USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 933 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 93 LYS NZ :NH3+ 170:sc= -0.0154 (180deg=-0.143) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 1.27 (180deg=0.597) USER MOD Single : A 7 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.056) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 19 ASN : amide:sc= -0.593 K(o=-0.59,f=0.59) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0783 (180deg=-0.473) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0.135 (180deg=-0.693) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 141:sc= 0.602 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 8:sc= 1.16 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 SER OG : rot -87:sc= 1.25 USER MOD Single : A 52 THR OG1 : rot -8:sc= 1.1 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.8) USER MOD Single : A 62 ASN : amide:sc= -3.24 K(o=-3.2,f=-5.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 71 ASN : amide:sc= -0.45 K(o=-0.45,f=-3.2!) USER MOD Single : A 75 TYR OH : rot 130:sc= -0.443 USER MOD Single : A 82 ASN : amide:sc= -1.53 K(o=-1.5,f=-5!) USER MOD Single : A 83 ASN : amide:sc= 0.0627 X(o=0.063,f=-0.065) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.038 (180deg=-0.32) USER MOD Single : A 88 GLN : amide:sc= -1.02 X(o=-1,f=-0.54) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0679 (180deg=-0.389) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.93! K(o=-0.93!,f=-0.15) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0296 (180deg=-0.191) USER MOD Single : A 100 SER OG : rot -26:sc= 0.188 USER MOD Single : A 106 GLN : amide:sc= -0.743 K(o=-0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.487 14.633 -6.050 1.00 0.00 N ATOM 2 CA MET A 1 1.470 14.480 -4.983 1.00 0.00 C ATOM 3 C MET A 1 0.957 13.047 -4.951 1.00 0.00 C ATOM 4 O MET A 1 1.314 12.234 -5.805 1.00 0.00 O ATOM 5 CB MET A 1 0.304 15.445 -5.208 1.00 0.00 C ATOM 6 CG MET A 1 0.708 16.909 -5.191 1.00 0.00 C ATOM 7 SD MET A 1 1.449 17.409 -3.626 1.00 0.00 S ATOM 8 CE MET A 1 1.720 19.154 -3.925 1.00 0.00 C ATOM 0 H1 MET A 1 3.426 14.751 -5.620 1.00 0.00 H new ATOM 0 H2 MET A 1 2.487 13.786 -6.654 1.00 0.00 H new ATOM 0 H3 MET A 1 2.262 15.469 -6.626 1.00 0.00 H new ATOM 0 HA MET A 1 1.937 14.715 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.164 15.218 -6.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.449 15.276 -4.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.415 17.096 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.169 17.526 -5.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.175 19.608 -3.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.383 19.278 -4.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.767 19.640 -4.131 1.00 0.00 H new ATOM 20 N ILE A 2 0.122 12.738 -3.968 1.00 0.00 N ATOM 21 CA ILE A 2 -0.388 11.385 -3.797 1.00 0.00 C ATOM 22 C ILE A 2 -1.867 11.312 -4.168 1.00 0.00 C ATOM 23 O ILE A 2 -2.611 12.278 -3.984 1.00 0.00 O ATOM 24 CB ILE A 2 -0.199 10.899 -2.344 1.00 0.00 C ATOM 25 CG1 ILE A 2 -1.120 11.659 -1.384 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.248 11.087 -1.927 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.023 11.185 0.051 1.00 0.00 C ATOM 0 H ILE A 2 -0.217 13.407 -3.276 1.00 0.00 H new ATOM 0 HA ILE A 2 0.181 10.736 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.459 9.841 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.877 12.721 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.151 11.555 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.379 10.743 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.895 10.510 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.511 12.143 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.702 11.768 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.295 10.131 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.002 11.315 0.409 1.00 0.00 H new ATOM 39 N ARG A 3 -2.283 10.182 -4.721 1.00 0.00 N ATOM 40 CA ARG A 3 -3.644 9.963 -5.082 1.00 0.00 C ATOM 41 C ARG A 3 -4.096 8.563 -4.694 1.00 0.00 C ATOM 42 O ARG A 3 -3.290 7.683 -4.397 1.00 0.00 O ATOM 43 CB ARG A 3 -3.781 10.115 -6.570 1.00 0.00 C ATOM 44 CG ARG A 3 -3.883 11.552 -7.052 1.00 0.00 C ATOM 45 CD ARG A 3 -4.036 11.630 -8.564 1.00 0.00 C ATOM 46 NE ARG A 3 -5.241 10.945 -9.032 1.00 0.00 N ATOM 47 CZ ARG A 3 -6.000 11.366 -10.042 1.00 0.00 C ATOM 48 NH1 ARG A 3 -5.692 12.477 -10.703 1.00 0.00 N ATOM 49 NH2 ARG A 3 -7.069 10.666 -10.391 1.00 0.00 N ATOM 0 H ARG A 3 -1.667 9.395 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.263 10.689 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.923 9.644 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.668 9.572 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.735 12.036 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.992 12.102 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.072 12.675 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.161 11.188 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.518 10.088 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.868 13.016 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.280 12.791 -11.475 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.306 9.811 -9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.655 10.982 -11.163 1.00 0.00 H new ATOM 63 N PHE A 4 -5.392 8.373 -4.738 1.00 0.00 N ATOM 64 CA PHE A 4 -6.002 7.089 -4.468 1.00 0.00 C ATOM 65 C PHE A 4 -6.947 6.739 -5.612 1.00 0.00 C ATOM 66 O PHE A 4 -7.925 7.438 -5.869 1.00 0.00 O ATOM 67 CB PHE A 4 -6.718 7.113 -3.108 1.00 0.00 C ATOM 68 CG PHE A 4 -7.985 7.926 -3.052 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.943 9.309 -2.981 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.219 7.299 -3.053 1.00 0.00 C ATOM 71 CE1 PHE A 4 -9.109 10.048 -2.915 1.00 0.00 C ATOM 72 CE2 PHE A 4 -10.386 8.031 -2.989 1.00 0.00 C ATOM 73 CZ PHE A 4 -10.332 9.407 -2.920 1.00 0.00 C ATOM 0 H PHE A 4 -6.061 9.109 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.238 6.314 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.953 6.087 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.026 7.500 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.989 9.815 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.269 6.221 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.064 11.126 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.341 7.527 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.245 9.982 -2.870 1.00 0.00 H new ATOM 83 N GLU A 5 -6.628 5.677 -6.326 1.00 0.00 N ATOM 84 CA GLU A 5 -7.383 5.311 -7.509 1.00 0.00 C ATOM 85 C GLU A 5 -8.054 3.987 -7.283 1.00 0.00 C ATOM 86 O GLU A 5 -7.583 2.932 -7.707 1.00 0.00 O ATOM 87 CB GLU A 5 -6.482 5.256 -8.744 1.00 0.00 C ATOM 88 CG GLU A 5 -5.752 6.557 -9.037 1.00 0.00 C ATOM 89 CD GLU A 5 -6.694 7.721 -9.255 1.00 0.00 C ATOM 90 OE1 GLU A 5 -6.697 8.656 -8.426 1.00 0.00 O ATOM 91 OE2 GLU A 5 -7.440 7.709 -10.255 1.00 0.00 O ATOM 0 H GLU A 5 -5.852 5.053 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.141 6.073 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.748 4.462 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.087 4.988 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.083 6.787 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.130 6.428 -9.923 1.00 0.00 H new ATOM 98 N ILE A 6 -9.166 4.067 -6.612 1.00 0.00 N ATOM 99 CA ILE A 6 -9.886 2.903 -6.199 1.00 0.00 C ATOM 100 C ILE A 6 -10.990 2.582 -7.184 1.00 0.00 C ATOM 101 O ILE A 6 -11.601 3.465 -7.786 1.00 0.00 O ATOM 102 CB ILE A 6 -10.513 3.143 -4.820 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.411 3.438 -3.800 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.375 1.948 -4.373 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.924 3.966 -2.482 1.00 0.00 C ATOM 0 H ILE A 6 -9.599 4.948 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.187 2.068 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.176 4.005 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.843 2.525 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.719 4.164 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.803 2.155 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.178 1.789 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.755 1.053 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.084 4.151 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.466 4.897 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.592 3.232 -2.032 1.00 0.00 H new ATOM 117 N HIS A 7 -11.195 1.313 -7.358 1.00 0.00 N ATOM 118 CA HIS A 7 -12.348 0.792 -8.037 1.00 0.00 C ATOM 119 C HIS A 7 -12.951 -0.246 -7.162 1.00 0.00 C ATOM 120 O HIS A 7 -12.545 -1.414 -7.197 1.00 0.00 O ATOM 121 CB HIS A 7 -11.996 0.151 -9.352 1.00 0.00 C ATOM 122 CG HIS A 7 -11.890 1.130 -10.480 1.00 0.00 C ATOM 123 ND1 HIS A 7 -10.824 1.173 -11.350 1.00 0.00 N ATOM 124 CD2 HIS A 7 -12.725 2.123 -10.865 1.00 0.00 C ATOM 125 CE1 HIS A 7 -11.008 2.151 -12.217 1.00 0.00 C ATOM 126 NE2 HIS A 7 -12.153 2.743 -11.946 1.00 0.00 N ATOM 0 H HIS A 7 -10.554 0.593 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.031 1.617 -8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.048 -0.377 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.751 -0.595 -9.598 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.668 2.380 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.333 2.421 -13.015 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.549 3.533 -12.456 1.00 0.00 H new ATOM 135 N GLY A 8 -13.880 0.145 -6.345 1.00 0.00 N ATOM 136 CA GLY A 8 -14.347 -0.800 -5.410 1.00 0.00 C ATOM 137 C GLY A 8 -15.748 -1.294 -5.714 1.00 0.00 C ATOM 138 O GLY A 8 -16.691 -0.504 -5.778 1.00 0.00 O ATOM 0 H GLY A 8 -14.307 1.071 -6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.665 -1.650 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.333 -0.356 -4.415 1.00 0.00 H new ATOM 142 N ASP A 9 -15.880 -2.596 -5.910 1.00 0.00 N ATOM 143 CA ASP A 9 -17.180 -3.221 -6.116 1.00 0.00 C ATOM 144 C ASP A 9 -17.672 -3.812 -4.803 1.00 0.00 C ATOM 145 O ASP A 9 -17.752 -5.034 -4.637 1.00 0.00 O ATOM 146 CB ASP A 9 -17.098 -4.318 -7.183 1.00 0.00 C ATOM 147 CG ASP A 9 -16.853 -3.776 -8.574 1.00 0.00 C ATOM 148 OD1 ASP A 9 -17.839 -3.524 -9.302 1.00 0.00 O ATOM 149 OD2 ASP A 9 -15.677 -3.605 -8.956 1.00 0.00 O ATOM 0 H ASP A 9 -15.095 -3.247 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.880 -2.461 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.297 -5.010 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.026 -4.889 -7.180 1.00 0.00 H new ATOM 154 N ASN A 10 -17.985 -2.933 -3.864 1.00 0.00 N ATOM 155 CA ASN A 10 -18.435 -3.342 -2.541 1.00 0.00 C ATOM 156 C ASN A 10 -19.953 -3.267 -2.481 1.00 0.00 C ATOM 157 O ASN A 10 -20.553 -3.451 -1.422 1.00 0.00 O ATOM 158 CB ASN A 10 -17.823 -2.428 -1.473 1.00 0.00 C ATOM 159 CG ASN A 10 -17.705 -3.090 -0.109 1.00 0.00 C ATOM 160 OD1 ASN A 10 -16.694 -3.718 0.195 1.00 0.00 O ATOM 161 ND2 ASN A 10 -18.724 -2.949 0.724 1.00 0.00 N ATOM 0 H ASN A 10 -17.935 -1.923 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.115 -4.366 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.834 -2.110 -1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -18.433 -1.529 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.685 -3.369 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -19.548 -2.420 0.437 1.00 0.00 H new ATOM 168 N LEU A 11 -20.552 -2.961 -3.636 1.00 0.00 N ATOM 169 CA LEU A 11 -22.002 -2.800 -3.785 1.00 0.00 C ATOM 170 C LEU A 11 -22.476 -1.494 -3.148 1.00 0.00 C ATOM 171 O LEU A 11 -23.339 -0.804 -3.688 1.00 0.00 O ATOM 172 CB LEU A 11 -22.764 -3.996 -3.201 1.00 0.00 C ATOM 173 CG LEU A 11 -22.433 -5.349 -3.839 1.00 0.00 C ATOM 174 CD1 LEU A 11 -23.241 -6.460 -3.190 1.00 0.00 C ATOM 175 CD2 LEU A 11 -22.685 -5.310 -5.338 1.00 0.00 C ATOM 0 H LEU A 11 -20.037 -2.816 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.218 -2.758 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.555 -4.054 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.833 -3.813 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.375 -5.555 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.991 -7.412 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.008 -6.506 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.305 -6.260 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.444 -6.280 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.734 -5.079 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.058 -4.543 -5.793 1.00 0.00 H new ATOM 187 N THR A 12 -21.913 -1.165 -1.999 1.00 0.00 N ATOM 188 CA THR A 12 -22.187 0.097 -1.342 1.00 0.00 C ATOM 189 C THR A 12 -20.903 0.664 -0.743 1.00 0.00 C ATOM 190 O THR A 12 -20.562 0.385 0.406 1.00 0.00 O ATOM 191 CB THR A 12 -23.255 -0.069 -0.242 1.00 0.00 C ATOM 192 OG1 THR A 12 -24.432 -0.671 -0.801 1.00 0.00 O ATOM 193 CG2 THR A 12 -23.621 1.272 0.380 1.00 0.00 C ATOM 0 H THR A 12 -21.256 -1.763 -1.498 1.00 0.00 H new ATOM 0 HA THR A 12 -22.573 0.791 -2.088 1.00 0.00 H new ATOM 0 HB THR A 12 -22.842 -0.708 0.538 1.00 0.00 H new ATOM 0 HG1 THR A 12 -25.109 -0.777 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.376 1.121 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.733 1.722 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.017 1.934 -0.390 1.00 0.00 H new ATOM 201 N ILE A 13 -20.173 1.425 -1.547 1.00 0.00 N ATOM 202 CA ILE A 13 -18.962 2.084 -1.075 1.00 0.00 C ATOM 203 C ILE A 13 -19.295 3.455 -0.503 1.00 0.00 C ATOM 204 O ILE A 13 -20.303 4.064 -0.874 1.00 0.00 O ATOM 205 CB ILE A 13 -17.880 2.212 -2.181 1.00 0.00 C ATOM 206 CG1 ILE A 13 -18.479 2.643 -3.527 1.00 0.00 C ATOM 207 CG2 ILE A 13 -17.121 0.905 -2.335 1.00 0.00 C ATOM 208 CD1 ILE A 13 -18.821 4.114 -3.614 1.00 0.00 C ATOM 0 H ILE A 13 -20.397 1.601 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.543 1.454 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.187 2.993 