116 O ASN A 8 -1.996 7.336 -15.727 1.00 0.00 O ATOM 117 CB ASN A 8 0.381 5.993 -15.084 1.00 0.00 C ATOM 118 CG ASN A 8 0.600 6.422 -13.632 1.00 0.00 C ATOM 119 OD1 ASN A 8 -0.485 6.917 -13.044 1.00 0.00 O flip ATOM 120 ND2 ASN A 8 1.684 6.310 -13.082 1.00 0.00 N flip ATOM 0 H ASN A 8 1.755 8.129 -14.732 1.00 0.00 H new ATOM 0 HA ASN A 8 0.497 6.864 -17.050 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.568 5.464 -15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.164 5.296 -15.383 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.477 5.921 -13.592 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.797 6.605 -12.112 1.00 0.00 H new ATOM 127 N ASN A 9 -0.830 9.273 -15.783 1.00 0.00 N ATOM 128 CA ASN A 9 -2.002 10.113 -15.605 1.00 0.00 C ATOM 129 C ASN A 9 -2.648 10.376 -16.967 1.00 0.00 C ATOM 130 O ASN A 9 -3.868 10.311 -17.103 1.00 0.00 O ATOM 131 CB ASN A 9 -1.625 11.463 -14.992 1.00 0.00 C ATOM 132 CG ASN A 9 -2.839 12.129 -14.342 1.00 0.00 C ATOM 133 OD1 ASN A 9 -3.412 13.074 -14.859 1.00 0.00 O ATOM 134 ND2 ASN A 9 -3.198 11.585 -13.183 1.00 0.00 N ATOM 0 H ASN A 9 0.050 9.781 -15.867 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.690 9.594 -14.938 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.841 11.322 -14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.218 12.116 -15.764 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.997 11.958 -12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.674 10.795 -12.807 1.00 0.00 H new ATOM 141 N GLU A 10 -1.799 10.667 -17.942 1.00 0.00 N ATOM 142 CA GLU A 10 -2.271 10.941 -19.289 1.00 0.00 C ATOM 143 C GLU A 10 -3.420 9.997 -19.650 1.00 0.00 C ATOM 144 O GLU A 10 -4.579 10.408 -19.678 1.00 0.00 O ATOM 145 CB GLU A 10 -1.131 10.829 -20.303 1.00 0.00 C ATOM 146 CG GLU A 10 -1.641 11.049 -21.728 1.00 0.00 C ATOM 147 CD GLU A 10 -0.478 11.189 -22.712 1.00 0.00 C ATOM 148 OE1 GLU A 10 -0.275 10.309 -23.562 1.00 0.00 O ATOM 149 OE2 GLU A 10 0.230 12.258 -22.571 1.00 0.00 O ATOM 0 H GLU A 10 -0.787 10.719 -17.826 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.643 11.965 -19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.360 11.564 -20.071 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.667 9.846 -20.227 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.274 10.213 -22.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.260 11.945 -21.762 1.00 0.00 H new ATOM 157 N ILE A 11 -3.059 8.751 -19.917 1.00 0.00 N ATOM 158 CA ILE A 11 -4.045 7.746 -20.275 1.00 0.00 C ATOM 159 C ILE A 11 -5.278 7.907 -19.383 1.00 0.00 C ATOM 160 O ILE A 11 -6.392 7.587 -19.795 1.00 0.00 O ATOM 161 CB ILE A 11 -3.428 6.347 -20.224 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.017 5.981 -18.797 1.00 0.00 C ATOM 163 CG2 ILE A 11 -2.260 6.227 -21.205 1.00 0.00 C ATOM 164 CD1 ILE A 11 -1.739 6.716 -18.388 1.00 0.00 C ATOM 0 H ILE A 11 -2.097 8.414 -19.893 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.375 7.886 -21.304 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.186 5.628 -20.535 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.822 6.233 -18.107 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.861 4.905 -18.725 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.839 5.223 -21.149 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.615 6.416 -22.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.492 6.957 -20.948 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.469 6.438 -17.369 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.930 6.443 -19.065 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.906 7.792 -18.438 1.00 0.00 H new ATOM 176 N GLN A 12 -5.036 8.403 -18.179 1.00 0.00 N ATOM 177 CA GLN A 12 -6.113 8.611 -17.225 1.00 0.00 C ATOM 178 C GLN A 12 -6.966 9.811 -17.640 1.00 0.00 C ATOM 179 O GLN A 12 -8.185 9.698 -17.765 1.00 0.00 O ATOM 180 CB GLN A 12 -5.564 8.792 -15.809 1.00 0.00 C ATOM 181 CG GLN A 12 -6.449 8.082 -14.782 1.00 0.00 C ATOM 182 CD GLN A 12 -6.466 8.842 -13.454 1.00 0.00 C ATOM 183 OE1 GLN A 12 -5.548 8.767 -12.654 1.00 0.00 O ATOM 184 NE2 GLN A 12 -7.559 9.577 -13.266 1.00 0.00 N ATOM 0 H GLN A 12 -4.110 8.667 -17.842 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.746 7.724 -17.223 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.550 8.397 -15.755 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.505 9.854 -15.571 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.464 7.996 -15.169 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.083 7.068 -14.620 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.290 9.595 -13.977 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.666 10.123 -12.411 1.00 0.00 H new ATOM 193 N SER A 13 -6.292 10.933 -17.844 1.00 0.00 N ATOM 194 CA SER A 13 -6.973 12.153 -18.243 1.00 0.00 C ATOM 195 C SER A 13 -7.718 11.930 -19.560 1.00 0.00 C ATOM 196 O SER A 13 -8.722 12.589 -19.829 1.00 0.00 O ATOM 197 CB SER A 13 -5.986 13.314 -18.381 1.00 0.00 C ATOM 198 OG SER A 13 -6.651 14.569 -18.504 1.00 0.00 O ATOM 0 H SER A 13 -5.281 11.023 -17.740 1.00 0.00 H new ATOM 0 HA SER A 13 -7.692 12.413 -17.466 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.328 13.336 -17.512 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.355 13.151 -19.254 1.00 0.00 H new ATOM 0 HG SER A 13 -5.987 15.284 -18.589 1.00 0.00 H new ATOM 204 N VAL A 14 -7.199 10.999 -20.346 1.00 0.00 N ATOM 205 CA VAL A 14 -7.804 10.680 -21.628 1.00 0.00 C ATOM 206 C VAL A 14 -9.016 9.775 -21.405 1.00 0.00 C ATOM 207 O VAL A 14 -10.034 9.917 -22.081 1.00 0.00 O ATOM 208 CB VAL A 14 -6.759 10.062 -22.560 1.00 0.00 C ATOM 209 CG1 VAL A 14 -7.031 8.572 -22.776 1.00 0.00 C ATOM 210 CG2 VAL A 14 -6.704 10.808 -23.894 1.00 0.00 C ATOM 0 H VAL A 14 -6.366 10.455 -20.120 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.162 11.586 -22.117 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.784 10.159 -22.082 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.274 8.157 -23.442 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.996 8.053 -21.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.017 8.443 -23.222 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.954 10.348 -24.537 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.678 10.757 -24.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.441 11.851 -23.717 1.00 0.00 H new ATOM 220 N LEU A 15 -8.868 8.864 -20.454 1.00 0.00 N ATOM 221 CA LEU A 15 -9.938 7.935 -20.134 1.00 0.00 C ATOM 222 C LEU A 15 -11.188 8.723 -19.736 1.00 0.00 C ATOM 223 O LEU A 15 -12.290 8.416 -20.189 1.00 0.00 O ATOM 224 CB LEU A 15 -9.479 6.934 -19.072 1.00 0.00 C ATOM 225 CG LEU A 15 -10.584 6.123 -18.392 1.00 0.00 C ATOM 226 CD1 LEU A 15 -11.261 5.177 -19.386 1.00 0.00 C ATOM 227 CD2 LEU A 15 -10.044 5.379 -17.169 1.00 0.00 C ATOM 0 H LEU A 15 -8.023 8.750 -19.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.200 7.339 -21.008 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.778 6.239 -19.535 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.929 7.477 -18.303 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.347 6.816 -18.037 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.042 4.613 -18.877 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.702 5.756 -20.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.522 4.487 -19.793 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.849 4.810 -16.704 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.251 4.698 -17.478 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.647 6.098 -16.452 1.00 0.00 H new ATOM 239 N MET A 16 -10.976 9.723 -18.893 1.00 0.00 N ATOM 240 CA MET A 16 -12.071 10.556 -18.429 1.00 0.00 C ATOM 241 C MET A 16 -12.457 11.593 -19.486 1.00 0.00 C ATOM 242 O MET A 16 -13.640 11.805 -19.750 1.00 0.00 O ATOM 243 CB MET A 16 -11.660 11.270 -17.140 1.00 0.00 C ATOM 244 CG MET A 16 -12.384 10.678 -15.929 1.00 0.00 C ATOM 245 SD MET A 16 -11.461 9.293 -15.284 1.00 0.00 S ATOM 246 CE MET A 16 -12.556 8.776 -13.971 1.00 0.00 C ATOM 0 H MET A 16 -10.061 9.975 -18.519 1.00 0.00 H new ATOM 0 HA MET A 16 -12.934 9.917 -18.241 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.582 11.185 -17.001 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.888 12.333 -17.220 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.501 11.439 -15.157 1.00 0.00 H new ATOM 0 HG3 MET A 16 -13.386 10.357 -16.215 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.129 7.914 -13.459 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.683 9.593 -13.261 1.00 0.00 H new ATOM 0 HE3 MET A 16 -13.525 8.506 -14.391 1.00 0.00 H new ATOM 256 N ASN A 17 -11.437 12.212 -20.062 1.00 0.00 N ATOM 257 CA ASN A 17 -11.655 13.221 -21.084 1.00 0.00 C ATOM 258 C ASN A 17 -12.594 12.662 -22.155 1.00 0.00 C ATOM 259 O ASN A 17 -13.349 13.409 -22.775 1.00 0.00 O ATOM 260 CB ASN A 17 -10.340 13.609 -21.764 1.00 0.00 C ATOM 261 CG ASN A 17 -9.633 14.726 -20.993 1.00 0.00 C ATOM 262 OD1 ASN A 17 -10.236 15.475 -20.241 1.00 0.00 O ATOM 263 ND2 ASN A 17 -8.325 14.796 -21.221 1.00 0.00 N ATOM 0 H ASN A 17 -10.457 12.034 -19.840 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.086 14.100 -20.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.688 12.738 -21.828 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.537 13.935 -22.785 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.763 15.508 -20.754 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.883 14.138 -21.863 1.00 0.00 H new ATOM 270 N ALA A 18 -12.516 11.353 -22.340 1.00 0.00 N ATOM 271 CA ALA A 18 -13.349 10.685 -23.325 1.00 0.00 C ATOM 272 C ALA A 18 -14.701 10.344 -22.696 1.00 0.00 C ATOM 273 O ALA A 18 -15.741 10.481 -23.339 1.00 0.00 O ATOM 274 CB ALA A 18 -12.623 9.446 -23.853 1.00 0.00 C ATOM 0 H ALA A 18 -11.888 10.736 -21.824 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.537 11.340 -24.176 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.248 8.945 -24.592 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.683 9.745 -24.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.420 8.764 -23.027 1.00 0.00 H new ATOM 280 N LEU A 19 -14.644 9.906 -21.447 1.00 0.00 N ATOM 281 CA LEU A 19 -15.851 9.545 -20.724 1.00 0.00 C ATOM 282 C LEU A 19 -15.534 9.440 -19.231 1.00 0.00 C ATOM 283 O LEU A 19 -15.006 10.379 -18.637 1.00 0.00 O ATOM 284 CB LEU A 19 -16.468 8.275 -21.312 1.00 0.00 C ATOM 285 CG LEU A 19 -15.555 7.048 -21.366 1.00 0.00 C ATOM 286 CD1 LEU A 19 -16.276 5.804 -20.843 1.00 0.00 C ATOM 287 CD2 LEU A 19 -15.000 6.839 -22.777 1.00 0.00 C ATOM 0 H LEU A 19 -13.780 9.793 -20.917 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.608 10.321 -20.836 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.352 8.020 -20.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.808 8.495 -22.324 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.704 7.226 -20.709 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.605 4.947 -20.892 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.580 5.967 -19.809 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.157 5.610 -21.454 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.354 5.961 -22.788 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.825 6.692 -23.474 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.425 7.716 -23.075 1.00 0.00 H new ATOM 299 N SER A 20 -15.870 8.289 -18.666 1.00 0.00 N ATOM 300 CA SER A 20 -15.628 8.049 -17.254 1.00 0.00 C ATOM 301 C SER A 20 -16.186 6.682 -16.852 1.00 0.00 C ATOM 302 O SER A 20 -16.425 5.830 -17.706 1.00 0.00 O ATOM 303 CB SER A 20 -16.251 9.150 -16.393 1.00 0.00 C ATOM 304 OG SER A 20 -16.866 10.163 -17.185 1.00 0.00 O ATOM 0 H SER A 20 -16.308 7.512 -19.161 1.00 0.00 H new ATOM 0 HA SER A 20 -14.551 8.059 -17.086 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.993 8.712 -15.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.481 9.598 -15.765 1.00 0.00 H new ATOM 0 HG SER A 20 -16.194 10.827 -17.446 1.00 0.00 H new ATOM 310 N LEU A 21 -16.376 6.516 -15.552 1.00 0.00 N ATOM 311 CA LEU A 21 -16.901 5.267 -15.026 1.00 0.00 C ATOM 312 C LEU A 21 -16.921 5.330 -13.498 1.00 0.00 C ATOM 313 O LEU A 21 -17.903 4.940 -12.869 1.00 0.00 O ATOM 314 CB LEU A 21 -16.115 4.079 -15.583 1.00 0.00 C ATOM 315 CG LEU A 21 -16.949 2.928 -16.150 1.00 0.00 C ATOM 316 CD1 LEU A 21 -17.020 3.003 -17.677 1.00 0.00 C ATOM 317 CD2 LEU A 21 -16.421 1.577 -15.666 1.00 0.00 C ATOM 0 H LEU A 21 -16.176 7.225 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.931 5.119 -15.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.453 4.443 -16.369 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.480 3.685 -14.789 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.968 3.027 -15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.618 2.174 -18.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.479 3.946 -17.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.014 2.943 -18.091 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.032 0.777 -16.084 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.388 1.452 -15.991 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.466 1.537 -14.578 1.00 0.00 H new ATOM 329 N GLN A 22 -15.823 5.823 -12.944 1.00 0.00 N ATOM 330 CA GLN A 22 -15.701 5.942 -11.501 1.00 0.00 C ATOM 331 C GLN A 22 -14.228 5.927 -11.089 1.00 0.00 C ATOM 332 O GLN A 22 -13.688 6.947 -10.664 1.00 0.00 O ATOM 333 CB GLN A 22 -16.480 4.832 -10.792 1.00 0.00 C ATOM 334 CG GLN A 22 -17.847 5.335 -10.323 1.00 0.00 C ATOM 335 CD GLN A 22 -18.847 4.182 -10.213 1.00 0.00 C ATOM 336 OE1 GLN A 22 -18.989 3.362 -11.106 1.00 0.00 O ATOM 337 NE2 GLN A 22 -19.530 4.165 -9.072 1.00 0.00 N ATOM 0 H GLN A 22 -15.010 6.145 -13.469 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.133 6.896 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.612 3.987 -11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.908 4.471 -9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.745 5.827 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.223 6.082 -11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.362 4.882 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.222 3.435 -8.903 1.00 0.00 H new ATOM 346 N GLU A 23 -13.619 4.759 -11.230 1.00 0.00 N ATOM 347 CA GLU A 23 -12.218 4.598 -10.878 1.00 0.00 C ATOM 348 C GLU A 23 -11.391 4.278 -12.125 1.00 0.00 C ATOM 349 O GLU A 23 -11.945 4.036 -13.197 1.00 0.00 O ATOM 350 CB GLU A 23 -12.042 3.516 -9.811 1.00 0.00 C ATOM 351 CG GLU A 23 -11.850 4.138 -8.426 1.00 0.00 C ATOM 352 CD GLU A 23 -12.259 3.158 -7.324 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.268 2.452 -7.465 1.00 0.00 O ATOM 354 OE2 GLU A 23 -11.484 3.145 -6.292 1.00 0.00 O ATOM 0 H GLU A 23 -14.070 3.915 -11.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.858 5.538 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.915 2.863 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.181 2.894 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.807 4.425 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.444 5.049 -8.347 1.00 0.00 H new ATOM 362 N VAL A 24 -10.079 4.287 -11.944 1.00 0.00 N ATOM 363 CA VAL A 24 -9.170 4.001 -13.041 1.00 0.00 C ATOM 364 C VAL A 24 -8.209 2.886 -12.624 1.00 0.00 C ATOM 365 O VAL A 24 -7.900 2.738 -11.442 1.00 0.00 O ATOM 366 CB VAL A 24 -8.451 5.280 -13.472 1.00 0.00 C ATOM 367 CG1 VAL A 24 -9.399 6.480 -13.438 1.00 0.00 C ATOM 368 CG2 VAL A 24 -7.215 5.533 -12.606 1.00 0.00 C ATOM 0 H VAL A 24 -9.623 4.488 -11.054 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.722 3.646 -13.911 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.117 5.146 -14.501 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.862 7.376 -13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.234 6.303 -14.116 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.777 6.616 -12.425 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.722 6.448 -12.934 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.516 5.636 -11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.525 4.695 -12.703 1.00 0.00 H new ATOM 378 N HIS A 25 -7.762 2.130 -13.616 1.00 0.00 N ATOM 379 CA HIS A 25 -6.842 1.034 -13.367 1.00 0.00 C ATOM 380 C HIS A 25 -5.784 0.991 -14.470 1.00 0.00 C ATOM 381 O HIS A 25 -6.036 0.475 -15.558 1.00 0.00 O ATOM 382 CB HIS A 25 -7.599 -0.288 -13.220 1.00 0.00 C ATOM 383 CG HIS A 25 -7.118 -1.147 -12.076 1.00 0.00 C ATOM 384 ND1 HIS A 25 -7.981 -1.820 -11.229 1.00 0.00 N ATOM 385 CD2 HIS A 25 -5.856 -1.437 -11.648 1.00 0.00 C ATOM 386 CE1 HIS A 25 -7.260 -2.481 -10.335 1.00 0.00 C ATOM 387 NE2 HIS A 25 -5.943 -2.242 -10.596 1.00 0.00 N ATOM 0 H HIS A 25 -8.020 2.255 -14.595 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.325 1.197 -12.422 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.659 -0.074 -13.080 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.508 -0.852 -14.148 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.940 -1.073 -12.090 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.647 -3.100 -9.539 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.155 -2.619 -10.070 1.00 0.00 H new ATOM 395 N VAL A 26 -4.621 1.540 -14.152 1.00 0.00 N ATOM 396 CA VAL A 26 -3.523 1.571 -15.103 1.00 0.00 C ATOM 397 C VAL A 26 -2.469 0.541 -14.692 1.00 0.00 C ATOM 398 O VAL A 26 -1.584 0.838 -13.891 1.00 0.00 O ATOM 399 CB VAL A 26 -2.961 2.991 -15.208 1.00 0.00 C ATOM 400 CG1 VAL A 26 -2.466 3.487 -13.848 1.00 0.00 C ATOM 401 CG2 VAL A 26 -1.850 3.065 -16.257 1.00 0.00 C ATOM 0 H VAL A 26 -4.415 1.967 -13.249 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.873 1.299 -16.099 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.769 3.648 -15.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.072 4.498 -13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.294 3.491 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.679 2.826 -13.484 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.468 4.085 -16.311 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.041 2.389 -15.979 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.248 2.774 -17.229 1.00 0.00 H new ATOM 411 N SER A 27 -2.598 -0.649 -15.260 1.00 0.00 N ATOM 412 CA SER A 27 -1.668 -1.725 -14.963 1.00 0.00 C ATOM 413 C SER A 27 -0.838 -2.057 -16.205 1.00 0.00 C ATOM 414 O SER A 27 -1.260 -1.788 -17.328 1.00 0.00 O ATOM 415 CB SER A 27 -2.407 -2.971 -14.470 1.00 0.00 C ATOM 416 OG SER A 27 -3.820 -2.841 -14.599 1.00 0.00 O ATOM 0 H SER A 27 -3.333 -0.892 -15.925 1.00 0.00 H new ATOM 0 HA SER A 27 -1.002 -1.392 -14.167 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.070 -3.840 -15.036 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.154 -3.153 -13.426 1.00 0.00 H new ATOM 0 HG SER A 27 -4.140 -3.437 -15.308 1.00 0.00 H new ATOM 422 N GLY A 28 0.328 -2.636 -15.960 1.00 0.00 N ATOM 423 CA GLY A 28 1.221 -3.008 -17.044 1.00 0.00 C ATOM 424 C GLY A 28 2.684 -2.914 -16.606 1.00 0.00 C ATOM 425 O GLY A 28 3.064 -3.472 -15.577 1.00 0.00 O ATOM 0 H GLY A 28 0.675 -2.857 -15.027 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.000 -4.024 -17.370 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.051 -2.355 -17.900 1.00 0.00 H new ATOM 429 N ASP A 29 3.465 -2.205 -17.408 1.00 0.00 N ATOM 430 CA ASP A 29 4.878 -2.032 -17.115 1.00 0.00 C ATOM 431 C ASP A 29 5.194 -0.538 -17.020 1.00 0.00 C ATOM 432 O ASP A 29 5.554 -0.043 -15.952 1.00 0.00 O ATOM 433 CB ASP A 29 5.747 -2.629 -18.224 1.00 0.00 C ATOM 434 CG ASP A 29 6.999 -3.362 -17.739 1.00 0.00 C ATOM 435 OD1 ASP A 29 8.114 -2.821 -17.786 1.00 0.00 O ATOM 436 OD2 ASP A 29 6.794 -4.555 -17.292 1.00 0.00 O ATOM 0 H ASP A 29 3.146 -1.744 -18.260 1.00 0.00 H new ATOM 0 HA ASP A 29 5.093 -2.540 -16.175 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.141 -3.323 -18.807 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.051 -1.828 -18.898 1.00 0.00 H new ATOM 442 N GLY A 30 5.049 0.139 -18.149 1.00 0.00 N ATOM 443 CA GLY A 30 5.315 1.566 -18.206 1.00 0.00 C ATOM 444 C GLY A 30 5.041 2.120 -19.606 1.00 0.00 C ATOM 445 O GLY A 30 4.568 3.246 -19.750 1.00 0.00 O ATOM 0 H GLY A 30 4.750 -0.275 -19.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.692 2.085 -17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.353 1.757 -17.932 1.00 0.00 H new ATOM 449 N SER A 31 5.350 1.303 -20.602 1.00 0.00 N ATOM 450 CA SER A 31 5.142 1.696 -21.985 1.00 0.00 C ATOM 451 C SER A 31 3.866 1.050 -22.527 1.00 0.00 C ATOM 452 O SER A 31 3.005 1.735 -23.077 1.00 0.00 O ATOM 453 CB SER A 31 6.342 1.312 -22.853 1.00 0.00 C ATOM 454 OG SER A 31 7.571 1.777 -22.302 1.00 0.00 O ATOM 0 H SER A 31 5.743 0.370 -20.479 1.00 0.00 H new ATOM 0 HA SER A 31 5.035 2.780 -22.