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -17.773 2.399 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -19.381 2.061 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.366 1.012 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.636 0.653 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -17.816 0.111 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -19.238 4.333 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -19.552 4.364 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -17.919 4.707 -3.462 1.00 0.00 H new ATOM 220 N THR A 14 -18.464 3.930 0.408 1.00 0.00 N ATOM 221 CA THR A 14 -18.694 5.209 1.048 1.00 0.00 C ATOM 222 C THR A 14 -17.405 6.018 1.112 1.00 0.00 C ATOM 223 O THR A 14 -16.312 5.487 0.889 1.00 0.00 O ATOM 224 CB THR A 14 -19.255 5.022 2.473 1.00 0.00 C ATOM 225 OG1 THR A 14 -18.446 4.088 3.199 1.00 0.00 O ATOM 226 CG2 THR A 14 -20.698 4.534 2.437 1.00 0.00 C ATOM 0 H THR A 14 -17.622 3.446 0.720 1.00 0.00 H new ATOM 0 HA THR A 14 -19.427 5.750 0.449 1.00 0.00 H new ATOM 0 HB THR A 14 -19.233 5.990 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.807 3.976 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 14 -21.066 4.411 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 14 -21.316 5.263 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 -20.746 3.578 1.916 1.00 0.00 H new ATOM 234 N ASP A 15 -17.537 7.301 1.428 1.00 0.00 N ATOM 235 CA ASP A 15 -16.384 8.186 1.545 1.00 0.00 C ATOM 236 C ASP A 15 -15.588 7.851 2.796 1.00 0.00 C ATOM 237 O ASP A 15 -14.483 8.342 2.985 1.00 0.00 O ATOM 238 CB ASP A 15 -16.813 9.656 1.570 1.00 0.00 C ATOM 239 CG ASP A 15 -17.431 10.110 0.263 1.00 0.00 C ATOM 240 OD1 ASP A 15 -16.680 10.428 -0.684 1.00 0.00 O ATOM 241 OD2 ASP A 15 -18.677 10.153 0.171 1.00 0.00 O ATOM 0 H ASP A 15 -18.434 7.753 1.608 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.753 8.033 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.530 9.807 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.947 10.279 1.793 1.00 0.00 H new ATOM 246 N ALA A 16 -16.176 7.019 3.647 1.00 0.00 N ATOM 247 CA ALA A 16 -15.512 6.497 4.838 1.00 0.00 C ATOM 248 C ALA A 16 -14.168 5.889 4.495 1.00 0.00 C ATOM 249 O ALA A 16 -13.132 6.289 5.017 1.00 0.00 O ATOM 250 CB ALA A 16 -16.375 5.414 5.448 1.00 0.00 C ATOM 0 H ALA A 16 -17.133 6.685 3.531 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.362 7.323 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.887 5.018 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.344 5.832 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.517 4.611 4.725 1.00 0.00 H new ATOM 256 N ILE A 17 -14.219 4.905 3.621 1.00 0.00 N ATOM 257 CA ILE A 17 -13.042 4.187 3.172 1.00 0.00 C ATOM 258 C ILE A 17 -12.146 5.102 2.370 1.00 0.00 C ATOM 259 O ILE A 17 -10.923 5.073 2.492 1.00 0.00 O ATOM 260 CB ILE A 17 -13.455 3.010 2.283 1.00 0.00 C ATOM 261 CG1 ILE A 17 -14.109 1.899 3.109 1.00 0.00 C ATOM 262 CG2 ILE A 17 -12.269 2.459 1.502 1.00 0.00 C ATOM 263 CD1 ILE A 17 -15.577 2.117 3.402 1.00 0.00 C ATOM 0 H ILE A 17 -15.087 4.577 3.198 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.507 3.823 4.049 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.187 3.386 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.994 0.954 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.573 1.802 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.598 1.625 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.856 3.243 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.504 2.114 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.958 1.283 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.703 3.044 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -16.129 2.182 2.465 1.00 0.00 H new ATOM 275 N ARG A 18 -12.792 5.901 1.528 1.00 0.00 N ATOM 276 CA ARG A 18 -12.082 6.844 0.711 1.00 0.00 C ATOM 277 C ARG A 18 -11.197 7.686 1.613 1.00 0.00 C ATOM 278 O ARG A 18 -10.000 7.801 1.395 1.00 0.00 O ATOM 279 CB ARG A 18 -13.035 7.751 -0.075 1.00 0.00 C ATOM 280 CG ARG A 18 -13.876 7.034 -1.116 1.00 0.00 C ATOM 281 CD ARG A 18 -14.765 8.014 -1.866 1.00 0.00 C ATOM 282 NE ARG A 18 -15.550 7.365 -2.912 1.00 0.00 N ATOM 283 CZ ARG A 18 -16.708 7.835 -3.375 1.00 0.00 C ATOM 284 NH1 ARG A 18 -17.267 8.905 -2.823 1.00 0.00 N ATOM 285 NH2 ARG A 18 -17.319 7.223 -4.379 1.00 0.00 N ATOM 0 H ARG A 18 -13.804 5.905 1.402 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.484 6.296 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.700 8.253 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.451 8.527 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.225 6.515 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.492 6.276 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.438 8.503 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.147 8.794 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.190 6.499 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.810 9.372 -2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.153 9.260 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.903 6.391 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.205 7.584 -4.733 1.00 0.00 H new ATOM 299 N ASN A 19 -11.822 8.227 2.655 1.00 0.00 N ATOM 300 CA ASN A 19 -11.129 8.933 3.722 1.00 0.00 C ATOM 301 C ASN A 19 -10.114 8.027 4.402 1.00 0.00 C ATOM 302 O ASN A 19 -8.958 8.391 4.546 1.00 0.00 O ATOM 303 CB ASN A 19 -12.140 9.447 4.754 1.00 0.00 C ATOM 304 CG ASN A 19 -12.623 10.851 4.456 1.00 0.00 C ATOM 305 OD1 ASN A 19 -13.623 11.043 3.762 1.00 0.00 O ATOM 306 ND2 ASN A 19 -11.926 11.846 4.985 1.00 0.00 N ATOM 0 H ASN A 19 -12.833 8.186 2.781 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.598 9.778 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.996 8.772 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.683 9.427 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.212 12.812 4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.103 11.646 5.554 1.00 0.00 H new ATOM 313 N TYR A 20 -10.555 6.835 4.797 1.00 0.00 N ATOM 314 CA TYR A 20 -9.697 5.871 5.485 1.00 0.00 C ATOM 315 C TYR A 20 -8.351 5.760 4.782 1.00 0.00 C ATOM 316 O TYR A 20 -7.293 5.890 5.402 1.00 0.00 O ATOM 317 CB TYR A 20 -10.364 4.485 5.516 1.00 0.00 C ATOM 318 CG TYR A 20 -9.819 3.557 6.584 1.00 0.00 C ATOM 319 CD1 TYR A 20 -10.594 3.205 7.680 1.00 0.00 C ATOM 320 CD2 TYR A 20 -8.534 3.031 6.495 1.00 0.00 C ATOM 321 CE1 TYR A 20 -10.109 2.354 8.654 1.00 0.00 C ATOM 322 CE2 TYR A 20 -8.041 2.182 7.467 1.00 0.00 C ATOM 323 CZ TYR A 20 -8.833 1.846 8.544 1.00 0.00 C ATOM 324 OH TYR A 20 -8.348 0.996 9.513 1.00 0.00 O ATOM 0 H TYR A 20 -11.511 6.511 4.651 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.545 6.223 6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.435 4.613 5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.239 4.012 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.594 3.603 7.773 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.911 3.291 5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.728 2.088 9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.041 1.784 7.383 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.434 0.728 9.285 1.00 0.00 H new ATOM 334 N ILE A 21 -8.407 5.611 3.465 1.00 0.00 N ATOM 335 CA ILE A 21 -7.239 5.296 2.697 1.00 0.00 C ATOM 336 C ILE A 21 -6.539 6.578 2.392 1.00 0.00 C ATOM 337 O ILE A 21 -5.311 6.650 2.357 1.00 0.00 O ATOM 338 CB ILE A 21 -7.633 4.606 1.386 1.00 0.00 C ATOM 339 CG1 ILE A 21 -8.323 3.269 1.684 1.00 0.00 C ATOM 340 CG2 ILE A 21 -6.421 4.405 0.484 1.00 0.00 C ATOM 341 CD1 ILE A 21 -8.715 2.489 0.448 1.00 0.00 C ATOM 0 H ILE A 21 -9.261 5.707 2.916 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.592 4.622 3.258 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.333 5.250 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.657 2.656 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.216 3.458 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.731 3.914 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.978 5.373 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.685 3.785 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.197 1.557 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.407 3.081 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.824 2.267 -0.140 1.00 0.00 H new ATOM 353 N GLU A 22 -7.350 7.610 2.240 1.00 0.00 N ATOM 354 CA GLU A 22 -6.860 8.889 1.851 1.00 0.00 C ATOM 355 C GLU A 22 -5.898 9.385 2.910 1.00 0.00 C ATOM 356 O GLU A 22 -4.760 9.781 2.641 1.00 0.00 O ATOM 357 CB GLU A 22 -8.017 9.885 1.691 1.00 0.00 C ATOM 358 CG GLU A 22 -7.589 11.315 1.406 1.00 0.00 C ATOM 359 CD GLU A 22 -7.218 11.547 -0.042 1.00 0.00 C ATOM 360 OE1 GLU A 22 -6.075 11.230 -0.428 1.00 0.00 O ATOM 361 OE2 GLU A 22 -8.065 12.074 -0.794 1.00 0.00 O ATOM 0 H GLU A 22 -8.359 7.570 2.386 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.349 8.803 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.662 9.545 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.616 9.874 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.399 11.991 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.737 11.565 2.038 1.00 0.00 H new ATOM 368 N GLU A 23 -6.370 9.275 4.128 1.00 0.00 N ATOM 369 CA GLU A 23 -5.712 9.849 5.269 1.00 0.00 C ATOM 370 C GLU A 23 -4.670 8.896 5.828 1.00 0.00 C ATOM 371 O GLU A 23 -3.605 9.332 6.259 1.00 0.00 O ATOM 372 CB GLU A 23 -6.770 10.192 6.306 1.00 0.00 C ATOM 373 CG GLU A 23 -8.011 10.793 5.663 1.00 0.00 C ATOM 374 CD GLU A 23 -9.125 11.042 6.651 1.00 0.00 C ATOM 375 OE1 GLU A 23 -9.569 12.201 6.771 1.00 0.00 O ATOM 376 OE2 GLU A 23 -9.563 10.081 7.318 1.00 0.00 O ATOM 0 H GLU A 23 -7.232 8.778 4.354 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.182 10.757 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.045 9.293 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.357 10.896 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.744 11.733 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.369 10.123 4.881 1.00 0.00 H new ATOM 383 N LYS A 24 -4.945 7.592 5.807 1.00 0.00 N ATOM 384 CA LYS A 24 -3.955 6.646 6.279 1.00 0.00 C ATOM 385 C LYS A 24 -2.738 6.677 5.353 1.00 0.00 C ATOM 386 O LYS A 24 -1.621 6.902 5.801 1.00 0.00 O ATOM 387 CB LYS A 24 -4.550 5.245 6.371 1.00 0.00 C ATOM 388 CG LYS A 24 -3.666 4.256 7.114 1.00 0.00 C ATOM 389 CD LYS A 24 -4.402 2.958 7.401 1.00 0.00 C ATOM 390 CE LYS A 24 -3.634 2.088 8.384 1.00 0.00 C ATOM 391 NZ LYS A 24 -3.468 2.753 9.704 1.00 0.00 N ATOM 0 H LYS A 24 -5.819 7.183 5.478 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.635 6.929 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.517 5.302 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.733 4.870 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.775 4.047 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.330 4.700 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.390 3.180 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.554 2.411 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.159 1.142 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.653 1.853 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.257 2.038 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.685 3.435 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.346 3.251 9.954 1.00 0.00 H new ATOM 405 N ILE A 25 -2.983 6.498 4.049 1.00 0.00 N ATOM 406 CA ILE A 25 -1.921 6.601 3.057 1.00 0.00 C ATOM 407 C ILE A 25 -1.304 7.986 3.133 1.00 0.00 C ATOM 408 O ILE A 25 -0.091 8.137 3.036 1.00 0.00 O ATOM 409 CB ILE A 25 -2.433 6.333 1.619 1.00 0.00 C ATOM 410 CG1 ILE A 25 -2.929 4.887 1.481 1.00 0.00 C ATOM 411 CG2 ILE A 25 -1.346 6.621 0.589 1.00 0.00 C ATOM 412 CD1 ILE A 25 -1.851 3.840 1.678 1.00 0.00 C ATOM 0 H ILE A 25 -3.903 6.283 3.664 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.176 5.838 3.282 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.269 7.007 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.723 4.716 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.369 4.758 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.732 6.425 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.043 7.665 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.486 5.979 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.284 2.846 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.066 3.981 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.426 3.938 2.677 1.00 0.00 H new ATOM 424 N GLY A 26 -2.150 8.992 3.340 1.00 0.00 N ATOM 425 CA GLY A 26 -1.665 10.336 3.563 1.00 0.00 C ATOM 426 C GLY A 26 -0.684 10.419 4.720 1.00 0.00 C ATOM 427 O GLY A 26 0.335 11.100 4.620 1.00 0.00 O ATOM 0 H GLY A 26 -3.165 8.896 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.182 10.699 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.510 10.995 3.760 1.00 0.00 H new ATOM 431 N LYS A 27 -0.946 9.689 5.803 1.00 0.00 N ATOM 432 CA LYS A 27 -0.120 9.803 6.986 1.00 0.00 C ATOM 433 C LYS A 27 1.125 8.970 6.814 1.00 0.00 C ATOM 434 O LYS A 27 2.174 9.257 7.396 1.00 0.00 O ATOM 435 CB LYS A 27 -0.885 9.384 8.242 1.00 0.00 C ATOM 436 CG LYS A 27 -1.423 10.560 9.043 1.00 0.00 C ATOM 437 CD LYS A 27 -2.377 11.416 8.224 1.00 0.00 C ATOM 438 CE LYS A 27 -2.797 12.662 8.984 1.00 0.00 C ATOM 439 NZ LYS A 27 -3.774 13.476 8.216 1.00 0.00 N ATOM 0 H LYS A 27 -1.715 9.023 5.878 1.00 0.00 H new ATOM 0 HA LYS A 27 0.163 10.848 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.716 8.740 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.227 8.791 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.938 10.190 9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.592 11.174 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.898 11.703 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.260 10.832 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.236 12.374 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.917 13.265 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.036 14.317 