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.380 0.228 -22.960 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.213 1.726 -23.853 1.00 0.00 H new ATOM 0 HG SER A 31 8.312 1.510 -22.885 1.00 0.00 H new ATOM 460 N HIS A 32 3.785 -0.261 -22.353 1.00 0.00 N ATOM 461 CA HIS A 32 2.628 -1.007 -22.818 1.00 0.00 C ATOM 462 C HIS A 32 1.816 -1.497 -21.617 1.00 0.00 C ATOM 463 O HIS A 32 2.106 -2.552 -21.056 1.00 0.00 O ATOM 464 CB HIS A 32 3.053 -2.144 -23.750 1.00 0.00 C ATOM 465 CG HIS A 32 3.775 -3.272 -23.052 1.00 0.00 C ATOM 466 ND1 HIS A 32 5.128 -3.231 -22.762 1.00 0.00 N ATOM 467 CD2 HIS A 32 3.318 -4.471 -22.589 1.00 0.00 C ATOM 468 CE1 HIS A 32 5.460 -4.360 -22.153 1.00 0.00 C ATOM 469 NE2 HIS A 32 4.337 -5.127 -22.047 1.00 0.00 N ATOM 0 H HIS A 32 4.501 -0.826 -21.897 1.00 0.00 H new ATOM 0 HA HIS A 32 1.983 -0.354 -23.407 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.168 -2.544 -24.246 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.699 -1.739 -24.529 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.300 -4.826 -22.653 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.446 -4.626 -21.802 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.288 -6.053 -21.621 1.00 0.00 H new ATOM 477 N PHE A 33 0.816 -0.706 -21.258 1.00 0.00 N ATOM 478 CA PHE A 33 -0.040 -1.046 -20.134 1.00 0.00 C ATOM 479 C PHE A 33 -1.517 -0.912 -20.510 1.00 0.00 C ATOM 480 O PHE A 33 -1.857 -0.229 -21.474 1.00 0.00 O ATOM 481 CB PHE A 33 0.280 -0.056 -19.013 1.00 0.00 C ATOM 482 CG PHE A 33 0.642 1.347 -19.506 1.00 0.00 C ATOM 483 CD1 PHE A 33 1.773 1.540 -20.236 1.00 0.00 C ATOM 484 CD2 PHE A 33 -0.166 2.400 -19.213 1.00 0.00 C ATOM 485 CE1 PHE A 33 2.109 2.842 -20.693 1.00 0.00 C ATOM 486 CE2 PHE A 33 0.170 3.702 -19.671 1.00 0.00 C ATOM 487 CZ PHE A 33 1.301 3.895 -20.401 1.00 0.00 C ATOM 0 H PHE A 33 0.579 0.169 -21.725 1.00 0.00 H new ATOM 0 HA PHE A 33 0.138 -2.077 -19.829 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.581 0.015 -18.348 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.108 -0.447 -18.422 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.415 0.703 -20.468 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.063 2.247 -18.632 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.007 2.995 -21.273 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.473 4.539 -19.439 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.557 4.885 -20.749 1.00 0.00 H new ATOM 497 N GLN A 34 -2.356 -1.575 -19.727 1.00 0.00 N ATOM 498 CA GLN A 34 -3.789 -1.539 -19.965 1.00 0.00 C ATOM 499 C GLN A 34 -4.467 -0.584 -18.981 1.00 0.00 C ATOM 500 O GLN A 34 -4.170 -0.603 -17.788 1.00 0.00 O ATOM 501 CB GLN A 34 -4.395 -2.941 -19.874 1.00 0.00 C ATOM 502 CG GLN A 34 -5.830 -2.954 -20.407 1.00 0.00 C ATOM 503 CD GLN A 34 -6.766 -2.176 -19.479 1.00 0.00 C ATOM 504 OE1 GLN A 34 -6.531 -2.041 -18.289 1.00 0.00 O ATOM 505 NE2 GLN A 34 -7.837 -1.675 -20.088 1.00 0.00 N ATOM 0 H GLN A 34 -2.071 -2.140 -18.927 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.960 -1.169 -20.976 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.785 -3.642 -20.444 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.385 -3.279 -18.838 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.855 -2.517 -21.405 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.178 -3.983 -20.501 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.972 -1.826 -21.088 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.523 -1.140 -19.555 1.00 0.00 H new ATOM 514 N VAL A 35 -5.365 0.229 -19.518 1.00 0.00 N ATOM 515 CA VAL A 35 -6.087 1.190 -18.702 1.00 0.00 C ATOM 516 C VAL A 35 -7.550 0.756 -18.586 1.00 0.00 C ATOM 517 O VAL A 35 -8.351 1.017 -19.482 1.00 0.00 O ATOM 518 CB VAL A 35 -5.925 2.596 -19.283 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.843 3.592 -18.572 1.00 0.00 C ATOM 520 CG2 VAL A 35 -4.466 3.051 -19.218 1.00 0.00 C ATOM 0 H VAL A 35 -5.609 0.242 -20.508 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.675 1.220 -17.693 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.218 2.561 -20.332 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.708 4.584 -19.004 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.881 3.281 -18.694 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.595 3.622 -17.511 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.378 4.053 -19.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.134 3.062 -18.180 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.844 2.363 -19.791 1.00 0.00 H new ATOM 530 N ILE A 36 -7.853 0.102 -17.474 1.00 0.00 N ATOM 531 CA ILE A 36 -9.205 -0.370 -17.229 1.00 0.00 C ATOM 532 C ILE A 36 -9.957 0.663 -16.387 1.00 0.00 C ATOM 533 O ILE A 36 -9.531 0.996 -15.282 1.00 0.00 O ATOM 534 CB ILE A 36 -9.180 -1.768 -16.609 1.00 0.00 C ATOM 535 CG1 ILE A 36 -9.731 -2.811 -17.584 1.00 0.00 C ATOM 536 CG2 ILE A 36 -9.921 -1.788 -15.270 1.00 0.00 C ATOM 537 CD1 ILE A 36 -9.340 -4.226 -17.153 1.00 0.00 C ATOM 0 H ILE A 36 -7.185 -0.112 -16.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.749 -0.473 -18.168 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.142 -2.033 -16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.817 -2.729 -17.634 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.350 -2.614 -18.586 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.888 -2.794 -14.851 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.445 -1.092 -14.580 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.959 -1.493 -15.424 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.744 -4.947 -17.863 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.254 -4.312 -17.128 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.743 -4.429 -16.161 1.00 0.00 H new ATOM 549 N ALA A 37 -11.061 1.141 -16.941 1.00 0.00 N ATOM 550 CA ALA A 37 -11.876 2.129 -16.255 1.00 0.00 C ATOM 551 C ALA A 37 -12.810 1.420 -15.272 1.00 0.00 C ATOM 552 O ALA A 37 -13.778 0.782 -15.682 1.00 0.00 O ATOM 553 CB ALA A 37 -12.638 2.966 -17.284 1.00 0.00 C ATOM 0 H ALA A 37 -11.411 0.862 -17.858 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.250 2.811 -15.680 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.249 3.707 -16.769 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.928 3.472 -17.939 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.280 2.316 -17.878 1.00 0.00 H new ATOM 559 N VAL A 38 -12.486 1.556 -13.995 1.00 0.00 N ATOM 560 CA VAL A 38 -13.285 0.937 -12.951 1.00 0.00 C ATOM 561 C VAL A 38 -14.560 1.755 -12.736 1.00 0.00 C ATOM 562 O VAL A 38 -14.567 2.967 -12.946 1.00 0.00 O ATOM 563 CB VAL A 38 -12.452 0.784 -11.677 1.00 0.00 C ATOM 564 CG1 VAL A 38 -13.316 0.296 -10.512 1.00 0.00 C ATOM 565 CG2 VAL A 38 -11.264 -0.153 -11.907 1.00 0.00 C ATOM 0 H VAL A 38 -11.681 2.086 -13.659 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.589 -0.067 -13.248 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.059 1.766 -11.415 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.699 0.196 -9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.113 1.015 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.752 -0.671 -10.762 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.689 -0.244 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.628 -1.136 -12.206 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.628 0.253 -12.693 1.00 0.00 H new ATOM 575 N GLY A 39 -15.608 1.059 -12.322 1.00 0.00 N ATOM 576 CA GLY A 39 -16.886 1.705 -12.077 1.00 0.00 C ATOM 577 C GLY A 39 -18.042 0.718 -12.248 1.00 0.00 C ATOM 578 O GLY A 39 -17.955 -0.428 -11.808 1.00 0.00 O ATOM 0 H GLY A 39 -15.598 0.054 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.901 2.117 -11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.012 2.541 -12.765 1.00 0.00 H new ATOM 582 N GLU A 40 -19.099 1.198 -12.887 1.00 0.00 N ATOM 583 CA GLU A 40 -20.271 0.371 -13.122 1.00 0.00 C ATOM 584 C GLU A 40 -21.098 0.939 -14.277 1.00 0.00 C ATOM 585 O GLU A 40 -22.276 0.617 -14.418 1.00 0.00 O ATOM 586 CB GLU A 40 -21.116 0.246 -11.853 1.00 0.00 C ATOM 587 CG GLU A 40 -21.063 -1.179 -11.298 1.00 0.00 C ATOM 588 CD GLU A 40 -21.493 -1.212 -9.830 1.00 0.00 C ATOM 589 OE1 GLU A 40 -22.698 -1.243 -9.537 1.00 0.00 O ATOM 590 OE2 GLU A 40 -20.524 -1.206 -8.978 1.00 0.00 O ATOM 0 H GLU A 40 -19.168 2.149 -13.249 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.937 -0.629 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -20.755 0.947 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.149 0.517 -12.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -21.714 -1.826 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -20.051 -1.573 -11.393 1.00 0.00 H new ATOM 598 N LEU A 41 -20.447 1.773 -15.075 1.00 0.00 N ATOM 599 CA LEU A 41 -21.107 2.388 -16.214 1.00 0.00 C ATOM 600 C LEU A 41 -21.295 1.342 -17.315 1.00 0.00 C ATOM 601 O LEU A 41 -22.420 0.935 -17.603 1.00 0.00 O ATOM 602 CB LEU A 41 -20.341 3.630 -16.671 1.00 0.00 C ATOM 603 CG LEU A 41 -21.053 4.520 -17.691 1.00 0.00 C ATOM 604 CD1 LEU A 41 -22.416 4.974 -17.165 1.00 0.00 C ATOM 605 CD2 LEU A 41 -20.172 5.704 -18.097 1.00 0.00 C ATOM 0 H LEU A 41 -19.469 2.037 -14.955 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.100 2.739 -15.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.108 4.232 -15.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.391 3.310 -17.099 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.234 3.931 -18.590 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -22.901 5.605 -17.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -23.039 4.102 -16.968 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -22.280 5.539 -16.243 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -20.703 6.320 -18.823 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.937 6.302 -17.216 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.248 5.334 -18.541 1.00 0.00 H new ATOM 617 N PHE A 42 -20.178 0.937 -17.899 1.00 0.00 N ATOM 618 CA PHE A 42 -20.205 -0.054 -18.962 1.00 0.00 C ATOM 619 C PHE A 42 -20.143 -1.472 -18.391 1.00 0.00 C ATOM 620 O PHE A 42 -19.482 -2.343 -18.955 1.00 0.00 O ATOM 621 CB PHE A 42 -18.970 0.188 -19.831 1.00 0.00 C ATOM 622 CG PHE A 42 -19.052 1.450 -20.693 1.00 0.00 C ATOM 623 CD1 PHE A 42 -19.061 2.676 -20.104 1.00 0.00 C ATOM 624 CD2 PHE A 42 -19.116 1.346 -22.047 1.00 0.00 C ATOM 625 CE1 PHE A 42 -19.138 3.847 -20.903 1.00 0.00 C ATOM 626 CE2 PHE A 42 -19.193 2.517 -22.846 1.00 0.00 C ATOM 627 CZ PHE A 42 -19.202 3.743 -22.258 1.00 0.00 C ATOM 0 H PHE A 42 -19.247 1.277 -17.657 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.129 0.039 -19.534 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.093 0.257 -19.187 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -18.821 -0.674 -20.481 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -19.010 2.759 -19.028 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.108 0.373 -22.515 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -19.146 4.820 -20.435 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.244 2.434 -23.922 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.260 4.634 -22.866 1.00 0.00 H new ATOM 637 N ASP A 43 -20.840 -1.660 -17.281 1.00 0.00 N ATOM 638 CA ASP A 43 -20.873 -2.957 -16.628 1.00 0.00 C ATOM 639 C ASP A 43 -22.011 -3.792 -17.218 1.00 0.00 C ATOM 640 O ASP A 43 -22.998 -4.071 -16.538 1.00 0.00 O ATOM 641 CB ASP A 43 -21.123 -2.812 -15.125 1.00 0.00 C ATOM 642 CG ASP A 43 -21.485 -4.110 -14.401 1.00 0.00 C ATOM 643 OD1 ASP A 43 -20.877 -5.164 -14.638 1.00 0.00 O ATOM 644 OD2 ASP A 43 -22.449 -4.008 -13.550 1.00 0.00 O ATOM 0 H ASP A 43 -21.387 -0.935 -16.817 1.00 0.00 H new ATOM 0 HA ASP A 43 -19.908 -3.439 -16.788 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -20.230 -2.393 -14.662 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -21.928 -2.093 -14.974 1.00 0.00 H new ATOM 650 N GLY A 44 -21.836 -4.167 -18.476 1.00 0.00 N ATOM 651 CA GLY A 44 -22.837 -4.965 -19.165 1.00 0.00 C ATOM 652 C GLY A 44 -22.823 -4.682 -20.669 1.00 0.00 C ATOM 653 O GLY A 44 -23.319 -5.483 -21.459 1.00 0.00 O ATOM 0 H GLY A 44 -21.017 -3.933 -19.037 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -22.648 -6.024 -18.989 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -23.825 -4.746 -18.759 1.00 0.00 H new ATOM 657 N MET A 45 -22.249 -3.540 -21.018 1.00 0.00 N ATOM 658 CA MET A 45 -22.164 -3.142 -22.413 1.00 0.00 C ATOM 659 C MET A 45 -21.366 -4.162 -23.227 1.00 0.00 C ATOM 660 O MET A 45 -20.679 -5.012 -22.662 1.00 0.00 O ATOM 661 CB MET A 45 -21.491 -1.771 -22.513 1.00 0.00 C ATOM 662 CG MET A 45 -22.478 -0.710 -23.005 1.00 0.00 C ATOM 663 SD MET A 45 -23.079 0.251 -21.627 1.00 0.00 S ATOM 664 CE MET A 45 -22.917 1.896 -22.302 1.00 0.00 C ATOM 0 H MET A 45 -21.839 -2.878 -20.359 1.00 0.00 H new ATOM 0 HA MET A 45 -23.174 -3.092 -22.819 1.00 0.00 H new ATOM 0 HB2 MET A 45 -21.098 -1.483 -21.538 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.642 -1.827 -23.195 1.00 0.00 H new ATOM 0 HG2 MET A 45 -21.991 -0.057 -23.729 1.00 0.00 H new ATOM 0 HG3 MET A 45 -23.313 -1.188 -23.517 1.00 0.00 H new ATOM 0 HE1 MET A 45 -23.713 2.530 -21.910 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.950 2.312 -22.020 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.990 1.852 -23.389 1.00 0.00 H new ATOM 674 N SER A 46 -21.482 -4.044 -24.542 1.00 0.00 N ATOM 675 CA SER A 46 -20.780 -4.946 -25.439 1.00 0.00 C ATOM 676 C SER A 46 -19.343 -4.464 -25.647 1.00 0.00 C ATOM 677 O SER A 46 -19.120 -3.339 -26.093 1.00 0.00 O ATOM 678 CB SER A 46 -21.502 -5.057 -26.784 1.00 0.00 C ATOM 679 OG SER A 46 -20.728 -5.765 -27.748 1.00 0.00 O ATOM 0 H SER A 46 -22.052 -3.337 -25.007 1.00 0.00 H new ATOM 0 HA SER A 46 -20.762 -5.936 -24.983 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.457 -5.564 -26.