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.347 13.773 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.625 12.909 8.025 1.00 0.00 H new ATOM 453 N LEU A 28 1.004 7.936 6.003 1.00 0.00 N ATOM 454 CA LEU A 28 2.145 7.099 5.679 1.00 0.00 C ATOM 455 C LEU A 28 3.062 7.791 4.674 1.00 0.00 C ATOM 456 O LEU A 28 4.281 7.632 4.710 1.00 0.00 O ATOM 457 CB LEU A 28 1.650 5.776 5.137 1.00 0.00 C ATOM 458 CG LEU A 28 0.576 5.164 6.012 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.084 3.991 5.311 1.00 0.00 C ATOM 460 CD2 LEU A 28 1.160 4.725 7.345 1.00 0.00 C ATOM 0 H LEU A 28 0.130 7.656 5.557 1.00 0.00 H new ATOM 0 HA LEU A 28 2.728 6.922 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.257 5.922 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.487 5.083 5.055 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.184 5.923 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.852 3.566 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.540 4.332 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.665 3.231 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.374 4.288 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.941 3.984 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.585 5.588 7.858 1.00 0.00 H new ATOM 472 N GLU A 29 2.459 8.569 3.792 1.00 0.00 N ATOM 473 CA GLU A 29 3.193 9.306 2.773 1.00 0.00 C ATOM 474 C GLU A 29 3.717 10.632 3.321 1.00 0.00 C ATOM 475 O GLU A 29 4.678 11.189 2.799 1.00 0.00 O ATOM 476 CB GLU A 29 2.285 9.555 1.570 1.00 0.00 C ATOM 477 CG GLU A 29 2.674 8.766 0.330 1.00 0.00 C ATOM 478 CD GLU A 29 3.872 9.365 -0.381 1.00 0.00 C ATOM 479 OE1 GLU A 29 4.631 8.604 -1.024 1.00 0.00 O ATOM 480 OE2 GLU A 29 4.056 10.602 -0.297 1.00 0.00 O ATOM 0 H GLU A 29 1.449 8.709 3.760 1.00 0.00 H new ATOM 0 HA GLU A 29 4.052 8.709 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.260 9.303 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.299 10.618 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.899 7.737 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.828 8.731 -0.356 1.00 0.00 H new ATOM 487 N ARG A 30 3.085 11.135 4.382 1.00 0.00 N ATOM 488 CA ARG A 30 3.490 12.403 4.994 1.00 0.00 C ATOM 489 C ARG A 30 4.917 12.392 5.536 1.00 0.00 C ATOM 490 O ARG A 30 5.425 13.433 5.956 1.00 0.00 O ATOM 491 CB ARG A 30 2.535 12.805 6.102 1.00 0.00 C ATOM 492 CG ARG A 30 1.453 13.776 5.663 1.00 0.00 C ATOM 493 CD ARG A 30 0.693 14.326 6.856 1.00 0.00 C ATOM 494 NE ARG A 30 1.590 14.970 7.816 1.00 0.00 N ATOM 495 CZ ARG A 30 1.182 15.732 8.829 1.00 0.00 C ATOM 496 NH1 ARG A 30 -0.108 15.987 9.000 1.00 0.00 N ATOM 497 NH2 ARG A 30 2.072 16.249 9.663 1.00 0.00 N ATOM 0 H ARG A 30 2.291 10.684 4.836 1.00 0.00 H new ATOM 0 HA ARG A 30 3.455 13.136 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.063 11.908 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.106 13.256 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.902 14.597 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.761 13.273 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.051 15.045 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.153 13.517 7.348 1.00 0.00 H new ATOM 0 HE ARG A 30 2.593 14.826 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.795 15.599 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.414 16.571 9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.066 16.063 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.764 16.833 10.440 1.00 0.00 H new ATOM 511 N TYR A 31 5.567 11.236 5.542 1.00 0.00 N ATOM 512 CA TYR A 31 6.977 11.180 5.901 1.00 0.00 C ATOM 513 C TYR A 31 7.805 11.834 4.808 1.00 0.00 C ATOM 514 O TYR A 31 8.955 12.216 5.020 1.00 0.00 O ATOM 515 CB TYR A 31 7.437 9.738 6.124 1.00 0.00 C ATOM 516 CG TYR A 31 6.813 9.093 7.341 1.00 0.00 C ATOM 517 CD1 TYR A 31 7.186 9.486 8.618 1.00 0.00 C ATOM 518 CD2 TYR A 31 5.853 8.100 7.215 1.00 0.00 C ATOM 519 CE1 TYR A 31 6.618 8.909 9.736 1.00 0.00 C ATOM 520 CE2 TYR A 31 5.280 7.516 8.327 1.00 0.00 C ATOM 521 CZ TYR A 31 5.665 7.925 9.586 1.00 0.00 C ATOM 522 OH TYR A 31 5.090 7.351 10.698 1.00 0.00 O ATOM 0 H TYR A 31 5.148 10.337 5.306 1.00 0.00 H new ATOM 0 HA TYR A 31 7.117 11.720 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.193 9.146 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.522 9.722 6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.933 10.256 8.740 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.548 7.778 6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.919 9.227 10.723 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.534 6.743 8.211 1.00 0.00 H new ATOM 0 HH TYR A 31 4.437 6.676 10.417 1.00 0.00 H new ATOM 532 N PHE A 32 7.202 11.960 3.636 1.00 0.00 N ATOM 533 CA PHE A 32 7.831 12.572 2.499 1.00 0.00 C ATOM 534 C PHE A 32 7.111 13.854 2.176 1.00 0.00 C ATOM 535 O PHE A 32 5.989 14.071 2.635 1.00 0.00 O ATOM 536 CB PHE A 32 7.696 11.672 1.292 1.00 0.00 C ATOM 537 CG PHE A 32 7.673 10.192 1.606 1.00 0.00 C ATOM 538 CD1 PHE A 32 8.617 9.627 2.453 1.00 0.00 C ATOM 539 CD2 PHE A 32 6.713 9.365 1.048 1.00 0.00 C ATOM 540 CE1 PHE A 32 8.597 8.275 2.737 1.00 0.00 C ATOM 541 CE2 PHE A 32 6.690 8.013 1.330 1.00 0.00 C ATOM 542 CZ PHE A 32 7.632 7.468 2.174 1.00 0.00 C ATOM 0 H PHE A 32 6.253 11.634 3.456 1.00 0.00 H new ATOM 0 HA PHE A 32 8.881 12.749 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.779 11.932 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.524 11.872 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.377 10.253 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.972 9.783 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.337 7.851 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.933 7.383 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.615 6.411 2.394 1.00 0.00 H new ATOM 552 N ASN A 33 7.737 14.717 1.407 1.00 0.00 N ATOM 553 CA ASN A 33 7.019 15.859 0.896 1.00 0.00 C ATOM 554 C ASN A 33 7.089 15.949 -0.624 1.00 0.00 C ATOM 555 O ASN A 33 6.082 16.198 -1.289 1.00 0.00 O ATOM 556 CB ASN A 33 7.505 17.157 1.553 1.00 0.00 C ATOM 557 CG ASN A 33 6.869 18.395 0.947 1.00 0.00 C ATOM 558 OD1 ASN A 33 5.776 18.801 1.341 1.00 0.00 O ATOM 559 ND2 ASN A 33 7.564 19.020 0.007 1.00 0.00 N ATOM 0 H ASN A 33 8.716 14.653 1.128 1.00 0.00 H new ATOM 0 HA ASN A 33 5.970 15.721 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.283 17.125 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.588 17.225 1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.196 19.871 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.467 18.650 -0.291 1.00 0.00 H new ATOM 566 N ASP A 34 8.277 15.735 -1.170 1.00 0.00 N ATOM 567 CA ASP A 34 8.524 15.899 -2.585 1.00 0.00 C ATOM 568 C ASP A 34 8.057 14.708 -3.408 1.00 0.00 C ATOM 569 O ASP A 34 8.608 14.426 -4.472 1.00 0.00 O ATOM 570 CB ASP A 34 10.002 16.179 -2.851 1.00 0.00 C ATOM 571 CG ASP A 34 10.426 17.546 -2.358 1.00 0.00 C ATOM 572 OD1 ASP A 34 10.101 18.549 -3.027 1.00 0.00 O ATOM 573 OD2 ASP A 34 11.083 17.626 -1.298 1.00 0.00 O ATOM 0 H ASP A 34 9.096 15.442 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 34 7.934 16.759 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.608 15.415 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.197 16.105 -3.921 1.00 0.00 H new ATOM 578 N VAL A 35 7.052 14.013 -2.905 1.00 0.00 N ATOM 579 CA VAL A 35 6.494 12.848 -3.579 1.00 0.00 C ATOM 580 C VAL A 35 5.941 13.213 -4.959 1.00 0.00 C ATOM 581 O VAL A 35 5.028 14.034 -5.087 1.00 0.00 O ATOM 582 CB VAL A 35 5.377 12.194 -2.731 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.344 13.218 -2.290 1.00 0.00 C ATOM 584 CG2 VAL A 35 4.702 11.066 -3.499 1.00 0.00 C ATOM 0 H VAL A 35 6.599 14.238 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 35 7.307 12.133 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 35 5.846 11.778 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.574 12.725 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.828 13.988 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.888 13.676 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.921 10.622 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.261 11.462 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.440 10.305 -3.752 1.00 0.00 H new ATOM 594 N PRO A 36 6.516 12.622 -6.019 1.00 0.00 N ATOM 595 CA PRO A 36 6.014 12.788 -7.380 1.00 0.00 C ATOM 596 C PRO A 36 4.626 12.177 -7.544 1.00 0.00 C ATOM 597 O PRO A 36 3.688 12.849 -7.969 1.00 0.00 O ATOM 598 CB PRO A 36 7.031 12.038 -8.248 1.00 0.00 C ATOM 599 CG PRO A 36 8.233 11.862 -7.386 1.00 0.00 C ATOM 600 CD PRO A 36 7.717 11.772 -5.981 1.00 0.00 C ATOM 0 HA PRO A 36 5.912 13.839 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.636 11.075 -8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.272 12.604 -9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.782 10.961 -7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.921 12.700 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.477 10.746 -5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.447 12.136 -5.258 1.00 0.00 H new ATOM 608 N ASN A 37 4.496 10.905 -7.180 1.00 0.00 N ATOM 609 CA ASN A 37 3.224 10.202 -7.298 1.00 0.00 C ATOM 610 C ASN A 37 3.173 8.999 -6.363 1.00 0.00 C ATOM 611 O ASN A 37 4.028 8.116 -6.430 1.00 0.00 O ATOM 612 CB ASN A 37 2.999 9.742 -8.745 1.00 0.00 C ATOM 613 CG ASN A 37 1.729 8.924 -8.918 1.00 0.00 C ATOM 614 OD1 ASN A 37 1.737 7.700 -8.778 1.00 0.00 O ATOM 615 ND2 ASN A 37 0.633 9.591 -9.241 1.00 0.00 N ATOM 0 H ASN A 37 5.256 10.340 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 37 2.433 10.896 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.953 10.616 -9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.854 9.148 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.245 9.091 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.666 10.605 -9.348 1.00 0.00 H new ATOM 622 N ALA A 38 2.188 8.992 -5.476 1.00 0.00 N ATOM 623 CA ALA A 38 1.903 7.825 -4.654 1.00 0.00 C ATOM 624 C ALA A 38 0.424 7.485 -4.777 1.00 0.00 C ATOM 625 O ALA A 38 -0.430 8.278 -4.396 1.00 0.00 O ATOM 626 CB ALA A 38 2.282 8.075 -3.205 1.00 0.00 C ATOM 0 H ALA A 38 1.570 9.786 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 38 2.499 6.982 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.059 7.188 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.347 8.296 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.712 8.921 -2.821 1.00 0.00 H new ATOM 632 N VAL A 39 0.125 6.329 -5.342 1.00 0.00 N ATOM 633 CA VAL A 39 -1.216 5.960 -5.683 1.00 0.00 C ATOM 634 C VAL A 39 -1.677 4.747 -4.879 1.00 0.00 C ATOM 635 O VAL A 39 -0.861 3.958 -4.422 1.00 0.00 O ATOM 636 CB VAL A 39 -1.237 5.625 -7.185 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.258 4.560 -7.487 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.473 6.870 -8.013 1.00 0.00 C ATOM 0 H VAL A 39 0.821 5.621 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.893 6.783 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.259 5.228 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.252 4.342 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.015 3.655 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.247 4.911 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.483 6.607 -9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.431 7.313 -7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.675 7.588 -7.826 1.00 0.00 H new ATOM 648 N ALA A 40 -2.983 4.620 -4.701 1.00 0.00 N ATOM 649 CA ALA A 40 -3.573 3.384 -4.219 1.00 0.00 C ATOM 650 C ALA A 40 -4.640 2.906 -5.193 1.00 0.00 C ATOM 651 O ALA A 40 -5.798 3.312 -5.111 1.00 0.00 O ATOM 652 CB ALA A 40 -4.165 3.576 -2.829 1.00 0.00 C ATOM 0 H ALA A 40 -3.657 5.364 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.792 2.626 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.602 2.638 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.380 3.884 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.938 4.344 -2.866 1.00 0.00 H new ATOM 658 N HIS A 41 -4.226 2.084 -6.144 1.00 0.00 N ATOM 659 CA HIS A 41 -5.140 1.465 -7.096 1.00 0.00 C ATOM 660 C HIS A 41 -5.741 0.221 -6.462 1.00 0.00 C ATOM 661 O HIS A 41 -5.168 -0.862 -6.524 1.00 0.00 O ATOM 662 CB HIS A 41 -4.396 1.112 -8.391 1.00 0.00 C ATOM 663 CG HIS A 41 -5.228 0.389 -9.409 1.00 0.00 C ATOM 664 ND1 HIS A 41 -4.861 -0.823 -9.957 1.00 0.00 N ATOM 665 CD2 HIS A 41 -6.406 0.719 -9.987 1.00 0.00 C ATOM 666 CE1 HIS A 41 -5.775 -1.203 -10.827 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.722 -0.286 -10.863 1.00 0.00 N ATOM 0 H HIS A 41 -3.248 1.826 -6.279 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.940 2.161 -7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.015 2.030 -8.838 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.532 0.496 -8.142 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.988 1.608 -9.794 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.752 -2.111 -11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.556 -0.320 -11.449 1.00 0.00 H new ATOM 676 N VAL A 42 -6.886 0.389 -5.840 1.00 0.00 N ATOM 677 CA VAL A 42 -7.463 -0.620 -5.006 1.00 0.00 C ATOM 678 C VAL A 42 -8.815 -1.020 -5.546 1.00 0.00 C ATOM 679 O VAL A 42 -9.487 -0.246 -6.199 1.00 0.00 O ATOM 680 CB VAL A 42 -7.580 -0.030 -3.604 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.732 -0.622 -2.864 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.297 -0.265 -2.851 1.00 0.00 C ATOM 0 H VAL A 42 -7.442 1.242 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.845 -1.518 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.758 1.042 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.790 -0.182 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.656 -0.418 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.593 -1.700 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.381 0.157 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.108 -1.336 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.472 0.214 -3.379 1.00 0.00 