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 -21.724 -4.058 -27.160 1.00 0.00 H new ATOM 0 HG SER A 46 -21.224 -5.816 -28.592 1.00 0.00 H new ATOM 685 N ARG A 47 -18.406 -5.338 -25.313 1.00 0.00 N ATOM 686 CA ARG A 47 -16.996 -5.016 -25.457 1.00 0.00 C ATOM 687 C ARG A 47 -16.768 -4.184 -26.721 1.00 0.00 C ATOM 688 O ARG A 47 -15.870 -3.346 -26.763 1.00 0.00 O ATOM 689 CB ARG A 47 -16.145 -6.286 -25.530 1.00 0.00 C ATOM 690 CG ARG A 47 -14.745 -6.040 -24.965 1.00 0.00 C ATOM 691 CD ARG A 47 -13.907 -7.320 -25.001 1.00 0.00 C ATOM 692 NE ARG A 47 -14.448 -8.306 -24.038 1.00 0.00 N ATOM 693 CZ ARG A 47 -13.787 -9.412 -23.636 1.00 0.00 C ATOM 694 NH1 ARG A 47 -12.552 -9.683 -24.110 1.00 0.00 N ATOM 695 NH2 ARG A 47 -14.366 -10.225 -22.772 1.00 0.00 N ATOM 0 H ARG A 47 -18.595 -6.269 -24.943 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.696 -4.442 -24.581 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.631 -7.086 -24.972 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -16.070 -6.619 -26.565 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.248 -5.259 -25.541 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.821 -5.679 -23.939 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.913 -7.740 -26.007 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.869 -7.092 -24.757 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.378 -8.139 -23.654 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.111 -9.050 -24.777 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.060 -10.521 -23.801 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.299 -10.013 -22.419 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.880 -11.065 -22.458 1.00 0.00 H new ATOM 708 N VAL A 48 -17.598 -4.446 -27.720 1.00 0.00 N ATOM 709 CA VAL A 48 -17.498 -3.732 -28.982 1.00 0.00 C ATOM 710 C VAL A 48 -18.068 -2.322 -28.812 1.00 0.00 C ATOM 711 O VAL A 48 -17.375 -1.336 -29.055 1.00 0.00 O ATOM 712 CB VAL A 48 -18.192 -4.528 -30.090 1.00 0.00 C ATOM 713 CG1 VAL A 48 -18.254 -3.721 -31.388 1.00 0.00 C ATOM 714 CG2 VAL A 48 -17.501 -5.874 -30.313 1.00 0.00 C ATOM 0 H VAL A 48 -18.342 -5.142 -27.681 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.455 -3.627 -29.280 1.00 0.00 H new ATOM 0 HB VAL A 48 -19.215 -4.726 -29.770 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.752 -4.309 -32.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.812 -2.800 -31.218 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.243 -3.478 -31.714 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.014 -6.419 -31.105 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.463 -5.707 -30.601 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.533 -6.456 -29.392 1.00 0.00 H new ATOM 724 N LYS A 49 -19.324 -2.273 -28.395 1.00 0.00 N ATOM 725 CA LYS A 49 -19.995 -1.000 -28.189 1.00 0.00 C ATOM 726 C LYS A 49 -19.233 -0.191 -27.138 1.00 0.00 C ATOM 727 O LYS A 49 -19.195 1.037 -27.201 1.00 0.00 O ATOM 728 CB LYS A 49 -21.469 -1.221 -27.846 1.00 0.00 C ATOM 729 CG LYS A 49 -22.371 -0.326 -28.698 1.00 0.00 C ATOM 730 CD LYS A 49 -22.901 0.855 -27.882 1.00 0.00 C ATOM 731 CE LYS A 49 -23.547 1.903 -28.790 1.00 0.00 C ATOM 732 NZ LYS A 49 -24.568 2.674 -28.046 1.00 0.00 N ATOM 0 H LYS A 49 -19.895 -3.094 -28.194 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.990 -0.414 -29.108 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -21.731 -2.267 -28.008 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.636 -1.011 -26.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.814 0.043 -29.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.207 -0.909 -29.085 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.630 0.500 -27.154 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.085 1.309 -27.320 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.784 2.578 -29.177 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -24.006 1.415 -29.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.997 3.381 -28.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.305 2.028 -27.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -24.120 3.155 -27.240 1.00 0.00 H new ATOM 745 N LYS A 50 -18.644 -0.912 -26.195 1.00 0.00 N ATOM 746 CA LYS A 50 -17.885 -0.277 -25.131 1.00 0.00 C ATOM 747 C LYS A 50 -16.590 0.299 -25.708 1.00 0.00 C ATOM 748 O LYS A 50 -16.477 1.508 -25.901 1.00 0.00 O ATOM 749 CB LYS A 50 -17.662 -1.254 -23.975 1.00 0.00 C ATOM 750 CG LYS A 50 -16.661 -0.689 -22.965 1.00 0.00 C ATOM 751 CD LYS A 50 -15.996 -1.811 -22.166 1.00 0.00 C ATOM 752 CE LYS A 50 -14.940 -2.531 -23.007 1.00 0.00 C ATOM 753 NZ LYS A 50 -13.847 -1.602 -23.373 1.00 0.00 N ATOM 0 H LYS A 50 -18.677 -1.930 -26.146 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.445 0.557 -24.709 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.610 -1.457 -23.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -17.296 -2.204 -24.363 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.900 -0.109 -23.487 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.171 -0.006 -22.285 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.533 -1.399 -21.269 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.751 -2.524 -21.836 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.536 -3.375 -22.449 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.399 -2.936 -23.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.750 -1.571 -24.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.067 -0.650 -23.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.955 -1.932 -22.951 1.00 0.00 H new ATOM 766 N GLN A 51 -15.647 -0.595 -25.967 1.00 0.00 N ATOM 767 CA GLN A 51 -14.365 -0.190 -26.518 1.00 0.00 C ATOM 768 C GLN A 51 -14.569 0.802 -27.665 1.00 0.00 C ATOM 769 O GLN A 51 -13.750 1.697 -27.869 1.00 0.00 O ATOM 770 CB GLN A 51 -13.560 -1.406 -26.982 1.00 0.00 C ATOM 771 CG GLN A 51 -12.090 -1.276 -26.578 1.00 0.00 C ATOM 772 CD GLN A 51 -11.359 -0.279 -27.479 1.00 0.00 C ATOM 773 OE1 GLN A 51 -11.910 0.265 -28.421 1.00 0.00 O ATOM 774 NE2 GLN A 51 -10.090 -0.071 -27.138 1.00 0.00 N ATOM 0 H GLN A 51 -15.745 -1.597 -25.806 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.794 0.306 -25.733 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.981 -2.313 -26.548 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.636 -1.506 -28.065 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.022 -0.951 -25.540 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.605 -2.250 -26.639 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.691 -0.560 -26.337 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.517 0.577 -27.678 1.00 0.00 H new ATOM 783 N GLN A 52 -15.665 0.610 -28.384 1.00 0.00 N ATOM 784 CA GLN A 52 -15.987 1.476 -29.504 1.00 0.00 C ATOM 785 C GLN A 52 -16.258 2.900 -29.013 1.00 0.00 C ATOM 786 O GLN A 52 -15.433 3.793 -29.201 1.00 0.00 O ATOM 787 CB GLN A 52 -17.179 0.932 -30.294 1.00 0.00 C ATOM 788 CG GLN A 52 -17.653 1.945 -31.338 1.00 0.00 C ATOM 789 CD GLN A 52 -18.833 1.393 -32.141 1.00 0.00 C ATOM 790 OE1 GLN A 52 -19.710 0.722 -31.622 1.00 0.00 O ATOM 791 NE2 GLN A 52 -18.806 1.712 -33.432 1.00 0.00 N ATOM 0 H GLN A 52 -16.342 -0.134 -28.212 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.129 1.501 -30.176 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.899 0.001 -30.787 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.996 0.698 -29.611 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.946 2.871 -30.844 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.832 2.189 -32.012 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.042 2.277 -33.802 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.550 1.391 -34.052 1.00 0.00 H new ATOM 800 N THR A 53 -17.417 3.068 -28.394 1.00 0.00 N ATOM 801 CA THR A 53 -17.807 4.367 -27.875 1.00 0.00 C ATOM 802 C THR A 53 -16.703 4.938 -26.982 1.00 0.00 C ATOM 803 O THR A 53 -16.651 6.144 -26.747 1.00 0.00 O ATOM 804 CB THR A 53 -19.148 4.206 -27.156 1.00 0.00 C ATOM 805 OG1 THR A 53 -20.116 4.530 -28.150 1.00 0.00 O ATOM 806 CG2 THR A 53 -19.361 5.263 -26.070 1.00 0.00 C ATOM 0 H THR A 53 -18.099 2.325 -28.240 1.00 0.00 H new ATOM 0 HA THR A 53 -17.938 5.091 -28.679 1.00 0.00 H new ATOM 0 HB THR A 53 -19.204 3.212 -26.711 1.00 0.00 H new ATOM 0 HG1 THR A 53 -21.015 4.450 -27.769 1.00 0.00 H new ATOM 0 HG21 THR A 53 -20.327 5.103 -25.591 1.00 0.00 H new ATOM 0 HG22 THR A 53 -18.569 5.184 -25.325 1.00 0.00 H new ATOM 0 HG23 THR A 53 -19.338 6.256 -26.519 1.00 0.00 H new ATOM 814 N VAL A 54 -15.848 4.044 -26.508 1.00 0.00 N ATOM 815 CA VAL A 54 -14.748 4.443 -25.646 1.00 0.00 C ATOM 816 C VAL A 54 -13.581 4.928 -26.508 1.00 0.00 C ATOM 817 O VAL A 54 -12.860 5.847 -26.122 1.00 0.00 O ATOM 818 CB VAL A 54 -14.366 3.289 -24.717 1.00 0.00 C ATOM 819 CG1 VAL A 54 -13.008 3.541 -24.060 1.00 0.00 C ATOM 820 CG2 VAL A 54 -15.450 3.053 -23.663 1.00 0.00 C ATOM 0 H VAL A 54 -15.895 3.044 -26.705 1.00 0.00 H new ATOM 0 HA VAL A 54 -15.046 5.273 -25.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.283 2.385 -25.321 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.760 2.706 -23.405 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.243 3.637 -24.831 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.051 4.460 -23.476 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.154 2.228 -23.015 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.579 3.955 -23.065 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.390 2.808 -24.157 1.00 0.00 H new ATOM 830 N TYR A 55 -13.430 4.289 -27.659 1.00 0.00 N ATOM 831 CA TYR A 55 -12.363 4.643 -28.578 1.00 0.00 C ATOM 832 C TYR A 55 -12.783 5.801 -29.486 1.00 0.00 C ATOM 833 O TYR A 55 -11.936 6.502 -30.037 1.00 0.00 O ATOM 834 CB TYR A 55 -12.115 3.401 -29.437 1.00 0.00 C ATOM 835 CG TYR A 55 -10.897 3.512 -30.355 1.00 0.00 C ATOM 836 CD1 TYR A 55 -9.745 4.123 -29.902 1.00 0.00 C ATOM 837 CD2 TYR A 55 -10.949 3.001 -31.636 1.00 0.00 C ATOM 838 CE1 TYR A 55 -8.598 4.227 -30.766 1.00 0.00 C ATOM 839 CE2 TYR A 55 -9.802 3.105 -32.500 1.00 0.00 C ATOM 840 CZ TYR A 55 -8.683 3.713 -32.023 1.00 0.00 C ATOM 841 OH TYR A 55 -7.599 3.811 -32.839 1.00 0.00 O ATOM 0 H TYR A 55 -14.030 3.527 -27.976 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.474 4.956 -28.031 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -11.986 2.539 -28.782 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.999 3.210 -30.045 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.704 4.523 -28.900 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.850 2.523 -31.990 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.690 4.702 -30.424 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.830 2.709 -33.504 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.803 3.400 -33.705 1.00 0.00 H new ATOM 851 N GLY A 56 -14.092 5.965 -29.615 1.00 0.00 N ATOM 852 CA GLY A 56 -14.635 7.025 -30.447 1.00 0.00 C ATOM 853 C GLY A 56 -13.981 8.369 -30.118 1.00 0.00 C ATOM 854 O GLY A 56 -13.474 9.051 -31.008 1.00 0.00 O ATOM 0 H GLY A 56 -14.792 5.381 -29.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.474 6.786 -31.498 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.712 7.094 -30.297 1.00 0.00 H new ATOM 858 N PRO A 57 -14.014 8.719 -28.804 1.00 0.00 N ATOM 859 CA PRO A 57 -13.431 9.969 -28.347 1.00 0.00 C ATOM 860 C PRO A 57 -11.904 9.884 -28.322 1.00 0.00 C ATOM 861 O PRO A 57 -11.222 10.718 -28.916 1.00 0.00 O ATOM 862 CB PRO A 57 -14.036 10.206 -26.973 1.00 0.00 C ATOM 863 CG PRO A 57 -14.572 8.859 -26.516 1.00 0.00 C ATOM 864 CD PRO A 57 -14.606 7.936 -27.723 1.00 0.00 C ATOM 0 HA PRO A 57 -13.650 10.804 -29.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.288 10.585 -26.277 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.833 10.948 -27.020 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.938 8.441 -25.734 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.570 8.969 -26.092 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.040 7.023 -27.539 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -15.626 7.636 -27.964 1.00 0.00 H new ATOM 872 N LEU A 58 -11.411 8.869 -27.628 1.00 0.00 N ATOM 873 CA LEU A 58 -9.976 8.665 -27.517 1.00 0.00 C ATOM 874 C LEU A 58 -9.490 7.838 -28.709 1.00 0.00 C ATOM 875 O LEU A 58 -8.626 6.976 -28.559 1.00 0.00 O ATOM 876 CB LEU A 58 -9.626 8.051 -26.159 1.00 0.00 C ATOM 877 CG LEU A 58 -10.164 6.643 -25.901 1.00 0.00 C ATOM 878 CD1 LEU A 58 -9.033 5.612 -25.914 1.00 0.00 C ATOM 879 CD2 LEU A 58 -10.969 6.593 -24.601 1.00 0.00 C ATOM 0 H LEU A 58 -11.979 8.179 -27.137 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.451 9.619 -27.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.541 8.027 -26.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.001 8.711 -25.377 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.845 6.384 -26.712 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.443 4.619 -25.728 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.540 5.625 -26.886 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.309 5.857 -25.137 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.340 5.581 -24.442 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.330 6.881 -23.766 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.811 7.282 -24.668 1.00 0.00 H new ATOM 891 N MET A 59 -10.065 8.132 -29.866 1.00 0.00 N ATOM 892 CA MET A 59 -9.701 7.427 -31.083 1.00 0.00 C ATOM 893 C MET A 59 -8.434 8.020 -31.702 1.00 0.00 C ATOM 894 O MET A 59 -7.530 7.286 -32.099 1.00 0.00 O ATOM 895 CB MET A 59 -10.851 7.516 -32.088 1.00 0.00 C ATOM 896 CG MET A 59 -11.294 6.123 -32.539 1.00 0.00 C ATOM 897 SD MET A 59 -11.011 5.929 -34.291 1.00 0.00 S ATOM 898 CE MET A 59 -12.469 6.735 -34.932 1.00 0.00 C ATOM 0 H MET A 59 -10.780 8.849 -29.986 1.00 0.00 H new ATOM 0 HA MET A 59 -9.506 6.384 -30.832 1.00 0.00 H new ATOM 0 HB2 MET A 59 -11.693 8.041 -31.637 1.00 0.00 H new ATOM 0 HB3 MET A 59 -10.538 8.100 -32.954 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.744 5.361 -31.987 1.00 0.00 H new ATOM 0 HG3 MET A 59 -12.351 5.978 -32.315 1.00 0.00 H new ATOM 0 HE1 MET A 59 -12.453 6.704 -36.021 1.00 0.00 H new ATOM 0 HE2 MET A 59 -13.359 6.221 -34.568 1.00 0.00 H new ATOM 0 HE3 MET A 59 -12.487 7.773 -34.599 1.00 0.00 H new ATOM 908 N GLU A 60 -8.408 9.344 -31.764 1.00 0.00 N ATOM 909 CA GLU A 60 -7.266 10.044 -32.327 1.00 0.00 C ATOM 910 C GLU A 60 -6.087 10.008 -31.353 1.00 0.00 C ATOM 911 O GLU A 60 -5.028 9.472 -31.675 1.00 0.00 O ATOM 912 CB GLU A 60 -7.632 11.484 -32.692 1.00 0.00 C ATOM 913 CG GLU A 60 -7.583 11.696 -34.206 1.00 0.00 C ATOM 914 CD GLU A 60 -7.880 13.153 -34.566 1.00 0.00 C ATOM 915 OE1 GLU A 60 -7.719 14.046 -33.720 1.00 0.00 O ATOM 916 OE2 GLU A 60 -8.290 13.344 -35.774 1.00 0.00 O ATOM 0 H GLU A 60 -9.159 9.950 -31.434 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.969 9.535 -33.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.631 11.714 -32.321 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.944 12.173 -32.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.599 11.418 -34.584 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.308 11.043 -34.692 1.00 0.00 H new ATOM 924 N TYR A 61 -6.311 10.585 -30.182 1.00 0.00 N ATOM 925 CA TYR A 61 -5.280 10.625 -29.158 1.00 0.00 C ATOM 926 C TYR A 61 -4.501 9.309 -29.112 1.00 0.00 C ATOM 927 O TYR A 61 -3.274 9.312 -29.030 1.00 0.00 O ATOM 928 CB TYR A 61 -6.012 10.818 -27.829 1.00 0.00 C ATOM 929 CG TYR A 61 -5.171 11.499 -26.748 1.00 0.00 C ATOM 930 CD1 TYR A 61 -4.045 10.873 -26.253 1.00 0.00 C ATOM 931 CD2 TYR A 61 -5.538 12.740 -26.268 1.00 0.00 C ATOM 932 CE1 TYR A 61 -3.253 11.514 -25.235 1.00 0.00 C ATOM 933 CE2 TYR A 61 -4.746 13.381 -25.250 1.00 0.00 C ATOM 934 CZ TYR A 61 -3.643 12.736 -24.784 1.00 0.00 C ATOM 935 OH TYR A 61 -2.895 13.342 -23.823 1.00 0.00 O ATOM 0 H TYR A 61 -7.191 11.029 -29.919 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.568 11.424 -29.362 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.910 11.411 -28.003 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.339 9.845 -27.461 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.758 9.902 -26.629 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.419 13.230 -26.656 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.370 11.035 -24.839 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.022 14.352 -24.865 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.292 14.210 -23.598 1.00 0.00 H new ATOM 945 N ILE A 62 -5.247 8.215 -29.167 1.00 0.00 N ATOM 946 CA ILE A 62 -4.643 6.894 -29.133 1.00 0.00 C ATOM 947 C ILE A 62 -3.973 6.609 -30.478 1.00 0.00 C ATOM 948 O ILE A 62 -2.856 6.096 -30.524 1.00 0.00 O ATOM 949 CB ILE A 62 -5.676 5.842 -28.725 1.00 0.00 C ATOM 950 CG1 ILE A 62 -5.731 5.689 -27.204 1.00 0.00 C ATOM 951 CG2 ILE A 62 -5.408 4.509 -29.427 1.00 0.00 C ATOM 952 CD1 ILE A 62 -6.161 6.996 -26.536 1.00 0.00 C ATOM 0 H ILE A 62 -6.265 8.217 -29.235 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.863 6.852 -28.373 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.659 6.184 -29.049 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.429 4.895 -26.940 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.752 5.390 -26.829 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.157 3.779 -29.119 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.460 4.649 -30.507 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.416 4.148 -29.156 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.192 6.859 -25.455 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.447 7.782 -26.782 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.151 7.279 -26.894 1.00 0.00 H new ATOM 964 N ALA A 63 -4.683 6.956 -31.542 1.00 0.00 N ATOM 965 CA ALA A 63 -4.172 6.743 -32.885 1.00 0.00 C ATOM 966 C ALA A 63 -2.698 7.153 -32.936 1.00 0.00 C ATOM 967 O ALA A 63 -1.881 6.468 -33.549 1.00 0.00 O ATOM 968 CB ALA A 63 -5.028 7.521 -33.887 1.00 0.00 C ATOM 0 H ALA A 63 -5.608 7.383 -31.501 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.231 5.689 -33.155 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.644 7.361 -34.895 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.059 7.173 -33.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.991 8.584 -33.649 1.00 0.00 H new ATOM 974 N ASP A 64 -2.404 8.268 -32.283 1.00 0.00 N ATOM 975 CA ASP A 64 -1.044 8.777 -32.246 1.00 0.00 C ATOM 976 C ASP A 64 -0.283 8.102 -31.103 1.00 0.00 C ATOM 977 O ASP A 64 0.890 7.761 -31.249 1.00 0.00 O ATOM 978 CB ASP A 64 -1.027 10.287 -31.999 1.00 0.00 C ATOM 979 CG ASP A 64 -1.369 11.145 -33.218 1.00 0.00 C ATOM 980 OD1 ASP A 64 -0.792 10.972 -34.303 1.00 0.00 O ATOM 981 OD2 ASP A 64 -2.281 12.035 -33.020 1.00 0.00 O ATOM 0 H ASP A 64 -3.085 8.833 -31.775 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.578 8.564 -33.208 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.733 10.518 -31.201 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.037 10.570 -31.640 1.00 0.00 H new ATOM 987 N ASN A 65 -0.981 7.930 -29.990 1.00 0.00 N ATOM 988 CA ASN A 65 -0.385 7.303 -28.822 1.00 0.00 C ATOM 989 C ASN A 65 0.190 5.942 -29.218 1.00 0.00 C ATOM 990 O ASN A 65 1.033 5.391 -28.512 1.00 0.00 O ATOM 991 CB ASN A 65 -1.429 7.075 -27.727 1.00 0.00 C ATOM 992 CG ASN A 65 -0.765 6.950 -26.354 1.00 0.00 C ATOM 993 OD1 ASN A 65 -0.956 7.766 -25.468 1.00 0.00 O ATOM 994 ND2 ASN A 65 0.022 5.886 -26.229 1.00 0.00 N ATOM 0 H ASN A 65 -1.954 8.214 -29.872 1.00 0.00 H new ATOM 0 HA ASN A 65 0.395 7.964 -28.444 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.138 7.903 -27.718 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.997 6.170 -27.944 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.510 5.713 -25.