H new ATOM 692 N LYS A 43 -9.169 -2.238 -5.284 1.00 0.00 N ATOM 693 CA LYS A 43 -10.423 -2.809 -5.725 1.00 0.00 C ATOM 694 C LYS A 43 -10.933 -3.736 -4.647 1.00 0.00 C ATOM 695 O LYS A 43 -10.163 -4.260 -3.849 1.00 0.00 O ATOM 696 CB LYS A 43 -10.240 -3.552 -7.059 1.00 0.00 C ATOM 697 CG LYS A 43 -11.430 -4.417 -7.456 1.00 0.00 C ATOM 698 CD LYS A 43 -11.324 -4.917 -8.887 1.00 0.00 C ATOM 699 CE LYS A 43 -11.539 -3.793 -9.889 1.00 0.00 C ATOM 700 NZ LYS A 43 -12.855 -3.119 -9.703 1.00 0.00 N ATOM 0 H LYS A 43 -8.590 -2.884 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.153 -2.018 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.056 -2.822 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.352 -4.181 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.500 -5.269 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.349 -3.843 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.342 -5.364 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.062 -5.701 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.739 -3.060 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.477 -4.193 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.073 -2.545 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.597 -3.836 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.815 -2.505 -8.865 1.00 0.00 H new ATOM 714 N VAL A 44 -12.229 -3.879 -4.595 1.00 0.00 N ATOM 715 CA VAL A 44 -12.870 -4.744 -3.638 1.00 0.00 C ATOM 716 C VAL A 44 -14.099 -5.347 -4.311 1.00 0.00 C ATOM 717 O VAL A 44 -14.580 -4.816 -5.307 1.00 0.00 O ATOM 718 CB VAL A 44 -13.300 -3.965 -2.385 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.509 -3.133 -2.704 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.597 -4.895 -1.227 1.00 0.00 C ATOM 0 H VAL A 44 -12.876 -3.396 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.172 -5.520 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.476 -3.318 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.815 -2.580 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.268 -2.432 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.323 -3.783 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.898 -4.310 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.403 -5.575 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.704 -5.471 -0.985 1.00 0.00 H new ATOM 730 N LYS A 45 -14.551 -6.460 -3.798 1.00 0.00 N ATOM 731 CA LYS A 45 -15.682 -7.200 -4.340 1.00 0.00 C ATOM 732 C LYS A 45 -16.275 -8.060 -3.239 1.00 0.00 C ATOM 733 O LYS A 45 -15.606 -8.953 -2.719 1.00 0.00 O ATOM 734 CB LYS A 45 -15.255 -8.109 -5.505 1.00 0.00 C ATOM 735 CG LYS A 45 -14.988 -7.386 -6.816 1.00 0.00 C ATOM 736 CD LYS A 45 -14.623 -8.363 -7.924 1.00 0.00 C ATOM 737 CE LYS A 45 -14.382 -7.652 -9.245 1.00 0.00 C ATOM 738 NZ LYS A 45 -14.103 -8.610 -10.348 1.00 0.00 N ATOM 0 H LYS A 45 -14.140 -6.896 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.413 -6.484 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.354 -8.649 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.033 -8.854 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.872 -6.818 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.178 -6.669 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.728 -8.917 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.424 -9.092 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.255 -7.051 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.542 -6.965 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.944 -8.085 -11.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.255 -9.166 -10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.915 -9.249 -10.466 1.00 0.00 H new ATOM 752 N THR A 46 -17.504 -7.786 -2.855 1.00 0.00 N ATOM 753 CA THR A 46 -18.147 -8.574 -1.822 1.00 0.00 C ATOM 754 C THR A 46 -19.620 -8.798 -2.138 1.00 0.00 C ATOM 755 O THR A 46 -20.467 -7.926 -1.937 1.00 0.00 O ATOM 756 CB THR A 46 -17.973 -7.936 -0.420 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.689 -8.688 0.566 1.00 0.00 O ATOM 758 CG2 THR A 46 -18.435 -6.486 -0.397 1.00 0.00 C ATOM 0 H THR A 46 -18.074 -7.032 -3.237 1.00 0.00 H new ATOM 0 HA THR A 46 -17.653 -9.545 -1.803 1.00 0.00 H new ATOM 0 HB THR A 46 -16.908 -7.955 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.164 -8.727 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.296 -6.076 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.850 -5.906 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.490 -6.436 -0.667 1.00 0.00 H new ATOM 766 N TYR A 47 -19.920 -9.972 -2.668 1.00 0.00 N ATOM 767 CA TYR A 47 -21.293 -10.344 -2.933 1.00 0.00 C ATOM 768 C TYR A 47 -21.745 -11.343 -1.881 1.00 0.00 C ATOM 769 O TYR A 47 -22.031 -12.504 -2.175 1.00 0.00 O ATOM 770 CB TYR A 47 -21.420 -10.921 -4.345 1.00 0.00 C ATOM 771 CG TYR A 47 -20.972 -9.958 -5.425 1.00 0.00 C ATOM 772 CD1 TYR A 47 -21.883 -9.128 -6.065 1.00 0.00 C ATOM 773 CD2 TYR A 47 -19.634 -9.872 -5.793 1.00 0.00 C ATOM 774 CE1 TYR A 47 -21.474 -8.239 -7.043 1.00 0.00 C ATOM 775 CE2 TYR A 47 -19.219 -8.988 -6.770 1.00 0.00 C ATOM 776 CZ TYR A 47 -20.140 -8.175 -7.391 1.00 0.00 C ATOM 777 OH TYR A 47 -19.726 -7.291 -8.360 1.00 0.00 O ATOM 0 H TYR A 47 -19.231 -10.680 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 47 -21.936 -9.465 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -20.828 -11.834 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.458 -11.201 -4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -22.928 -9.177 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -18.907 -10.506 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -22.194 -7.599 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -18.176 -8.935 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.757 -7.372 -8.484 1.00 0.00 H new ATOM 787 N SER A 48 -21.811 -10.843 -0.654 1.00 0.00 N ATOM 788 CA SER A 48 -22.192 -11.597 0.535 1.00 0.00 C ATOM 789 C SER A 48 -22.251 -10.624 1.707 1.00 0.00 C ATOM 790 O SER A 48 -22.072 -9.422 1.509 1.00 0.00 O ATOM 791 CB SER A 48 -21.203 -12.735 0.845 1.00 0.00 C ATOM 792 OG SER A 48 -21.291 -13.791 -0.098 1.00 0.00 O ATOM 0 H SER A 48 -21.593 -9.867 -0.451 1.00 0.00 H new ATOM 0 HA SER A 48 -23.162 -12.063 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.187 -12.340 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.401 -13.124 1.844 1.00 0.00 H new ATOM 0 HG SER A 48 -21.886 -13.527 -0.830 1.00 0.00 H new ATOM 798 N ASN A 49 -22.505 -11.109 2.908 1.00 0.00 N ATOM 799 CA ASN A 49 -22.593 -10.224 4.066 1.00 0.00 C ATOM 800 C ASN A 49 -21.225 -9.989 4.710 1.00 0.00 C ATOM 801 O ASN A 49 -20.860 -8.853 5.019 1.00 0.00 O ATOM 802 CB ASN A 49 -23.559 -10.795 5.106 1.00 0.00 C ATOM 803 CG ASN A 49 -23.628 -9.946 6.363 1.00 0.00 C ATOM 804 OD1 ASN A 49 -22.875 -10.160 7.313 1.00 0.00 O ATOM 805 ND2 ASN A 49 -24.533 -8.982 6.379 1.00 0.00 N ATOM 0 H ASN A 49 -22.653 -12.097 3.111 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.968 -9.265 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -24.554 -10.873 4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.247 -11.805 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -24.626 -8.383 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -25.138 -8.837 5.571 1.00 0.00 H new ATOM 812 N SER A 50 -20.467 -11.057 4.903 1.00 0.00 N ATOM 813 CA SER A 50 -19.240 -10.986 5.688 1.00 0.00 C ATOM 814 C SER A 50 -18.002 -11.153 4.822 1.00 0.00 C ATOM 815 O SER A 50 -16.892 -11.328 5.319 1.00 0.00 O ATOM 816 CB SER A 50 -19.273 -12.025 6.813 1.00 0.00 C ATOM 817 OG SER A 50 -18.285 -11.760 7.795 1.00 0.00 O ATOM 0 H SER A 50 -20.677 -11.982 4.529 1.00 0.00 H new ATOM 0 HA SER A 50 -19.182 -9.992 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.259 -12.027 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.115 -13.020 6.396 1.00 0.00 H new ATOM 0 HG SER A 50 -17.441 -12.183 7.532 1.00 0.00 H new ATOM 823 N ALA A 51 -18.207 -11.111 3.533 1.00 0.00 N ATOM 824 CA ALA A 51 -17.123 -11.332 2.581 1.00 0.00 C ATOM 825 C ALA A 51 -16.344 -10.075 2.312 1.00 0.00 C ATOM 826 O ALA A 51 -16.812 -8.971 2.584 1.00 0.00 O ATOM 827 CB ALA A 51 -17.643 -11.797 1.244 1.00 0.00 C ATOM 0 H ALA A 51 -19.114 -10.926 3.105 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.489 -12.089 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.807 -11.951 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.185 -12.734 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.313 -11.043 0.832 1.00 0.00 H new ATOM 833 N THR A 52 -15.164 -10.271 1.751 1.00 0.00 N ATOM 834 CA THR A 52 -14.475 -9.252 1.043 1.00 0.00 C ATOM 835 C THR A 52 -13.406 -9.846 0.128 1.00 0.00 C ATOM 836 O THR A 52 -12.628 -10.704 0.539 1.00 0.00 O ATOM 837 CB THR A 52 -13.799 -8.185 1.940 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.744 -7.500 2.763 1.00 0.00 O ATOM 839 CG2 THR A 52 -13.076 -7.178 1.076 1.00 0.00 C ATOM 0 H THR A 52 -14.666 -11.161 1.785 1.00 0.00 H new ATOM 0 HA THR A 52 -15.255 -8.751 0.469 1.00 0.00 H new ATOM 0 HB THR A 52 -13.096 -8.704 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.653 -7.760 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.602 -6.429 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.315 -7.686 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.789 -6.691 0.410 1.00 0.00 H new ATOM 847 N LYS A 53 -13.379 -9.399 -1.115 1.00 0.00 N ATOM 848 CA LYS A 53 -12.275 -9.707 -2.002 1.00 0.00 C ATOM 849 C LYS A 53 -11.659 -8.420 -2.505 1.00 0.00 C ATOM 850 O LYS A 53 -12.313 -7.620 -3.152 1.00 0.00 O ATOM 851 CB LYS A 53 -12.731 -10.591 -3.166 1.00 0.00 C ATOM 852 CG LYS A 53 -11.602 -11.021 -4.090 1.00 0.00 C ATOM 853 CD LYS A 53 -12.103 -11.916 -5.215 1.00 0.00 C ATOM 854 CE LYS A 53 -13.077 -11.183 -6.125 1.00 0.00 C ATOM 855 NZ LYS A 53 -13.556 -12.042 -7.239 1.00 0.00 N ATOM 0 H LYS A 53 -14.110 -8.822 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.522 -10.267 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.219 -11.480 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.479 -10.052 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.123 -10.138 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.843 -11.551 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.256 -12.273 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.591 -12.794 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.930 -10.839 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.593 -10.296 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.217 -11.503 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.745 -12.350 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.041 -12.876 -6.851 1.00 0.00 H new ATOM 869 N ILE A 54 -10.400 -8.237 -2.192 1.00 0.00 N ATOM 870 CA ILE A 54 -9.731 -6.975 -2.405 1.00 0.00 C ATOM 871 C ILE A 54 -8.575 -7.098 -3.351 1.00 0.00 C ATOM 872 O ILE A 54 -8.051 -8.190 -3.583 1.00 0.00 O ATOM 873 CB ILE A 54 -9.186 -6.388 -1.094 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.604 -7.467 -0.157 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.289 -5.623 -0.454 1.00 0.00 C ATOM 876 CD1 ILE A 54 -9.622 -8.178 0.715 1.00 0.00 C ATOM 0 H ILE A 54 -9.808 -8.959 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.490 -6.318 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.347 -5.727 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.085 -8.210 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.858 -7.003 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.936 -5.191 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.614 -4.825 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.126 -6.291 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.116 -8.917 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.126 -7.451 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.356 -8.678 0.083 1.00 0.00 H new ATOM 888 N GLU A 55 -8.172 -5.962 -3.874 1.00 0.00 N ATOM 889 CA GLU A 55 -7.038 -5.881 -4.724 1.00 0.00 C ATOM 890 C GLU A 55 -6.425 -4.511 -4.588 1.00 0.00 C ATOM 891 O GLU A 55 -6.946 -3.539 -5.088 1.00 0.00 O ATOM 892 CB GLU A 55 -7.444 -6.059 -6.161 1.00 0.00 C ATOM 893 CG GLU A 55 -7.551 -7.493 -6.636 1.00 0.00 C ATOM 894 CD GLU A 55 -7.917 -7.580 -8.100 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.097 -7.162 -8.949 1.00 0.00 O ATOM 896 OE2 GLU A 55 -9.017 -8.074 -8.414 1.00 0.00 O ATOM 0 H GLU A 55 -8.636 -5.068 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.333 -6.662 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.408 -5.572 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.723 -5.539 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.602 -8.002 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.301 -8.016 -6.043 1.00 0.00 H new ATOM 903 N VAL A 56 -5.308 -4.444 -3.958 1.00 0.00 N ATOM 904 CA VAL A 56 -4.609 -3.187 -3.801 1.00 0.00 C ATOM 905 C VAL A 56 -3.471 -3.198 -4.765 1.00 0.00 C ATOM 906 O VAL A 56 -2.932 -4.245 -5.069 1.00 0.00 O ATOM 907 CB VAL A 56 -4.043 -2.985 -2.362 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.102 -4.285 -1.655 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.590 -2.447 -2.383 1.00 0.00 C ATOM 0 H VAL A 56 -4.841 -5.245 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.310 -2.373 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.647 -2.240 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.710 -4.168 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.136 -4.626 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.503 -5.019 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.234 -2.321 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.947 -3.155 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.565 -1.486 -2.897 1.00 0.00 H new ATOM 919 N THR A 57 -3.180 -2.055 -5.277 1.00 0.00 N ATOM 920 CA THR A 57 -1.976 -1.825 -6.062 1.00 0.00 C ATOM 921 C THR A 57 -1.584 -0.371 -5.866 1.00 0.00 C ATOM 922 O THR A 57 -2.161 0.528 -6.458 1.00 0.00 O ATOM 923 CB THR A 57 -2.197 -2.071 -7.567 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.946 -3.273 -7.772 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.866 -2.166 -8.299 1.00 0.00 C ATOM 0 H THR A 57 -3.768 -1.228 -5.172 1.00 0.00 H new ATOM 0 HA THR A 57 -1.204 -2.518 -5.728 1.00 0.00 H new ATOM 0 HB THR A 57 -2.759 -1.227 -7.967 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.080 -3.415 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.046 -2.340 -9.360 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.314 -1.235 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.284 -2.992 -7.890 1.00 0.00 H new ATOM 933 N ILE A 58 -0.615 -0.164 -5.034 1.00 0.00 N ATOM 934 CA ILE A 58 -0.285 1.138 -4.510 1.00 0.00 C ATOM 935 C ILE A 58 1.121 1.560 -4.991 1.00 0.00 C ATOM 936 O ILE A 58 2.138 1.215 -4.378 1.00 0.00 O ATOM 937 CB ILE A 58 -0.339 1.021 -2.969 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.784 1.056 -2.466 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.479 2.099 -2.271 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.928 0.739 -0.993 1.00 0.00 C ATOM 0 H ILE A 58 -0.011 -0.909 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.983 1.900 -4.857 1.00 0.00 H new ATOM 0 HB ILE A 58 0.105 0.058 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.201 2.045 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.376 0.344 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.406 1.969 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.522 2.019 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.095 3.082 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.980 0.784 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.542 -0.261 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.365 1.466 -0.408 1.00 0.00 H new ATOM 952 N PRO A 59 1.201 2.220 -6.154 1.00 0.00 N ATOM 953 CA PRO A 59 2.443 2.816 -6.662 1.00 0.00 C ATOM 954 C PRO A 59 2.904 4.017 -5.846 1.00 0.00 C ATOM 955 O PRO A 59 2.408 5.124 -6.033 1.00 0.00 O ATOM 956 CB PRO A 59 2.061 3.277 -8.082 1.00 0.00 C ATOM 957 CG PRO A 59 0.841 2.500 -8.411 1.00 0.00 C ATOM 958 CD PRO A 59 0.112 2.379 -7.113 1.00 0.00 C ATOM 0 HA PRO A 59 3.268 2.105 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.868 4.349 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.863 3.077 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.236 3.010 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.092 1.520 -8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.490 3.263 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.564 1.524 -7.105 1.00 0.00 H new ATOM 966 N LEU A 60 3.854 3.801 -4.950 1.00 0.00 N ATOM 967 CA LEU A 60 4.501 4.902 -4.250 1.00 0.00 C ATOM 968 C LEU A 60 5.720 5.340 -5.045 1.00 0.00 C ATOM 969 O LEU A 60 6.005 4.766 -6.100 1.00 0.00 O ATOM 970 CB LEU A 60 4.924 4.493 -2.832 1.00 0.00 C ATOM 971 CG LEU A 60 4.123 5.138 -1.696 1.00 0.00 C ATOM 972 CD1 LEU A 60 2.672 4.695 -1.735 1.00 0.00 C ATOM 973 CD2 LEU A 60 4.748 4.804 -0.350 1.00 0.00 C ATOM 0 H LEU A 60 4.195 2.875 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 60 3.791 5.725 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.839 3.410 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.977 4.742 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 60 4.149 6.219 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.125 5.167 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.228 4.988 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.619 3.612 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.167 5.270 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.754 3.723 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.771 5.180 -0.320 1.00 0.00 H new ATOM 985 N LYS A 61 6.437 6.345 -4.552 1.00 0.00 N ATOM 986 CA LYS A 61 7.650 6.799 -5.197 1.00 0.00 C ATOM 987 C LYS A 61 8.596 5.643 -5.318 1.00 0.00 C ATOM 988 O LYS A 61 9.047 5.260 -6.400 1.00 0.00 O ATOM 989 CB LYS A 61 8.362 7.794 -4.313 1.00 0.00 C ATOM 990 CG LYS A 61 7.464 8.815 -3.639 1.00 0.00 C ATOM 991 CD LYS A 61 8.277 9.858 -2.884 1.00 0.00 C ATOM 992 CE LYS A 61 9.102 9.245 -1.759 1.00 0.00 C ATOM 993 NZ LYS A 61 10.011 10.242 -1.131 1.00 0.00 N ATOM 0 H LYS A 61 6.192 6.858 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 61 7.382 7.231 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.907 7.248 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.103 8.324 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.844 9.307 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.789 8.309 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.940 10.372 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.605 10.610 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.434 8.834 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.689 8.414 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.200 9.968 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.907 10.276 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.563 11.180 -1.149 1.00 0.00 H new ATOM 1007 N ASN A 62 8.867 5.096 -4.153 1.00 0.00 N ATOM 1008 CA ASN A 62 9.918 4.148 -3.981 1.00 0.00 C ATOM 1009 C ASN A 62 9.533 2.789 -4.555 1.00 0.00 C ATOM 1010 O ASN A 62 10.229 2.230 -5.402 1.00 0.00 O ATOM 1011 CB ASN A 62 10.253 4.027 -2.520 1.00 0.00 C ATOM 1012 CG ASN A 62 11.402 3.081 -2.234 1.00 0.00 C ATOM 1013 OD1 ASN A 62 11.390 2.377 -1.231 1.00 0.00 O ATOM 1014 ND2 ASN A 62 12.411 3.075 -3.095 1.00 0.00 N ATOM 0 H ASN A 62 8.353 5.306 -3.298 1.00 0.00 H new ATOM 0 HA ASN A 62 10.796 4.499 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.501 5.014 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.370 3.685 -1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.215 2.469 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.382 3.676 -3.918 1.00 0.00 H new ATOM 1021 N VAL A 63 8.401 2.275 -4.092 1.00 0.00 N ATOM 1022 CA VAL A 63 7.944 0.954 -4.471 1.00 0.00 C ATOM 1023 C VAL A 63 6.443 0.953 -4.772 1.00 0.00 C ATOM 1024 O VAL A 63 5.695 1.790 -4.270 1.00 0.00 O ATOM 1025 CB VAL A 63 8.257 -0.048 -3.341 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.505 0.316 -2.070 1.00 0.00 C ATOM 1027 CG2 VAL A 63 7.964 -1.483 -3.757 1.00 0.00 C ATOM 0 H VAL A 63 7.780 2.763 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 63 8.469 0.656 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 63 9.326 0.016 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.742 -0.405 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.801 1.314 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.433 0.301 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.198 -2.156 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.909 -1.579 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.574 -1.743 -4.622 1.00 0.00 H new ATOM 1037 N THR A 64 6.026 0.020 -5.604 1.00 0.00 N ATOM 1038 CA THR A 64 4.622 -0.165 -5.928 1.00 0.00 C ATOM 1039 C THR A 64 4.115 -1.457 -5.293 1.00 0.00 C ATOM 1040 O THR A 64 4.492 -2.549 -5.721 1.00 0.00 O ATOM 1041 CB THR A 64 4.411 -0.237 -7.454 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.843 0.986 -8.065 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.950 -0.497 -7.797 1.00 0.00 C ATOM 0 H THR A 64 6.651 -0.633 -6.076 1.00 0.00 H new ATOM 0 HA THR A 64 4.068 0.688 -5.538 1.00 0.00 H new ATOM 0 HB THR A 64 5.004 -1.067 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.708 0.933 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.833 -0.542 -8.880 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.636 -1.444 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.334 0.309 -7.399 1.00 0.00 H new ATOM 1051 N LEU A 65 3.285 -1.345 -4.263 1.00 0.00 N ATOM 1052 CA LEU A 65 2.737 -2.533 -3.627 1.00 0.00 C ATOM 1053 C LEU A 65 1.483 -2.985 -4.317 1.00 0.00 C ATOM 1054 O LEU A 65 0.911 -2.265 -5.127 1.00 0.00 O ATOM 1055 CB LEU A 65 2.422 -2.333 -2.148 1.00 0.00 C ATOM 1056 CG LEU A 65 3.665 -2.280 -1.238 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.229 -0.866 -1.103 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.349 -2.874 0.121 1.00 0.00 C ATOM 0 H LEU A 65 2.982 -0.460 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 65 3.516 -3.290 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.860 -1.407 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.775 -3.144 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 65 4.442 -2.880 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.103 -0.884 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.516 -0.493 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.470 -0.211 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.236 -2.830 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.543 -2.307 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.040 -3.913 0.001 1.00 0.00 H new ATOM 1070 N ARG A 66 1.076 -4.186 -4.004 1.00 0.00 N ATOM 1071 CA ARG A 66 -0.159 -4.730 -4.505 1.00 0.00 C ATOM 1072 C ARG A 66 -0.518 -5.931 -3.649 1.00 0.00 C ATOM 1073 O ARG A 66 0.345 -6.718 -3.265 1.00 0.00 O ATOM 1074 CB ARG A 66 0.024 -5.091 -5.978 1.00 0.00 C ATOM 1075 CG ARG A 66 -1.191 -5.587 -6.765 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.682 -6.951 -6.303 1.00 0.00 C ATOM 1077 NE ARG A 66 -2.584 -7.589 -7.264 1.00 0.00 N ATOM 1078 CZ ARG A 66 -3.788 -7.124 -7.598 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -4.233 -5.979 -7.095 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -4.546 -7.815 -8.436 1.00 0.00 N ATOM 0 H ARG A 66 1.593 -4.817 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.978 -4.013 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.413 -4.210 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.794 -5.860 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.000 -4.863 -6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.935 -5.638 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.824 -7.601 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.196 -6.842 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.269 -8.451 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.652 -5.447 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.156 -5.631 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.207 -8.697 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.468 -7.465 -8.696 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.781 -6.045 -3.347 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.285 -7.170 -2.555 1.00 0.00 C ATOM 1096 C ALA A 67 -3.674 -7.575 -3.019 1.00 0.00 C ATOM 1097 O ALA A 67 -4.625 -6.812 -2.917 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.289 -6.861 -1.053 1.00 0.00 C ATOM 0 H ALA A 67 -2.497 -5.377 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.604 -8.006 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.670 -7.723 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.273 -6.642 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.926 -5.998 -0.861 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.783 -8.770 -3.544 1.00 0.00 N ATOM 1105 CA GLU A 68 -5.066 -9.288 -3.981 1.00 0.00 C ATOM 1106 C GLU A 68 -5.464 -10.455 -3.083 1.00 0.00 C ATOM 1107 O GLU A 68 -4.818 -11.503 -3.089 1.00 0.00 O ATOM 1108 CB GLU A 68 -5.006 -9.715 -5.454 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.820 -10.597 -5.804 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.867 -11.076 -7.240 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -4.438 -12.158 -7.491 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.338 -10.371 -8.126 1.00 0.00 O ATOM 0 H GLU A 68 -2.999 -9.408 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.821 -8.506 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.924 -10.246 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.975 -8.822 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.896 -10.043 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.800 -11.458 -5.136 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.505 -10.264 -2.292 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.871 -11.250 -1.290 1.00 0.00 C ATOM 1121 C GLU A 69 -8.385 -11.388 -1.193 1.00 0.00 C ATOM 1122 O GLU A 69 -9.124 -10.482 -1.563 1.00 0.00 O ATOM 1123 CB GLU A 69 -6.275 -10.857 0.069 1.00 0.00 C ATOM 1124 CG GLU A 69 -6.425 -11.926 1.141 1.00 0.00 C ATOM 1125 CD GLU A 69 -5.934 -13.280 0.672 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -4.711 -13.514 0.689 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -6.772 -14.113 0.265 1.00 0.00 O ATOM 0 H GLU A 69 -7.108 -9.442 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.466 -12.217 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.216 -10.633 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.755 -9.941 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.869 -11.628 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.473 -12.002 1.432 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.834 -12.531 -0.706 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.249 -12.786 -0.516 1.00 0.00 C ATOM 1136 C ARG A 70 -10.488 -13.279 0.906 1.00 0.00 C ATOM 1137 O ARG A 70 -10.489 -14.482 1.170 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.744 -13.816 -1.535 1.00 0.00 C ATOM 1139 CG ARG A 70 -12.238 -14.068 -1.469 1.00 0.00 C ATOM 1140 CD ARG A 70 -12.688 -15.059 -2.527 1.00 0.00 C ATOM 1141 NE ARG A 70 -14.123 -15.313 -2.446 1.00 0.00 N ATOM 1142 CZ ARG A 70 -14.779 -16.166 -3.228 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -14.134 -16.848 -4.168 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -16.085 -16.341 -3.064 1.00 0.00 N ATOM 0 H ARG A 70 -8.230 -13.306 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.807 -11.862 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.486 -13.475 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.218 -14.757 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.500 -14.447 -0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.772 -13.127 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.441 -14.674 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.144 -15.996 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.658 -14.803 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.130 -16.719 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.643 -17.501 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.582 -15.822 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.591 -16.994 -3.662 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.675 -12.341 1.818 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.808 -12.660 3.233 1.00 0.00 C ATOM 1160 C ASN A 71 -12.133 -12.143 3.786 1.00 0.00 C ATOM 1161 O ASN A 71 -13.067 -11.881 3.029 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.629 -12.075 4.025 1.00 0.00 C ATOM 1163 CG ASN A 71 -9.416 -10.629 3.820 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -10.273 -9.891 3.341 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -8.257 -10.221 4.229 1.00 0.00 N ATOM 0 H ASN A 71 -10.739 -11.346 1.604 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.797 -13.745 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.793 -12.259 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.720 -12.607 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.011 -9.233 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.590 -10.887 4.618 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.219 -12.010 5.100 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.439 -11.530 5.737 1.00 0.00 C ATOM 1174 C ASP A 72 -13.462 -10.004 5.760 1.00 0.00 C ATOM 1175 O ASP A 72 -14.452 -9.375 5.381 1.00 0.00 O ATOM 1176 CB ASP A 72 -13.531 -12.081 7.163 1.00 0.00 C ATOM 1177 CG ASP A 72 -14.872 -11.818 7.818 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -15.007 -10.806 8.536 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -15.796 -12.641 7.637 1.00 0.00 O ATOM 0 H ASP A 72 -11.461 -12.227 5.747 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.297 -11.880 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.348 -13.155 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.743 -11.634 7.770 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.353 -9.419 6.186 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.231 -7.975 6.324 1.00 0.00 C ATOM 1186 C ASP A 73 -11.405 -7.373 5.234 1.00 0.00 C ATOM 1187 O ASP A 73 -10.208 -7.609 5.087 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.625 -7.608 7.678 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.610 -7.685 8.823 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.537 -6.848 8.880 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -12.446 -8.566 9.694 1.00 0.00 O ATOM 0 H ASP A 73 -11.511 -9.932 6.446 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.240 -7.568 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.788 -8.275 7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.222 -6.597 7.624 1.00 0.00 H new ATOM 1196 N LEU A 74 -12.119 -6.603 4.469 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.586 -5.601 3.598 1.00 0.00 C ATOM 1198 C LEU A 74 -10.412 -4.897 4.223 1.00 0.00 C ATOM 1199 O LEU A 74 -9.327 -4.782 3.652 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.701 -4.588 3.455 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.327 -3.186 2.954 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.476 -3.261 1.706 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.580 -2.363 2.699 1.00 0.00 C ATOM 0 H LEU A 74 -13.137 -6.660 4.434 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.253 -6.042 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.445 -5.001 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.184 -4.480 4.426 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.739 -2.695 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.227 -2.253 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.559 -3.809 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.028 -3.775 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.298 -1.372 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.193 -2.857 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.148 -2.269 3.624 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.694 -4.423 5.426 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.806 -3.556 6.107 1.00 0.00 C ATOM 1217 C TYR A 75 -8.560 -4.320 6.467 1.00 0.00 C ATOM 1218 O TYR A 75 -7.500 -3.750 6.661 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.453 -2.966 7.352 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.362 -1.912 7.049 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -12.565 -1.889 7.655 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -11.013 -0.938 6.177 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -13.429 -0.904 7.411 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -11.859 0.062 5.907 1.00 0.00 C ATOM 1225 CZ TYR A 75 -13.092 0.097 6.524 1.00 0.00 C ATOM 1226 OH TYR A 75 -13.968 1.124 6.269 1.00 0.00 O ATOM 0 H TYR A 75 -11.548 -4.640 5.939 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.551 -2.723 5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.981 -3.753 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.676 -2.591 8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.832 -2.676 8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.046 -0.968 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -14.389 -0.890 7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.578 0.838 5.210 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.502 1.981 6.361 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.724 -5.637 6.501 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.669 -6.560 6.838 1.00 0.00 C ATOM 1238 C ALA A 76 -6.870 -6.871 5.606 1.00 0.00 C ATOM 1239 O ALA A 76 -5.677 -7.099 5.677 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.256 -7.839 7.372 1.00 0.00 C ATOM 0 H ALA A 76 -9.612 -6.092 6.290 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.030 -6.108 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.452 -8.531 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.844 -7.625 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.898 -8.289 6.614 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.554 -6.907 4.473 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.879 -7.101 3.223 1.00 0.00 C ATOM 1248 C GLY A 77 -6.000 -5.912 2.905 1.00 0.00 C ATOM 1249 O GLY A 77 -4.818 -6.046 2.585 1.00 0.00 O ATOM 0 H GLY A 77 -8.567 -6.804 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.274 -8.007 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.610 -7.244 2.427 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.614 -4.738 3.002 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.906 -3.519 2.830 1.00 0.00 C ATOM 1255 C ILE A 78 -4.933 -3.293 4.011 1.00 0.00 C ATOM 1256 O ILE A 78 -3.947 -2.615 3.853 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.869 -2.317 2.667 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.734 -2.507 1.418 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -6.096 -1.006 2.577 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.657 -1.340 1.132 1.00 0.00 C ATOM 0 H ILE A 78 -7.608 -4.627 3.201 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.326 -3.594 1.910 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.513 -2.271 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.084 -2.664 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.332 -3.411 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.796 -0.178 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.512 -0.865 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.427 -1.036 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.237 -1.547 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.333 -1.195 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.066 -0.437 0.982 1.00 0.00 H new ATOM 1272 N ASP A 79 -5.209 -3.862 5.196 1.00 0.00 N ATOM 1273 CA ASP A 79 -4.231 -3.855 6.323 1.00 0.00 C ATOM 1274 C ASP A 79 -3.099 -4.794 6.040 1.00 0.00 C ATOM 1275 O ASP A 79 -1.962 -4.473 6.331 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.892 -4.242 7.645 1.00 0.00 C ATOM 1277 CG ASP A 79 -3.972 -4.056 8.834 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.761 -2.897 9.252 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -3.471 -5.066 9.373 1.00 0.00 O ATOM 0 H ASP A 79 -6.089 -4.331 5.408 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.849 -2.838 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.790 -3.640 7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.210 -5.283 7.596 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.387 -5.946 5.474 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.325 -6.801 5.012 1.00 0.00 C ATOM 1286 C LEU A 80 -1.433 -5.982 4.113 1.00 0.00 C ATOM 1287 O LEU A 80 -0.248 -5.843 4.379 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.854 -8.036 4.268 1.00 0.00 C ATOM 1289 CG LEU A 80 -3.601 -9.059 5.128 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -4.132 -10.193 4.264 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.700 -9.605 6.225 1.00 0.00 C ATOM 0 H LEU A 80 -4.331 -6.304 5.326 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.770 -7.177 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.521 -7.701 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.013 -8.537 3.789 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.445 -8.555 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.660 -10.911 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.816 -9.791 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.300 -10.690 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.253 -10.330 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.833 -10.090 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.367 -8.787 6.863 1.00 0.00 H new ATOM 1303 N ILE A 81 -2.019 -5.389 3.076 1.00 0.00 N ATOM 1304 CA ILE A 81 -1.224 -4.544 2.210 1.00 0.00 C ATOM 1305 C ILE A 81 -0.647 -3.312 2.922 1.00 0.00 C ATOM 1306 O ILE A 81 0.506 -3.009 2.729 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.989 -4.115 0.951 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.992 -3.962 -0.199 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.764 -2.816 1.164 1.00 0.00 C ATOM 1310 CD1 ILE A 81 -0.185 -2.681 -0.152 1.00 0.00 C ATOM 0 H ILE A 81 -3.004 -5.476 2.826 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.383 -5.168 1.908 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.725 -4.883 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.308 -4.810 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.534 -4.003 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.290 -2.551 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.486 -2.951 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.070 -2.018 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.498 -2.650 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.858 -1.825 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.387 -2.645 0.775 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.426 -2.624 3.742 1.00 0.00 N ATOM 1323 CA ASN A 82 -1.024 -1.329 4.307 1.00 0.00 C ATOM 1324 C ASN A 82 0.038 -1.510 5.369 1.00 0.00 C ATOM 1325 O ASN A 82 0.932 -0.685 5.536 1.00 0.00 O ATOM 1326 CB ASN A 82 -2.229 -0.620 4.930 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.957 0.834 5.247 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -1.436 1.163 6.311 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -2.332 1.716 4.338 1.00 0.00 N ATOM 0 H ASN A 82 -2.350 -2.938 4.038 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.621 -0.725 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.076 -0.685 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.516 -1.139 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.193 2.712 4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.761 1.401 3.468 1.00 0.00 H new ATOM 1336 N ASN A 83 -0.080 -2.595 6.088 1.00 0.00 N ATOM 1337 CA ASN A 83 0.825 -2.896 7.167 1.00 0.00 C ATOM 1338 C ASN A 83 2.104 -3.508 6.596 1.00 0.00 C ATOM 1339 O ASN A 83 3.214 -3.215 7.043 1.00 0.00 O ATOM 1340 CB ASN A 83 0.081 -3.821 8.126 1.00 0.00 C ATOM 1341 CG ASN A 83 0.685 -5.210 8.241 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.590 -5.444 9.042 1.00 0.00 O ATOM 1343 ND2 ASN A 83 0.178 -6.143 7.452 1.00 0.00 N ATOM 0 H ASN A 83 -0.807 -3.296 5.942 1.00 0.00 H new ATOM 0 HA ASN A 83 1.136 -2.008 7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.061 -3.362 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.954 -3.913 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.537 -7.097 7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.572 -5.909 6.801 1.00 0.00 H new ATOM 1350 N LYS A 84 1.917 -4.360 5.586 1.00 0.00 N ATOM 1351 CA LYS A 84 3.049 -4.832 4.803 1.00 0.00 C ATOM 1352 C LYS A 84 3.620 -3.672 4.006 1.00 0.00 C ATOM 1353 O LYS A 84 4.779 -3.679 3.644 1.00 0.00 O ATOM 1354 CB LYS A 84 2.664 -5.976 3.860 1.00 0.00 C ATOM 1355 CG LYS A 84 2.323 -7.280 4.567 1.00 0.00 C ATOM 1356 CD LYS A 84 3.519 -7.860 5.303 1.00 0.00 C ATOM 1357 CE LYS A 84 3.161 -9.171 5.984 1.00 0.00 C ATOM 1358 NZ LYS A 84 2.699 -10.196 5.011 1.00 0.00 N ATOM 0 H LYS A 84 1.010 -4.728 5.299 1.00 0.00 H new ATOM 0 HA LYS A 84 3.797 -5.223 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.808 -5.666 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.488 -6.155 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.512 -7.107 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.961 -8.004 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.337 -8.023 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.874 -7.146 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.030 -9.549 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.379 -8.994 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.725 -11.135 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.726 -9.980 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.323 -10.191 4.179 1.00 0.00 H new ATOM 1372 N LEU A 85 2.782 -2.677 3.743 1.00 0.00 N ATOM 1373 