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.137 5.242 -27.012 1.00 0.00 H new ATOM 1001 N ARG A 66 -0.289 5.438 -30.346 1.00 0.00 N ATOM 1002 CA ARG A 66 0.167 4.151 -30.844 1.00 0.00 C ATOM 1003 C ARG A 66 1.644 3.943 -30.501 1.00 0.00 C ATOM 1004 O ARG A 66 2.066 2.823 -30.216 1.00 0.00 O ATOM 1005 CB ARG A 66 -0.016 4.051 -32.360 1.00 0.00 C ATOM 1006 CG ARG A 66 0.551 2.735 -32.895 1.00 0.00 C ATOM 1007 CD ARG A 66 1.841 2.972 -33.682 1.00 0.00 C ATOM 1008 NE ARG A 66 2.961 2.239 -33.051 1.00 0.00 N ATOM 1009 CZ ARG A 66 3.006 0.896 -32.916 1.00 0.00 C ATOM 1010 NH1 ARG A 66 1.991 0.128 -33.367 1.00 0.00 N ATOM 1011 NH2 ARG A 66 4.056 0.346 -32.335 1.00 0.00 N ATOM 0 H ARG A 66 -0.988 5.898 -30.929 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.434 3.378 -30.365 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.075 4.122 -32.607 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.482 4.890 -32.846 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.747 2.056 -32.065 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.186 2.251 -33.536 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.714 2.641 -34.713 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.066 4.038 -33.715 1.00 0.00 H new ATOM 0 HE ARG A 66 3.748 2.782 -32.696 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.183 0.562 -33.813 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.033 -0.886 -33.261 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.817 0.934 -31.996 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.106 -0.667 -32.225 1.00 0.00 H new ATOM 1024 N ILE A 67 2.388 5.038 -30.539 1.00 0.00 N ATOM 1025 CA ILE A 67 3.808 4.989 -30.236 1.00 0.00 C ATOM 1026 C ILE A 67 4.043 4.029 -29.068 1.00 0.00 C ATOM 1027 O ILE A 67 5.033 3.299 -29.049 1.00 0.00 O ATOM 1028 CB ILE A 67 4.353 6.398 -29.993 1.00 0.00 C ATOM 1029 CG1 ILE A 67 3.566 7.108 -28.889 1.00 0.00 C ATOM 1030 CG2 ILE A 67 4.378 7.208 -31.291 1.00 0.00 C ATOM 1031 CD1 ILE A 67 4.144 8.496 -28.609 1.00 0.00 C ATOM 0 H ILE A 67 2.034 5.965 -30.775 1.00 0.00 H new ATOM 0 HA ILE A 67 4.366 4.599 -31.087 1.00 0.00 H new ATOM 0 HB ILE A 67 5.383 6.311 -29.648 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.520 7.198 -29.184 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.590 6.510 -27.978 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.769 8.205 -31.090 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.016 6.708 -32.020 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.366 7.289 -31.689 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.566 8.978 -27.821 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.182 8.400 -28.291 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.096 9.100 -29.515 1.00 0.00 H new ATOM 1043 N HIS A 68 3.115 4.060 -28.122 1.00 0.00 N ATOM 1044 CA HIS A 68 3.209 3.202 -26.953 1.00 0.00 C ATOM 1045 C HIS A 68 2.159 2.093 -27.046 1.00 0.00 C ATOM 1046 O HIS A 68 1.840 1.624 -28.137 1.00 0.00 O ATOM 1047 CB HIS A 68 3.094 4.022 -25.667 1.00 0.00 C ATOM 1048 CG HIS A 68 3.847 5.330 -25.703 1.00 0.00 C ATOM 1049 ND1 HIS A 68 5.079 5.469 -26.318 1.00 0.00 N ATOM 1050 CD2 HIS A 68 3.530 6.555 -25.194 1.00 0.00 C ATOM 1051 CE1 HIS A 68 5.476 6.726 -26.179 1.00 0.00 C ATOM 1052 NE2 HIS A 68 4.515 7.397 -25.482 1.00 0.00 N ATOM 0 H HIS A 68 2.295 4.666 -28.142 1.00 0.00 H new ATOM 0 HA HIS A 68 4.189 2.725 -26.924 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.041 4.226 -25.471 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.463 3.425 -24.833 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.630 6.799 -24.649 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.399 7.145 -26.552 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.548 8.383 -25.224 1.00 0.00 H new ATOM 1060 N ALA A 69 1.650 1.706 -25.885 1.00 0.00 N ATOM 1061 CA ALA A 69 0.642 0.661 -25.822 1.00 0.00 C ATOM 1062 C ALA A 69 -0.258 0.900 -24.607 1.00 0.00 C ATOM 1063 O ALA A 69 -0.104 0.244 -23.578 1.00 0.00 O ATOM 1064 CB ALA A 69 1.327 -0.707 -25.780 1.00 0.00 C ATOM 0 H ALA A 69 1.917 2.097 -24.981 1.00 0.00 H new ATOM 0 HA ALA A 69 0.010 0.682 -26.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.571 -1.491 -25.733 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.931 -0.839 -26.678 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.967 -0.767 -24.900 1.00 0.00 H new ATOM 1070 N VAL A 70 -1.176 1.841 -24.768 1.00 0.00 N ATOM 1071 CA VAL A 70 -2.101 2.174 -23.698 1.00 0.00 C ATOM 1072 C VAL A 70 -3.504 1.694 -24.074 1.00 0.00 C ATOM 1073 O VAL A 70 -4.236 2.392 -24.775 1.00 0.00 O ATOM 1074 CB VAL A 70 -2.041 3.675 -23.403 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -0.638 4.090 -22.958 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -2.496 4.490 -24.616 1.00 0.00 C ATOM 0 H VAL A 70 -1.299 2.383 -25.623 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.819 1.664 -22.777 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.728 3.884 -22.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.623 5.161 -22.755 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.367 3.545 -22.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.077 3.860 -23.748 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.444 5.553 -24.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.846 4.274 -25.464 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.522 4.224 -24.869 1.00 0.00 H new ATOM 1086 N SER A 71 -3.838 0.506 -23.591 1.00 0.00 N ATOM 1087 CA SER A 71 -5.140 -0.075 -23.868 1.00 0.00 C ATOM 1088 C SER A 71 -6.212 0.616 -23.023 1.00 0.00 C ATOM 1089 O SER A 71 -5.910 1.186 -21.976 1.00 0.00 O ATOM 1090 CB SER A 71 -5.140 -1.581 -23.597 1.00 0.00 C ATOM 1091 OG SER A 71 -4.747 -2.330 -24.744 1.00 0.00 O ATOM 0 H SER A 71 -3.229 -0.070 -23.010 1.00 0.00 H new ATOM 0 HA SER A 71 -5.365 0.077 -24.924 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.463 -1.801 -22.771 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.136 -1.893 -23.284 1.00 0.00 H new ATOM 0 HG SER A 71 -4.758 -3.286 -24.530 1.00 0.00 H new ATOM 1097 N ILE A 72 -7.442 0.543 -23.510 1.00 0.00 N ATOM 1098 CA ILE A 72 -8.561 1.154 -22.812 1.00 0.00 C ATOM 1099 C ILE A 72 -9.750 0.192 -22.822 1.00 0.00 C ATOM 1100 O ILE A 72 -10.299 -0.111 -23.880 1.00 0.00 O ATOM 1101 CB ILE A 72 -8.877 2.528 -23.407 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -8.120 3.633 -22.667 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -10.385 2.782 -23.430 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -8.921 4.134 -21.464 1.00 0.00 C ATOM 0 H ILE A 72 -7.689 0.070 -24.379 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.306 1.335 -21.768 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.533 2.540 -24.441 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.153 3.256 -22.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.922 4.461 -23.347 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.582 3.765 -23.857 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.873 2.019 -24.036 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.776 2.744 -22.413 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.361 4.919 -20.955 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.877 4.532 -21.804 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.097 3.308 -20.774 1.00 0.00 H new ATOM 1116 N LYS A 73 -10.113 -0.261 -21.631 1.00 0.00 N ATOM 1117 CA LYS A 73 -11.227 -1.183 -21.488 1.00 0.00 C ATOM 1118 C LYS A 73 -12.052 -0.794 -20.260 1.00 0.00 C ATOM 1119 O LYS A 73 -11.518 -0.691 -19.157 1.00 0.00 O ATOM 1120 CB LYS A 73 -10.726 -2.629 -21.460 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.018 -2.990 -22.767 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.030 -3.352 -23.857 1.00 0.00 C ATOM 1123 CE LYS A 73 -10.535 -4.534 -24.693 1.00 0.00 C ATOM 1124 NZ LYS A 73 -9.808 -4.055 -25.889 1.00 0.00 N ATOM 0 H LYS A 73 -9.655 -0.007 -20.756 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.889 -1.116 -22.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.042 -2.764 -20.622 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.565 -3.305 -21.298 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.407 -2.150 -23.098 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.343 -3.829 -22.599 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.988 -3.600 -23.401 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.198 -2.490 -24.503 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.881 -5.164 -24.091 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.380 -5.151 -24.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.364 -4.268 -26.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.662 -3.028 -25.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.886 -4.532 -25.949 1.00 0.00 H new ATOM 1137 N ALA A 74 -13.340 -0.588 -20.493 1.00 0.00 N ATOM 1138 CA ALA A 74 -14.244 -0.212 -19.419 1.00 0.00 C ATOM 1139 C ALA A 74 -14.745 -1.475 -18.715 1.00 0.00 C ATOM 1140 O ALA A 74 -15.406 -2.311 -19.328 1.00 0.00 O ATOM 1141 CB ALA A 74 -15.387 0.632 -19.986 1.00 0.00 C ATOM 0 H ALA A 74 -13.779 -0.674 -21.410 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.727 0.396 -18.677 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -16.065 0.914 -19.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.980 1.531 -20.450 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -15.931 0.053 -20.732 1.00 0.00 H new ATOM 1147 N TYR A 75 -14.410 -1.573 -17.437 1.00 0.00 N ATOM 1148 CA TYR A 75 -14.818 -2.719 -16.642 1.00 0.00 C ATOM 1149 C TYR A 75 -14.855 -2.369 -15.153 1.00 0.00 C ATOM 1150 O TYR A 75 -14.586 -1.231 -14.773 1.00 0.00 O ATOM 1151 CB TYR A 75 -13.754 -3.794 -16.875 1.00 0.00 C ATOM 1152 CG TYR A 75 -13.842 -4.470 -18.245 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -15.064 -4.891 -18.729 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -12.700 -4.660 -18.996 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -15.147 -5.528 -20.018 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -12.783 -5.297 -20.284 1.00 0.00 C ATOM 1157 CZ TYR A 75 -14.002 -5.700 -20.732 1.00 0.00 C ATOM 1158 OH TYR A 75 -14.081 -6.301 -21.949 1.00 0.00 O ATOM 0 H TYR A 75 -13.861 -0.878 -16.932 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.816 -3.049 -16.929 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -12.767 -3.344 -16.766 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.845 -4.555 -16.099 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.958 -4.743 -18.141 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -11.744 -4.331 -18.617 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.097 -5.862 -20.409 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.897 -5.451 -20.881 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.186 -6.356 -22.345 1.00 0.00 H new ATOM 1168 N THR A 76 -15.191 -3.369 -14.352 1.00 0.00 N ATOM 1169 CA THR A 76 -15.267 -3.182 -12.913 1.00 0.00 C ATOM 1170 C THR A 76 -13.914 -3.480 -12.264 1.00 0.00 C ATOM 1171 O THR A 76 -12.938 -3.763 -12.957 1.00 0.00 O ATOM 1172 CB THR A 76 -16.402 -4.058 -12.381 1.00 0.00 C ATOM 1173 OG1 THR A 76 -15.762 -5.283 -12.034 1.00 0.00 O ATOM 1174 CG2 THR A 76 -17.398 -4.454 -13.473 1.00 0.00 C ATOM 0 H THR A 76 -15.414 -4.312 -14.672 1.00 0.00 H new ATOM 0 HA THR A 76 -15.492 -2.146 -12.661 1.00 0.00 H new ATOM 0 HB THR A 76 -16.927 -3.528 -11.586 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.426 -5.910 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 76 -18.183 -5.075 -13.042 1.00 0.00 H new ATOM 0 HG22 THR A 76 -17.841 -3.556 -13.904 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.880 -5.013 -14.252 1.00 0.00 H new ATOM 1182 N PRO A 77 -13.898 -3.405 -10.906 1.00 0.00 N ATOM 1183 CA PRO A 77 -12.681 -3.664 -10.156 1.00 0.00 C ATOM 1184 C PRO A 77 -12.373 -5.162 -10.111 1.00 0.00 C ATOM 1185 O PRO A 77 -11.215 -5.564 -10.214 1.00 0.00 O ATOM 1186 CB PRO A 77 -12.932 -3.068 -8.781 1.00 0.00 C ATOM 1187 CG PRO A 77 -14.440 -2.912 -8.663 1.00 0.00 C ATOM 1188 CD PRO A 77 -15.035 -3.073 -10.052 1.00 0.00 C ATOM 0 HA PRO A 77 -11.800 -3.215 -10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.544 -3.718 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.430 -2.106 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -14.849 -3.660 -7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.692 -1.935 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.788 -3.861 -10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.524 -2.156 -10.382 1.00 0.00 H new ATOM 1196 N ALA A 78 -13.429 -5.947 -9.957 1.00 0.00 N ATOM 1197 CA ALA A 78 -13.286 -7.391 -9.898 1.00 0.00 C ATOM 1198 C ALA A 78 -13.139 -7.944 -11.317 1.00 0.00 C ATOM 1199 O ALA A 78 -12.517 -8.986 -11.519 1.00 0.00 O ATOM 1200 CB ALA A 78 -14.483 -7.993 -9.159 1.00 0.00 C ATOM 0 H ALA A 78 -14.388 -5.610 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.389 -7.665 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.376 -9.077 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.525 -7.591 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.402 -7.741 -9.688 1.00 0.00 H new ATOM 1206 N GLU A 79 -13.721 -7.221 -12.262 1.00 0.00 N ATOM 1207 CA GLU A 79 -13.662 -7.626 -13.656 1.00 0.00 C ATOM 1208 C GLU A 79 -12.207 -7.741 -14.115 1.00 0.00 C ATOM 1209 O GLU A 79 -11.887 -8.558 -14.978 1.00 0.00 O ATOM 1210 CB GLU A 79 -14.441 -6.653 -14.543 1.00 0.00 C ATOM 1211 CG GLU A 79 -14.512 -7.161 -15.985 1.00 0.00 C ATOM 1212 CD GLU A 79 -15.770 -8.004 -16.208 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -15.738 -9.228 -16.014 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -16.807 -7.343 -16.596 1.00 0.00 O ATOM 0 H GLU A 79 -14.236 -6.357 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.130 -8.606 -13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.449 -6.524 -14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.963 -5.674 -14.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.510 -6.315 -16.673 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.627 -7.756 -16.209 1.00 0.00 H new ATOM 1222 N TRP A 80 -11.364 -6.912 -13.518 1.00 0.00 N ATOM 1223 CA TRP A 80 -9.951 -6.910 -13.854 1.00 0.00 C ATOM 1224 C TRP A 80 -9.390 -8.300 -13.545 1.00 0.00 C ATOM 1225 O TRP A 80 -9.139 -9.088 -14.455 1.00 0.00 O ATOM 1226 CB TRP A 80 -9.213 -5.790 -13.118 1.00 0.00 C ATOM 1227 CG TRP A 80 -8.270 -4.977 -14.006 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -7.955 -3.679 -13.904 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -7.527 -5.464 -15.143 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -7.067 -3.295 -14.889 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -6.798 -4.415 -15.666 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -7.472 -6.749 -15.712 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -5.963 -4.543 -16.782 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -6.632 -6.860 -16.826 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -5.892 -5.814 -17.365 1.00 0.00 C ATOM 0 H TRP A 80 -11.633 -6.236 -12.803 1.00 0.00 H new ATOM 0 HA TRP A 80 -9.807 -6.704 -14.915 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -9.946 -5.117 -12.673 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -8.640 -6.224 -12.299 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -8.346 -3.016 -13.146 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.680 -2.361 -15.022 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.034 -7.584 -15.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -5.403 -3.706 -17.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.553 -7.827 -17.301 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.266 -5.981 -18.229 1.00 0.00 H new ATOM 1246 N ALA A 81 -9.209 -8.557 -12.257 1.00 0.00 N ATOM 1247 CA ALA A 81 -8.683 -9.837 -11.817 1.00 0.00 C ATOM 1248 C ALA A 81 -9.265 -10.951 -12.690 1.00 0.00 C ATOM 1249 O ALA A 81 -8.528 -11.792 -13.203 1.00 0.00 O ATOM 1250 CB ALA A 81 -8.997 -10.035 -10.333 1.00 0.00 C ATOM 0 H ALA A 81 -9.417 -7.900 -11.505 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.599 -9.865 -11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.602 -10.996 -10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.536 -9.235 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.077 -10.016 -10.184 1.00 0.00 H new ATOM 1256 N ARG A 82 -10.582 -10.921 -12.831 1.00 0.00 N ATOM 1257 CA ARG A 82 -11.272 -11.917 -13.633 1.00 0.00 C ATOM 1258 C ARG A 82 -10.757 -11.888 -15.074 1.00 0.00 C ATOM 1259 O ARG A 82 -10.578 -12.935 -15.694 1.00 0.00 O ATOM 1260 CB ARG A 82 -12.782 -11.674 -13.634 1.00 0.00 C ATOM 1261 CG ARG A 82 -13.500 -12.688 -14.527 1.00 0.00 C ATOM 1262 CD ARG A 82 -14.534 -11.998 -15.419 1.00 0.00 C ATOM 1263 NE ARG A 82 -15.010 -12.935 -16.461 1.00 0.00 N ATOM 1264 CZ ARG A 82 -15.846 -12.591 -17.463 1.00 0.00 C ATOM 1265 NH1 ARG A 82 -16.305 -11.326 -17.569 1.00 0.00 N ATOM 1266 NH2 ARG A 82 -16.206 -13.510 -18.339 1.00 0.00 N ATOM 0 H ARG A 82 -11.190 -10.222 -12.403 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.073 -12.894 -13.192 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.166 -11.744 -12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -12.991 -10.663 -13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.772 -13.212 -15.146 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.991 -13.439 -13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.375 -11.654 -14.816 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.094 -11.116 -15.885 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.686 -13.901 -16.419 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.020 -10.621 -16.889 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.937 -11.075 -18.330 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.853 -14.463 -18.252 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.837 -13.267 -19.103 1.00 0.00 H new ATOM 1279 N ASP A 83 -10.533 -10.678 -15.564 1.00 0.00 N ATOM 1280 CA ASP A 83 -10.042 -10.499 -16.920 1.00 0.00 C ATOM 1281 C ASP A 83 -8.610 -11.029 -17.014 1.00 0.00 C ATOM 1282 O ASP A 83 -8.273 -11.756 -17.947 1.00 0.00 O ATOM 1283 CB ASP A 83 -10.025 -9.020 -17.309 1.00 0.00 C ATOM 1284 CG ASP A 83 -10.992 -8.634 -18.430 1.00 0.00 C ATOM 1285 OD1 ASP A 83 -10.765 -8.953 -19.607 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -12.031 -7.970 -18.050 1.00 0.00 O ATOM 0 H ASP A 83 -10.682 -9.812 -15.047 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.706 -11.041 -17.593 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.260 -8.425 -16.426 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.013 -8.752 -17.614 1.00 0.00 H new ATOM 1292 N ARG A 84 -7.806 -10.644 -16.034 1.00 0.00 N ATOM 1293 CA ARG A 84 -6.418 -11.072 -15.994 1.00 0.00 C ATOM 1294 C ARG A 84 -6.332 -12.570 -15.696 1.00 0.00 C ATOM 1295 O ARG A 84 -5.337 -13.216 -16.024 1.00 0.00 O ATOM 1296 CB ARG A 84 -5.635 -10.301 -14.929 1.00 0.00 C ATOM 1297 CG ARG A 84 -4.326 -9.752 -15.500 1.00 0.00 C ATOM 1298 CD ARG A 84 -4.092 -8.310 -15.047 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.682 -7.927 -15.285 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.634 -8.436 -14.604 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -1.828 -9.355 -13.634 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -0.416 -8.021 -14.900 1.00 0.00 N ATOM 0 H ARG A 84 -8.089 -10.041 -15.262 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.980 -10.867 -16.971 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.243 -9.480 -14.549 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.421 -10.956 -14.085 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.494 -10.378 -15.178 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.354 -9.795 -16.589 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.757 -7.637 -15.589 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.331 -8.209 -13.988 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.491 -7.235 -16.009 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.772 -9.670 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.030 -9.735 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.278 -7.326 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.387 -8.395 -14.395 1.00 0.00 H new ATOM 1315 N LYS A 85 -7.387 -13.079 -15.078 1.00 0.00 N ATOM 1316 CA LYS A 85 -7.444 -14.489 -14.732 1.00 0.00 C ATOM 1317 C LYS A 85 -7.987 -15.281 -15.923 1.00 0.00 C ATOM 1318 O LYS A 85 -7.835 -16.500 -15.985 1.00 0.00 O ATOM 1319 CB LYS A 85 -8.242 -14.693 -13.443 1.00 0.00 C ATOM 1320 CG LYS A 85 -7.313 -14.771 -12.229 1.00 0.00 C ATOM 1321 CD LYS A 85 -7.587 -13.624 -11.254 1.00 0.00 C ATOM 1322 CE LYS A 85 -6.496 -12.556 -11.343 1.00 0.00 C ATOM 1323 NZ LYS A 85 -5.225 -13.064 -10.779 1.00 0.00 N ATOM 0 H LYS A 85 -8.210 -12.540 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.444 -14.870 -14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.947 -13.872 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.829 -15.609 -13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.452 -15.726 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.275 -14.733 -12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.557 -13.178 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.639 -14.012 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.348 -12.265 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.809 -11.662 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.616 -12.262 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.425 -13.637 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.740 -13.650 -11.488 1.00 0.00 H new ATOM 1336 N LEU A 86 -8.610 -14.555 -16.840 1.00 0.00 N ATOM 1337 CA LEU A 86 -9.177 -15.174 -18.026 1.00 0.00 C ATOM 1338 C LEU A 86 -8.049 -15.537 -18.995 1.00 0.00 C ATOM 1339 O LEU A 86 -6.880 -15.557 -18.614 1.00 0.00 O ATOM 1340 CB LEU A 86 -10.249 -14.272 -18.641 1.00 0.00 C ATOM 1341 CG LEU A 86 -11.696 -14.600 -18.266 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -12.679 -13.825 -19.147 1.00 0.00 C ATOM 1343 CD2 LEU A 86 -11.947 -16.108 -18.316 1.00 0.00 C ATOM 0 H LEU A 86 -8.734 -13.544 -16.785 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.686 -16.102 -17.765 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.042 -13.243 -18.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.156 -14.318 -19.726 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.864 -14.280 -17.238 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.700 -14.076 -18.860 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.518 -12.755 -19.017 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.520 -14.092 -20.192 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.983 -16.314 -18.045 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.756 -16.475 -19.324 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.282 -16.611 -17.614 1.00 0.00 H new ATOM 1355 N ASN A 87 -8.440 -15.816 -20.230 1.00 0.00 N ATOM 1356 CA ASN A 87 -7.478 -16.177 -21.257 1.00 0.00 C ATOM 1357 C ASN A 87 -7.368 -15.038 -22.271 1.00 0.00 C ATOM 1358 O ASN A 87 -6.897 -15.240 -23.389 1.00 0.00 O ATOM 1359 CB ASN A 87 -7.917 -17.437 -22.005 1.00 0.00 C ATOM 1360 CG ASN A 87 -8.829 -18.303 -21.134 1.00 0.00 C ATOM 1361 OD1 ASN A 87 -8.670 -18.398 -19.928 1.00 0.00 O ATOM 1362 ND2 ASN A 87 -9.790 -18.927 -21.809 1.00 0.00 N ATOM 0 H ASN A 87 -9.411 -15.799 -20.542 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.520 -16.362 -20.771 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.440 -17.157 -22.919 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.040 -18.012 -22.303 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.450 -19.529 -21.317 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.867 -18.804 -22.819 1.00 0.00 H new ATOM 1369 N GLY A 88 -7.813 -13.864 -21.846 1.00 0.00 N ATOM 1370 CA GLY A 88 -7.771 -12.692 -22.703 1.00 0.00 C ATOM 1371 C GLY A 88 -6.629 -11.757 -22.299 1.00 0.00 C ATOM 1372 O GLY A 88 -6.047 -11.081 -23.145 1.00 0.00 O ATOM 0 H GLY A 88 -8.205 -13.700 -20.919 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.643 -13.000 -23.741 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.720 -12.159 -22.643 1.00 0.00 H new ATOM 1376 N PHE A 89 -6.344 -11.749 -21.005 1.00 0.00 N ATOM 1377 CA PHE A 89 -5.282 -10.909 -20.479 1.00 0.00 C ATOM 1378 C PHE A 89 -4.160 -11.756 -19.876 1.00 0.00 C ATOM 1379 O PHE A 89 -3.165 -11.220 -19.390 1.00 0.00 O ATOM 1380 CB PHE A 89 -5.900 -10.045 -19.378 1.00 0.00 C ATOM 1381 CG PHE A 89 -6.492 -8.726 -19.880 1.00 0.00 C ATOM 1382 CD1 PHE A 89 -5.672 -7.752 -20.358 1.00 0.00 C ATOM 1383 CD2 PHE A 89 -7.837 -8.528 -19.848 1.00 0.00 C ATOM 1384 CE1 PHE A 89 -6.221 -6.528 -20.824 1.00 0.00 C ATOM 1385 CE2 PHE A 89 -8.386 -7.304 -20.314 1.00 0.00 C ATOM 1386 CZ PHE A 89 -7.566 -6.330 -20.792 1.00 0.00 C ATOM 0 H PHE A 89 -6.830 -12.311 -20.306 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.854 -10.305 -21.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.683 -10.616 -18.879 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.138 -9.828 -18.630 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.604 -7.909 -20.383 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.488 -9.302 -19.468 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.570 -5.754 -21.204 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.454 -7.147 -20.289 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.983 -5.399 -21.146 1.00 0.00 H new ATOM 1396 N LEU A 90 -4.357 -13.065 -19.927 1.00 0.00 N ATOM 1397 CA LEU A 90 -3.375 -13.992 -19.391 1.00 0.00 C ATOM 1398 C LEU A 90 -3.214 -15.170 -20.354 1.00 0.00 C ATOM 1399 O LEU A 90 -2.620 -16.188 -20.001 1.00 0.00 O ATOM 1400 CB LEU A 90 -3.749 -14.407 -17.967 1.00 0.00 C ATOM 1401 CG LEU A 90 -2.954 -15.574 -17.378 1.00 0.00 C ATOM 1402 CD1 LEU A 90 -2.544 -15.283 -15.932 1.00 0.00 C ATOM 1403 CD2 LEU A 90 -3.731 -16.886 -17.500 1.00 0.00 C ATOM 0 H LEU A 90 -5.183 -13.506 -20.332 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.401 -13.510 -19.310 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.626 -13.543 -17.314 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.807 -14.670 -17.952 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.038 -15.689 -17.957 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.980 -16.128 -15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.923 -14.387 -15.903 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.436 -15.126 -15.325 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.143 -17.698 -17.074 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.675 -16.801 -16.962 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.930 -17.095 -18.551 1.00 0.00 H new ATOM 1415 N GLU A 91 -3.754 -14.994 -21.551 1.00 0.00 N ATOM 1416 CA GLU A 91 -3.679 -16.030 -22.566 1.00 0.00 C ATOM 1417 C GLU A 91 -4.347 -15.556 -23.859 1.00 0.00 C ATOM 1418 O GLU A 91 -4.730 -14.393 -23.973 1.00 0.00 O ATOM 1419 CB GLU A 91 -4.309 -17.332 -22.069 1.00 0.00 C ATOM 1420 CG GLU A 91 -3.282 -18.467 -22.052 1.00 0.00 C ATOM 1421 CD GLU A 91 -3.942 -19.798 -21.686 1.00 0.00 C ATOM 1422 OE1 GLU A 91 -3.662 -20.354 -20.614 1.00 0.00 O ATOM 1423 OE2 GLU A 91 -4.773 -20.253 -22.561 1.00 0.00 O ATOM 0 H GLU A 91 -4.246 -14.148 -21.840 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.628 -16.231 -22.775 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.711 -17.186 -21.067 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.146 -17.604 -22.712 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.809 -18.549 -23.030 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.494 -18.238 -21.335 1.00 0.00 H new ATOM 1431 N HIS A 92 -4.466 -16.481 -24.800 1.00 0.00 N ATOM 1432 CA HIS A 92 -5.081 -16.173 -26.079 1.00 0.00 C ATOM 1433 C HIS A 92 -5.379 -17.471 -26.831 1.00 0.00 C ATOM 1434 O HIS A 92 -4.486 -18.062 -27.437 1.00 0.00 O ATOM 1435 CB HIS A 92 -4.206 -15.209 -26.884 1.00 0.00 C ATOM 1436 CG HIS A 92 -2.794 -15.697 -27.102 1.00 0.00 C ATOM 1437 ND1 HIS A 92 -2.373 -16.269 -28.290 1.00 0.00 N ATOM 1438 CD2 HIS A 92 -1.711 -15.693 -26.272 1.00 0.00 C ATOM 1439 CE1 HIS A 92 -1.093 -16.590 -28.169 1.00 0.00 C ATOM 1440 NE2 HIS A 92 -0.685 -16.233 -26.918 1.00 0.00 N ATOM 0 H HIS A 92 -4.147 -17.445 -24.702 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.030 -15.662 -25.917 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.673 -15.034 -27.853 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.172 -14.249 -26.369 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.692 -15.315 -25.261 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.480 -17.053 -28.928 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.254 -16.360 -26.541 1.00 0.00 H new ATOM 1448 N HIS A 93 -6.639 -17.878 -26.769 1.00 0.00 N ATOM 1449 CA HIS A 93 -7.066 -19.095 -27.436 1.00 0.00 C ATOM 1450 C HIS A 93 -8.285 -18.799 -28.313 1.00 0.00 C ATOM 1451 O HIS A 93 -8.792 -17.678 -28.319 1.00 0.00 O ATOM 1452 CB HIS A 93 -7.323 -20.210 -26.421 1.00 0.00 C ATOM 1453 CG HIS A 93 -6.310 -21.329 -26.467 1.00 0.00 C ATOM 1454 ND1 HIS A 93 -6.163 -22.162 -27.562 1.00 0.00 N ATOM 1455 CD2 HIS A 93 -5.395 -21.741 -25.543 1.00 0.00 C ATOM 1456 CE1 HIS A 93 -5.201 -23.034 -27.298 1.00 0.00 C ATOM 1457 NE2 HIS A 93 -4.727 -22.772 -26.046 1.00 0.00 N ATOM 0 H HIS A 93 -7.378 -17.386 -26.267 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.270 -19.454 -28.089 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.329 -19.781 -25.419 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.316 -20.625 -26.596 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -5.240 -21.303 -24.568 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.853 -23.815 -27.958 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.982 -23.284 -25.574 1.00 0.00 H new ATOM 1465 N HIS A 94 -8.720 -19.824 -29.032 1.00 0.00 N ATOM 1466 CA HIS A 94 -9.869 -19.687 -29.910 1.00 0.00 C ATOM 1467 C HIS A 94 -9.554 -18.678 -31.015 1.00 0.00 C ATOM 1468 O HIS A 94 -8.456 -18.126 -31.062 1.00 0.00 O ATOM 1469 CB HIS A 94 -11.122 -19.321 -29.112 1.00 0.00 C ATOM 1470 CG HIS A 94 -12.001 -20.501 -28.772 1.00 0.00 C ATOM 1471 ND1 HIS A 94 -11.548 -21.589 -28.047 1.00 0.00 N ATOM 1472 CD2 HIS A 94 -13.310 -20.751 -29.064 1.00 0.00 C ATOM 1473 CE1 HIS A 94 -12.546 -22.449 -27.916 1.00 0.00 C ATOM 1474 NE2 HIS A 94 -13.637 -21.928 -28.547 1.00 0.00 N ATOM 0 H HIS A 94 -8.297 -20.752 -29.024 1.00 0.00 H new ATOM 0 HA HIS A 94 -10.080 -20.643 -30.389 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.820 -18.828 -28.188 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -11.706 -18.599 -29.683 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.968 -20.101 -29.621 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.504 -23.397 -27.400 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.554 -22.371 -28.611 1.00 0.00 H new ATOM 1482 N HIS A 95 -10.537 -18.467 -31.878 1.00 0.00 N ATOM 1483 CA HIS A 95 -10.378 -17.534 -32.980 1.00 0.00 C ATOM 1484 C HIS A 95 -9.357 -18.085 -33.977 1.00 0.00 C ATOM 1485 O HIS A 95 -8.194 -17.685 -33.965 1.00 0.00 O ATOM 1486 CB HIS A 95 -10.010 -16.141 -32.464 1.00 0.00 C ATOM 1487 CG HIS A 95 -10.549 -15.011 -33.309 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -10.058 -14.718 -34.569 1.00 0.00 N ATOM 1489 CD2 HIS A 95 -11.540 -14.107 -33.061 1.00 0.00 C ATOM 1490 CE1 HIS A 95 -10.730 -13.681 -35.049 1.00 0.00 C ATOM 1491 NE2 HIS A 95 -11.648 -13.304 -34.112 1.00 0.00 N ATOM 0 H HIS A 95 -11.447 -18.926 -31.836 1.00 0.00 H new ATOM 0 HA HIS A 95 -11.326 -17.424 -33.507 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -10.385 -16.031 -31.446 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.924 -16.058 -32.414 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.136 -14.054 -32.162 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.578 -13.216 -36.012 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -12.308 -12.532 -34.204 1.00 0.00 H new ATOM 1499 N HIS A 96 -9.828 -18.996 -34.816 1.00 0.00 N ATOM 1500 CA HIS A 96 -8.971 -19.607 -35.817 1.00 0.00 C ATOM 1501 C HIS A 96 -9.475 -19.244 -37.215 1.00 0.00 C ATOM 1502 O HIS A 96 -10.206 -20.015 -37.835 1.00 0.00 O ATOM 1503 CB HIS A 96 -8.870 -21.118 -35.597 1.00 0.00 C ATOM 1504 CG HIS A 96 -10.187 -21.781 -35.272 1.00 0.00 C ATOM 1505 ND1 HIS A 96 -11.371 -21.444 -35.903 1.00 0.00 N ATOM 1506 CD2 HIS A 96 -10.493 -22.763 -34.376 1.00 0.00 C ATOM 1507 CE1 HIS A 96 -12.340 -22.196 -35.402 1.00 0.00 C ATOM 1508 NE2 HIS A 96 -11.794 -23.012 -34.455 1.00 0.00 N ATOM 0 H HIS A 96 -10.793 -19.326 -34.823 1.00 0.00 H new ATOM 0 HA HIS A 96 -7.958 -19.216 -35.721 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.455 -21.578 -36.494 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.168 -21.310 -34.786 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.480 -20.737 -36.630 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.795 -23.254 -33.715 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.380 -22.168 -35.692 1.00 0.00 H new ATOM 1516 N HIS A 97 -9.065 -18.069 -37.671 1.00 0.00 N ATOM 1517 CA HIS A 97 -9.466 -17.594 -38.984 1.00 0.00 C ATOM 1518 C HIS A 97 -8.452 -16.567 -39.490 1.00 0.00 C ATOM 1519 O HIS A 97 -7.246 -16.744 -39.321 1.00 0.00 O ATOM 1520 CB HIS A 97 -10.895 -17.051 -38.952 1.00 0.00 C ATOM 1521 CG HIS A 97 -11.426 -16.638 -40.304 1.00 0.00 C ATOM 1522 ND1 HIS A 97 -10.847 -15.635 -41.063 1.00 0.00 N ATOM 1523 CD2 HIS A 97 -12.486 -17.102 -41.026 1.00 0.00 C ATOM 1524 CE1 HIS A 97 -11.536 -15.510 -42.187 1.00 0.00 C ATOM 1525 NE2 HIS A 97 -12.552 -16.420 -42.162 1.00 0.00 N ATOM 0 H HIS A 97 -8.459 -17.432 -37.154 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.471 -18.425 -39.689 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.553 -17.812 -38.532 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -10.932 -16.193 -38.281 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.158 -17.891 -40.724 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.330 -14.810 -42.984 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -13.248 -16.554 -42.896 1.00 0.00 H new TER 1533 HIS A 97