CA LEU A 85 3.204 -1.457 3.078 1.00 0.00 C ATOM 1374 C LEU A 85 4.171 -0.746 3.968 1.00 0.00 C ATOM 1375 O LEU A 85 5.299 -0.516 3.574 1.00 0.00 O ATOM 1376 CB LEU A 85 2.003 -0.554 2.743 1.00 0.00 C ATOM 1377 CG LEU A 85 2.311 0.763 2.018 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.120 1.183 1.176 1.00 0.00 C ATOM 1379 CD2 LEU A 85 2.647 1.870 3.011 1.00 0.00 C ATOM 0 H LEU A 85 1.792 -2.696 3.986 1.00 0.00 H new ATOM 0 HA LEU A 85 3.683 -1.709 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.308 -1.126 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.486 -0.317 3.673 1.00 0.00 H new ATOM 0 HG LEU A 85 3.176 0.600 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.347 2.119 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.905 0.410 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.251 1.323 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.861 2.792 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.800 2.029 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.521 1.582 3.596 1.00 0.00 H new ATOM 1391 N GLU A 86 3.740 -0.440 5.184 1.00 0.00 N ATOM 1392 CA GLU A 86 4.621 0.174 6.149 1.00 0.00 C ATOM 1393 C GLU A 86 5.920 -0.610 6.200 1.00 0.00 C ATOM 1394 O GLU A 86 6.996 -0.045 6.043 1.00 0.00 O ATOM 1395 CB GLU A 86 3.983 0.199 7.536 1.00 0.00 C ATOM 1396 CG GLU A 86 4.755 1.063 8.523 1.00 0.00 C ATOM 1397 CD GLU A 86 4.243 0.946 9.940 1.00 0.00 C ATOM 1398 OE1 GLU A 86 4.619 -0.026 10.632 1.00 0.00 O ATOM 1399 OE2 GLU A 86 3.473 1.827 10.375 1.00 0.00 O ATOM 0 H GLU A 86 2.791 -0.608 5.518 1.00 0.00 H new ATOM 0 HA GLU A 86 4.813 1.203 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.962 0.572 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.921 -0.819 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.807 0.780 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.698 2.105 8.207 1.00 0.00 H new ATOM 1406 N ARG A 87 5.796 -1.932 6.349 1.00 0.00 N ATOM 1407 CA ARG A 87 6.968 -2.790 6.479 1.00 0.00 C ATOM 1408 C ARG A 87 7.839 -2.802 5.212 1.00 0.00 C ATOM 1409 O ARG A 87 9.068 -2.717 5.283 1.00 0.00 O ATOM 1410 CB ARG A 87 6.527 -4.182 6.825 1.00 0.00 C ATOM 1411 CG ARG A 87 7.653 -5.118 7.228 1.00 0.00 C ATOM 1412 CD ARG A 87 7.100 -6.426 7.763 1.00 0.00 C ATOM 1413 NE ARG A 87 6.113 -6.198 8.817 1.00 0.00 N ATOM 1414 CZ ARG A 87 5.227 -7.104 9.224 1.00 0.00 C ATOM 1415 NH1 ARG A 87 5.260 -8.339 8.738 1.00 0.00 N ATOM 1416 NH2 ARG A 87 4.317 -6.776 10.131 1.00 0.00 N ATOM 0 H ARG A 87 4.903 -2.424 6.382 1.00 0.00 H new ATOM 0 HA ARG A 87 7.589 -2.384 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.806 -4.129 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.007 -4.608 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.295 -5.313 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.273 -4.642 7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.642 -6.989 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.916 -7.035 8.152 1.00 0.00 H new ATOM 0 HE ARG A 87 6.103 -5.284 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.967 -8.597 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.579 -9.030 9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.297 -5.831 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.637 -7.468 10.445 1.00 0.00 H new ATOM 1430 N GLN A 88 7.204 -2.830 4.053 1.00 0.00 N ATOM 1431 CA GLN A 88 7.907 -3.065 2.797 1.00 0.00 C ATOM 1432 C GLN A 88 8.483 -1.773 2.308 1.00 0.00 C ATOM 1433 O GLN A 88 9.655 -1.670 1.946 1.00 0.00 O ATOM 1434 CB GLN A 88 6.951 -3.601 1.749 1.00 0.00 C ATOM 1435 CG GLN A 88 6.998 -5.109 1.570 1.00 0.00 C ATOM 1436 CD GLN A 88 8.379 -5.610 1.206 1.00 0.00 C ATOM 1437 OE1 GLN A 88 8.740 -5.667 0.033 1.00 0.00 O ATOM 1438 NE2 GLN A 88 9.158 -5.989 2.209 1.00 0.00 N ATOM 0 H GLN A 88 6.198 -2.693 3.952 1.00 0.00 H new ATOM 0 HA GLN A 88 8.699 -3.795 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.936 -3.311 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.175 -3.127 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.672 -5.591 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.293 -5.401 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.820 -5.926 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.095 -6.344 2.021 1.00 0.00 H new ATOM 1447 N VAL A 89 7.596 -0.808 2.292 1.00 0.00 N ATOM 1448 CA VAL A 89 7.925 0.560 2.018 1.00 0.00 C ATOM 1449 C VAL A 89 9.115 1.000 2.846 1.00 0.00 C ATOM 1450 O VAL A 89 10.106 1.489 2.310 1.00 0.00 O ATOM 1451 CB VAL A 89 6.712 1.462 2.308 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.123 2.901 2.598 1.00 0.00 C ATOM 1453 CG2 VAL A 89 5.742 1.424 1.139 1.00 0.00 C ATOM 0 H VAL A 89 6.604 -0.961 2.474 1.00 0.00 H new ATOM 0 HA VAL A 89 8.189 0.649 0.964 1.00 0.00 H new ATOM 0 HB VAL A 89 6.224 1.074 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.234 3.500 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.778 2.924 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.651 3.309 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.887 2.065 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.244 1.778 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.398 0.401 0.985 1.00 0.00 H new ATOM 1463 N ARG A 90 9.028 0.788 4.151 1.00 0.00 N ATOM 1464 CA ARG A 90 10.114 1.199 5.046 1.00 0.00 C ATOM 1465 C ARG A 90 11.367 0.392 4.781 1.00 0.00 C ATOM 1466 O ARG A 90 12.456 0.951 4.768 1.00 0.00 O ATOM 1467 CB ARG A 90 9.766 1.107 6.538 1.00 0.00 C ATOM 1468 CG ARG A 90 9.669 -0.313 7.080 1.00 0.00 C ATOM 1469 CD ARG A 90 9.149 -0.346 8.509 1.00 0.00 C ATOM 1470 NE ARG A 90 10.062 0.294 9.454 1.00 0.00 N ATOM 1471 CZ ARG A 90 9.912 0.239 10.776 1.00 0.00 C ATOM 1472 NH1 ARG A 90 8.889 -0.426 11.304 1.00 0.00 N ATOM 1473 NH2 ARG A 90 10.782 0.848 11.572 1.00 0.00 N ATOM 0 H ARG A 90 8.235 0.343 4.613 1.00 0.00 H new ATOM 0 HA ARG A 90 10.283 2.252 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.521 1.649 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.815 1.612 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.009 -0.900 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.652 -0.783 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.180 0.152 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.988 -1.381 8.809 1.00 0.00 H new ATOM 0 HE ARG A 90 10.858 0.811 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.217 -0.895 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.776 -0.467 12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.568 1.360 11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.665 0.804 12.584 1.00 0.00 H new ATOM 1487 N LYS A 91 11.228 -0.913 4.555 1.00 0.00 N ATOM 1488 CA LYS A 91 12.392 -1.733 4.301 1.00 0.00 C ATOM 1489 C LYS A 91 13.133 -1.215 3.094 1.00 0.00 C ATOM 1490 O LYS A 91 14.343 -1.016 3.129 1.00 0.00 O ATOM 1491 CB LYS A 91 12.019 -3.167 4.109 1.00 0.00 C ATOM 1492 CG LYS A 91 11.874 -3.951 5.402 1.00 0.00 C ATOM 1493 CD LYS A 91 11.580 -5.418 5.135 1.00 0.00 C ATOM 1494 CE LYS A 91 12.806 -6.153 4.613 1.00 0.00 C ATOM 1495 NZ LYS A 91 13.907 -6.185 5.611 1.00 0.00 N ATOM 0 H LYS A 91 10.337 -1.410 4.544 1.00 0.00 H new ATOM 0 HA LYS A 91 13.044 -1.676 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.079 -3.216 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.775 -3.648 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.790 -3.863 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.071 -3.521 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.235 -5.893 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.770 -5.501 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.530 -7.173 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.157 -5.669 3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.586 -6.930 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.392 -5.265 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.515 -6.382 6.554 1.00 0.00 H new ATOM 1509 N TYR A 92 12.373 -0.926 2.053 1.00 0.00 N ATOM 1510 CA TYR A 92 12.949 -0.514 0.784 1.00 0.00 C ATOM 1511 C TYR A 92 13.504 0.915 0.861 1.00 0.00 C ATOM 1512 O TYR A 92 14.665 1.150 0.525 1.00 0.00 O ATOM 1513 CB TYR A 92 11.906 -0.631 -0.331 1.00 0.00 C ATOM 1514 CG TYR A 92 12.491 -0.987 -1.683 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.420 -0.102 -2.751 1.00 0.00 C ATOM 1516 CD2 TYR A 92 13.114 -2.212 -1.890 1.00 0.00 C ATOM 1517 CE1 TYR A 92 12.949 -0.426 -3.985 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.647 -2.542 -3.122 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.561 -1.645 -4.165 1.00 0.00 C ATOM 1520 OH TYR A 92 14.089 -1.968 -5.394 1.00 0.00 O ATOM 0 H TYR A 92 11.354 -0.969 2.061 1.00 0.00 H new ATOM 0 HA TYR A 92 13.782 -1.179 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.173 -1.388 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.371 0.315 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.942 0.857 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.183 -2.917 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.883 0.274 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.128 -3.498 -3.267 1.00 0.00 H new ATOM 0 HH TYR A 92 14.486 -2.863 -5.354 1.00 0.00 H new ATOM 1530 N LYS A 93 12.686 1.862 1.328 1.00 0.00 N ATOM 1531 CA LYS A 93 13.094 3.268 1.357 1.00 0.00 C ATOM 1532 C LYS A 93 14.182 3.504 2.398 1.00 0.00 C ATOM 1533 O LYS A 93 15.085 4.315 2.191 1.00 0.00 O ATOM 1534 CB LYS A 93 11.907 4.205 1.619 1.00 0.00 C ATOM 1535 CG LYS A 93 11.323 4.105 3.019 1.00 0.00 C ATOM 1536 CD LYS A 93 10.273 5.176 3.258 1.00 0.00 C ATOM 1537 CE LYS A 93 9.671 5.076 4.651 1.00 0.00 C ATOM 1538 NZ LYS A 93 10.682 5.290 5.720 1.00 0.00 N ATOM 0 H LYS A 93 11.748 1.684 1.687 1.00 0.00 H new ATOM 0 HA LYS A 93 13.494 3.499 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.226 5.233 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.122 3.988 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.879 3.120 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.120 4.204 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.721 6.161 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.483 5.083 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.875 5.814 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.214 4.094 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.202 5.381 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.334 4.480 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.218 6.159 5.522 1.00 0.00 H new ATOM 1552 N THR A 94 14.103 2.796 3.512 1.00 0.00 N ATOM 1553 CA THR A 94 15.103 2.924 4.551 1.00 0.00 C ATOM 1554 C THR A 94 16.391 2.207 4.135 1.00 0.00 C ATOM 1555 O THR A 94 17.489 2.682 4.424 1.00 0.00 O ATOM 1556 CB THR A 94 14.567 2.420 5.918 1.00 0.00 C ATOM 1557 OG1 THR A 94 13.581 3.342 6.408 1.00 0.00 O ATOM 1558 CG2 THR A 94 15.683 2.273 6.945 1.00 0.00 C ATOM 0 H THR A 94 13.358 2.130 3.717 1.00 0.00 H new ATOM 0 HA THR A 94 15.337 3.981 4.681 1.00 0.00 H new ATOM 0 HB THR A 94 14.125 1.436 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.238 3.027 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.266 1.918 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.420 1.556 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.163 3.239 7.101 1.00 0.00 H new ATOM 1566 N ARG A 95 16.260 1.093 3.412 1.00 0.00 N ATOM 1567 CA ARG A 95 17.432 0.412 2.871 1.00 0.00 C ATOM 1568 C ARG A 95 18.140 1.296 1.847 1.00 0.00 C ATOM 1569 O ARG A 95 19.360 1.455 1.896 1.00 0.00 O ATOM 1570 CB ARG A 95 17.053 -0.926 2.227 1.00 0.00 C ATOM 1571 CG ARG A 95 18.234 -1.671 1.628 1.00 0.00 C ATOM 1572 CD ARG A 95 19.286 -1.987 2.677 1.00 0.00 C ATOM 1573 NE ARG A 95 20.512 -2.510 2.083 1.00 0.00 N ATOM 1574 CZ ARG A 95 21.735 -2.213 2.521 1.00 0.00 C ATOM 1575 NH1 ARG A 95 21.894 -1.445 3.595 1.00 0.00 N ATOM 1576 NH2 ARG A 95 22.799 -2.694 1.889 1.00 0.00 N ATOM 0 H ARG A 95 15.368 0.651 3.191 1.00 0.00 H new ATOM 0 HA ARG A 95 18.109 0.213 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.578 -1.559 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.314 -0.747 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.886 -2.597 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.679 -1.071 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 95 19.514 -1.085 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 95 18.886 -2.715 3.383 1.00 0.00 H new ATOM 0 HE ARG A 95 20.428 -3.140 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 95 21.078 -1.081 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 95 22.832 -1.220 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 95 22.679 -3.290 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 95 23.736 -2.468 2.223 1.00 0.00 H new ATOM 1590 N ILE A 96 17.377 1.879 0.923 1.00 0.00 N ATOM 1591 CA ILE A 96 17.968 2.747 -0.091 1.00 0.00 C ATOM 1592 C ILE A 96 18.477 4.042 0.548 1.00 0.00 C ATOM 1593 O ILE A 96 19.427 4.649 0.059 1.00 0.00 O ATOM 1594 CB ILE A 96 16.982 3.062 -1.250 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.714 3.716 -2.427 1.00 0.00 C ATOM 1596 CG2 ILE A 96 15.852 3.960 -0.781 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.727 2.810 -3.094 1.00 0.00 C ATOM 0 H ILE A 96 16.365 1.768 0.856 1.00 0.00 H new ATOM 0 HA ILE A 96 18.809 2.207 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 96 16.556 2.116 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.981 4.034 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.220 4.615 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.179 4.163 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.301 3.464 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.263 4.899 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.204 3.342 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.483 2.512 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.224 1.923 -3.478 1.00 0.00 H new ATOM 1609 N ASN A 97 17.858 4.448 1.655 1.00 0.00 N ATOM 1610 CA ASN A 97 18.338 5.599 2.415 1.00 0.00 C ATOM 1611 C ASN A 97 19.703 5.281 3.013 1.00 0.00 C ATOM 1612 O ASN A 97 20.611 6.108 2.978 1.00 0.00 O ATOM 1613 CB ASN A 97 17.351 5.971 3.528 1.00 0.00 C ATOM 1614 CG ASN A 97 17.530 7.392 4.056 1.00 0.00 C ATOM 1615 OD1 ASN A 97 16.571 8.014 4.509 1.00 0.00 O ATOM 1616 ND2 ASN A 97 18.743 7.921 4.000 1.00 0.00 N ATOM 0 H ASN A 97 17.028 4.000 2.043 1.00 0.00 H new ATOM 0 HA ASN A 97 18.424 6.450 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.334 5.858 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.466 5.269 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.902 8.870 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.519 7.379 3.618 1.00 0.00 H new ATOM 1623 N ARG A 98 19.845 4.072 3.550 1.00 0.00 N ATOM 1624 CA ARG A 98 21.122 3.625 4.101 1.00 0.00 C ATOM 1625 C ARG A 98 22.178 3.512 3.007 1.00 0.00 C ATOM 1626 O ARG A 98 23.368 3.662 3.263 1.00 0.00 O ATOM 1627 CB ARG A 98 20.966 2.281 4.818 1.00 0.00 C ATOM 1628 CG ARG A 98 20.103 2.348 6.068 1.00 0.00 C ATOM 1629 CD ARG A 98 20.708 3.270 7.118 1.00 0.00 C ATOM 1630 NE ARG A 98 22.002 2.786 7.597 1.00 0.00 N ATOM 1631 CZ ARG A 98 22.894 3.545 8.232 1.00 0.00 C ATOM 1632 NH1 ARG A 98 22.669 4.844 8.401 1.00 0.00 N ATOM 1633 NH2 ARG A 98 24.017 3.006 8.684 1.00 0.00 N ATOM 0 H ARG A 98 19.094 3.385 3.615 1.00 0.00 H new ATOM 0 HA ARG A 98 21.449 4.371 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.532 1.559 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.954 1.908 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 98 19.106 2.701 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.987 1.348 6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.828 4.268 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 98 20.021 3.360 7.960 1.00 0.00 H new ATOM 0 HE ARG A 98 22.236 1.807 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.811 5.264 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.355 5.421 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 98 24.197 2.012 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.701 3.585 9.170 1.00 0.00 H new ATOM 1647 N LYS A 99 21.732 3.251 1.788 1.00 0.00 N ATOM 1648 CA LYS A 99 22.633 3.161 0.647 1.00 0.00 C ATOM 1649 C LYS A 99 22.950 4.558 0.109 1.00 0.00 C ATOM 1650 O LYS A 99 23.944 4.761 -0.590 1.00 0.00 O ATOM 1651 CB LYS A 99 21.999 2.298 -0.450 1.00 0.00 C ATOM 1652 CG LYS A 99 22.906 2.055 -1.649 1.00 0.00 C ATOM 1653 CD LYS A 99 22.235 1.178 -2.699 1.00 0.00 C ATOM 1654 CE LYS A 99 21.909 -0.206 -2.159 1.00 0.00 C ATOM 1655 NZ LYS A 99 23.126 -0.931 -1.710 1.00 0.00 N ATOM 0 H LYS A 99 20.749 3.097 1.562 1.00 0.00 H new ATOM 0 HA LYS A 99 23.565 2.696 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 99 21.714 1.337 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 99 21.083 2.779 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 99 23.181 3.010 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.829 1.581 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.319 1.659 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 99 22.889 1.085 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.213 -0.115 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.406 -0.787 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.893 -1.930 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.860 -0.865 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 23.479 -0.505 -0.829 1.00 0.00 H new ATOM 1669 N SER A 100 22.110 5.521 0.468 1.00 0.00 N ATOM 1670 CA SER A 100 22.249 6.888 -0.015 1.00 0.00 C ATOM 1671 C SER A 100 23.355 7.624 0.743 1.00 0.00 C ATOM 1672 O SER A 100 23.764 8.718 0.351 1.00 0.00 O ATOM 1673 CB SER A 100 20.915 7.633 0.124 1.00 0.00 C ATOM 1674 OG SER A 100 20.960 8.904 -0.504 1.00 0.00 O ATOM 0 H SER A 100 21.320 5.378 1.097 1.00 0.00 H new ATOM 0 HA SER A 100 22.527 6.856 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.117 7.036 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.675 7.756 1.180 1.00 0.00 H new ATOM 0 HG SER A 100 21.885 9.226 -0.525 1.00 0.00 H new ATOM 1680 N ARG A 101 23.840 7.022 1.825 1.00 0.00 N ATOM 1681 CA ARG A 101 24.942 7.600 2.588 1.00 0.00 C ATOM 1682 C ARG A 101 26.209 7.618 1.733 1.00 0.00 C ATOM 1683 O ARG A 101 27.068 8.490 1.879 1.00 0.00 O ATOM 1684 CB ARG A 101 25.200 6.797 3.870 1.00 0.00 C ATOM 1685 CG ARG A 101 25.798 5.426 3.604 1.00 0.00 C ATOM 1686 CD ARG A 101 26.192 4.701 4.877 1.00 0.00 C ATOM 1687 NE ARG A 101 26.921 3.471 4.575 1.00 0.00 N ATOM 1688 CZ ARG A 101 27.194 2.520 5.465 1.00 0.00 C ATOM 1689 NH1 ARG A 101 26.833 2.665 6.733 1.00 0.00 N ATOM 1690 NH2 ARG A 101 27.845 1.427 5.088 1.00 0.00 N ATOM 0 H ARG A 101 23.489 6.138 2.192 1.00 0.00 H new ATOM 0 HA ARG A 101 24.670 8.619 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 101 25.873 7.361 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 101 24.262 6.679 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 101 25.077 4.820 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 101 26.675 5.535 2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 101 26.811 5.352 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 101 25.300 4.466 5.457 1.00 0.00 H new ATOM 0 HE ARG A 101 27.242 3.332 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 101 26.343 3.509 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 101 27.045 1.933 7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 101 28.136 1.316 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 101 28.055 0.698 5.770 1.00 0.00 H new ATOM 1704 N ASP A 102 26.306 6.647 0.835 1.00 0.00 N ATOM 1705 CA ASP A 102 27.466 6.509 -0.027 1.00 0.00 C ATOM 1706 C ASP A 102 27.071 6.783 -1.467 1.00 0.00 C ATOM 1707 O ASP A 102 25.886 6.903 -1.788 1.00 0.00 O ATOM 1708 CB ASP A 102 28.056 5.093 0.058 1.00 0.00 C ATOM 1709 CG ASP A 102 28.481 4.689 1.456 1.00 0.00 C ATOM 1710 OD1 ASP A 102 27.935 3.689 1.979 1.00 0.00 O ATOM 1711 OD2 ASP A 102 29.365 5.354 2.035 1.00 0.00 O ATOM 0 H ASP A 102 25.587 5.939 0.686 1.00 0.00 H new ATOM 0 HA ASP A 102 28.216 7.227 0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 102 27.317 4.379 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 102 28.918 5.028 -0.606 1.00 0.00 H new ATOM 1716 N ARG A 103 28.065 6.884 -2.328 1.00 0.00 N ATOM 1717 CA ARG A 103 27.829 6.993 -3.758 1.00 0.00 C ATOM 1718 C ARG A 103 28.376 5.749 -4.442 1.00 0.00 C ATOM 1719 O ARG A 103 28.845 5.798 -5.578 1.00 0.00 O ATOM 1720 CB ARG A 103 28.480 8.258 -4.331 1.00 0.00 C ATOM 1721 CG ARG A 103 29.981 8.348 -4.100 1.00 0.00 C ATOM 1722 CD ARG A 103 30.595 9.500 -4.880 1.00 0.00 C ATOM 1723 NE ARG A 103 30.010 10.792 -4.517 1.00 0.00 N ATOM 1724 CZ ARG A 103 30.098 11.890 -5.269 1.00 0.00 C ATOM 1725 NH1 ARG A 103 30.733 11.855 -6.433 1.00 0.00 N ATOM 1726 NH2 ARG A 103 29.546 13.022 -4.853 1.00 0.00 N ATOM 0 H ARG A 103 29.050 6.893 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 103 26.757 7.070 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 103 28.286 8.299 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 103 28.003 9.131 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 103 30.180 8.480 -3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.453 7.412 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 103 31.669 9.527 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.456 9.328 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 103 29.504 10.856 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 103 31.157 10.986 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 103 30.797 12.698 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 103 29.055 13.052 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 103 29.612 13.863 -5.427 1.00 0.00 H new ATOM 1740 N GLY A 104 28.301 4.633 -3.728 1.00 0.00 N ATOM 1741 CA GLY A 104 28.886 3.395 -4.192 1.00 0.00 C ATOM 1742 C GLY A 104 30.102 3.030 -3.370 1.00 0.00 C ATOM 1743 O GLY A 104 31.052 3.806 -3.287 1.00 0.00 O ATOM 0 H GLY A 104 27.837 4.567 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 104 28.148 2.595 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 104 29.167 3.492 -5.241 1.00 0.00 H new ATOM 1747 N ASP A 105 30.073 1.865 -2.735 1.00 0.00 N ATOM 1748 CA ASP A 105 31.184 1.435 -1.888 1.00 0.00 C ATOM 1749 C ASP A 105 32.385 1.039 -2.739 1.00 0.00 C ATOM 1750 O ASP A 105 33.535 1.227 -2.341 1.00 0.00 O ATOM 1751 CB ASP A 105 30.759 0.254 -1.006 1.00 0.00 C ATOM 1752 CG ASP A 105 30.391 -0.980 -1.812 1.00 0.00 C ATOM 1753 OD1 ASP A 105 29.256 -1.038 -2.334 1.00 0.00 O ATOM 1754 OD2 ASP A 105 31.230 -1.898 -1.928 1.00 0.00 O ATOM 0 H ASP A 105 29.299 1.203 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 105 31.467 2.271 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 105 31.571 0.007 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 105 29.907 0.551 -0.395 1.00 0.00 H new ATOM 1759 N GLN A 106 32.109 0.487 -3.909 1.00 0.00 N ATOM 1760 CA GLN A 106 33.144 0.182 -4.880 1.00 0.00 C ATOM 1761 C GLN A 106 32.963 1.053 -6.114 1.00 0.00 C ATOM 1762 O GLN A 106 33.911 1.658 -6.615 1.00 0.00 O ATOM 1763 CB GLN A 106 33.105 -1.296 -5.266 1.00 0.00 C ATOM 1764 CG GLN A 106 34.238 -1.706 -6.193 1.00 0.00 C ATOM 1765 CD GLN A 106 34.247 -3.191 -6.497 1.00 0.00 C ATOM 1766 OE1 GLN A 106 35.304 -3.781 -6.706 1.00 0.00 O ATOM 1767 NE2 GLN A 106 33.075 -3.803 -6.543 1.00 0.00 N ATOM 0 H GLN A 106 31.167 0.239 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 106 34.116 0.391 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 106 33.148 -1.902 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 106 32.153 -1.513 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 106 34.155 -1.150 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 106 35.190 -1.428 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 106 32.219 -3.279 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 106 33.028 -4.799 -6.758 1.00 0.00 H new ATOM 1776 N GLU A 107 31.729 1.106 -6.595 1.00 0.00 N ATOM 1777 CA GLU A 107 31.394 1.880 -7.777 1.00 0.00 C ATOM 1778 C GLU A 107 31.179 3.341 -7.401 1.00 0.00 C ATOM 1779 O GLU A 107 30.047 3.796 -7.261 1.00 0.00 O ATOM 1780 CB GLU A 107 30.134 1.309 -8.440 1.00 0.00 C ATOM 1781 CG GLU A 107 29.802 1.942 -9.784 1.00 0.00 C ATOM 1782 CD GLU A 107 30.886 1.716 -10.816 1.00 0.00 C ATOM 1783 OE1 GLU A 107 30.778 0.740 -11.592 1.00 0.00 O ATOM 1784 OE2 GLU A 107 31.850 2.508 -10.857 1.00 0.00 O ATOM 0 H GLU A 107 30.937 0.616 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 107 32.220 1.820 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 107 30.263 0.235 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 107 29.288 1.445 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 107 28.862 1.531 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 107 29.651 3.013 -9.650 1.00 0.00 H new ATOM 1791 N VAL A 108 32.276 4.066 -7.228 1.00 0.00 N ATOM 1792 CA VAL A 108 32.211 5.471 -6.840 1.00 0.00 C ATOM 1793 C VAL A 108 32.093 6.376 -8.063 1.00 0.00 C ATOM 1794 O VAL A 108 32.185 7.599 -7.958 1.00 0.00 O ATOM 1795 CB VAL A 108 33.450 5.892 -6.015 1.00 0.00 C ATOM 1796 CG1 VAL A 108 33.504 5.135 -4.698 1.00 0.00 C ATOM 1797 CG2 VAL A 108 34.730 5.670 -6.808 1.00 0.00 C ATOM 0 H VAL A 108 33.222 3.706 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 108 31.321 5.584 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 108 33.362 6.956 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 108 34.383 5.447 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 108 32.606 5.350 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 108 33.561 4.065 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 108 35.587 5.973 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 108 34.821 4.614 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 108 34.699 6.263 -7.722 1.00 0.00 H new ATOM 1807 N PHE A 109 31.883 5.767 -9.219 1.00 0.00 N ATOM 1808 CA PHE A 109 31.791 6.505 -10.466 1.00 0.00 C ATOM 1809 C PHE A 109 30.329 6.730 -10.838 1.00 0.00 C ATOM 1810 O PHE A 109 29.757 5.996 -11.643 1.00 0.00 O ATOM 1811 CB PHE A 109 32.523 5.745 -11.578 1.00 0.00 C ATOM 1812 CG PHE A 109 32.651 6.508 -12.868 1.00 0.00 C ATOM 1813 CD1 PHE A 109 31.922 6.138 -13.986 1.00 0.00 C ATOM 1814 CD2 PHE A 109 33.505 7.593 -12.960 1.00 0.00 C ATOM 1815 CE1 PHE A 109 32.045 6.836 -15.172 1.00 0.00 C ATOM 1816 CE2 PHE A 109 33.631 8.296 -14.143 1.00 0.00 C ATOM 1817 CZ PHE A 109 32.899 7.916 -15.249 1.00 0.00 C ATOM 0 H PHE A 109 31.773 4.758 -9.318 1.00 0.00 H new ATOM 0 HA PHE A 109 32.266 7.478 -10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 109 33.520 5.480 -11.226 1.00 0.00 H new ATOM 0 HB3 PHE A 109 31.995 4.811 -11.772 1.00 0.00 H new ATOM 0 HD1 PHE A 109 31.250 5.294 -13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 109 34.080 7.894 -12.097 1.00 0.00 H new ATOM 0 HE1 PHE A 109 31.473 6.536 -16.038 1.00 0.00 H new ATOM 0 HE2 PHE A 109 34.301 9.141 -14.202 1.00 0.00 H new ATOM 0 HZ PHE A 109 32.995 8.464 -16.175 1.00 0.00 H new ATOM 1827 N VAL A 110 29.721 7.733 -10.229 1.00 0.00 N ATOM 1828 CA VAL A 110 28.337 8.071 -10.510 1.00 0.00 C ATOM 1829 C VAL A 110 28.173 9.584 -10.661 1.00 0.00 C ATOM 1830 O VAL A 110 28.200 10.314 -9.644 1.00 0.00 O ATOM 1831 CB VAL A 110 27.375 7.504 -9.432 1.00 0.00 C ATOM 1832 CG1 VAL A 110 27.825 7.885 -8.028 1.00 0.00 C ATOM 1833 CG2 VAL A 110 25.943 7.964 -9.685 1.00 0.00 C ATOM 1834 OXT VAL A 110 28.045 10.048 -11.812 1.00 0.00 O ATOM 0 H VAL A 110 30.167 8.330 -9.533 1.00 0.00 H new ATOM 0 HA VAL A 110 28.066 7.602 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 110 27.403 6.417 -9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.129 7.472 -7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.823 7.486 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 110 27.846 8.971 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 110 25.288 7.554 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 110 25.900 9.053 -9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 110 25.616 7.615 -10.664 1.00 0.00 H new TER 1844 VAL A 110