USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN : amide:sc= -3.54! K(o=-2.3!,f=0.19) USER MOD Set 1.2: A 84 THR OG1 : rot 49:sc= 1.21 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.0515 X(o=1.8,f=1.7) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -170:sc= 1.88 (180deg=2.41) USER MOD Set 3.1: A 17 GLN : amide:sc= 1.01 K(o=2.3,f=-7.8!) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 179:sc= 1.28 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -132:sc= 0.0732 (180deg=0) USER MOD Single : A 4 SER OG : rot 83:sc= 0.01 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -1.03 K(o=-1,f=-0.33) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 141:sc= 1.19 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 1.23 (180deg=-0.292!) USER MOD Single : A 55 GLN : amide:sc= 0.808 K(o=0.81,f=-5.4!) USER MOD Single : A 56 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.55! C(o=-1.5!,f=-2.9!) USER MOD Single : A 74 THR OG1 : rot 160:sc= -0.583 USER MOD Single : A 77 HIS : no HE2:sc= -3.19 K(o=-3.2,f=-8.2!) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0554) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 125:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 25.717 -10.267 -2.514 1.00 0.00 N ATOM 2 CA ALA A 1 25.482 -9.008 -3.227 1.00 0.00 C ATOM 3 C ALA A 1 24.197 -8.367 -2.702 1.00 0.00 C ATOM 4 O ALA A 1 23.865 -8.532 -1.527 1.00 0.00 O ATOM 5 CB ALA A 1 25.430 -9.278 -4.733 1.00 0.00 C ATOM 0 H1 ALA A 1 26.704 -10.303 -2.189 1.00 0.00 H new ATOM 0 H2 ALA A 1 25.080 -10.325 -1.694 1.00 0.00 H new ATOM 0 H3 ALA A 1 25.533 -11.067 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 1 26.297 -8.305 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 1 25.255 -8.343 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 1 26.377 -9.709 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 1 24.621 -9.975 -4.950 1.00 0.00 H new ATOM 13 N LEU A 2 23.466 -7.640 -3.550 1.00 0.00 N ATOM 14 CA LEU A 2 22.095 -7.197 -3.342 1.00 0.00 C ATOM 15 C LEU A 2 21.425 -7.268 -4.717 1.00 0.00 C ATOM 16 O LEU A 2 22.104 -7.059 -5.729 1.00 0.00 O ATOM 17 CB LEU A 2 22.111 -5.760 -2.789 1.00 0.00 C ATOM 18 CG LEU A 2 20.722 -5.225 -2.395 1.00 0.00 C ATOM 19 CD1 LEU A 2 20.177 -5.937 -1.152 1.00 0.00 C ATOM 20 CD2 LEU A 2 20.789 -3.720 -2.134 1.00 0.00 C ATOM 0 H LEU A 2 23.839 -7.330 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 2 21.552 -7.811 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 2 22.763 -5.725 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 2 22.545 -5.098 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 2 20.046 -5.422 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.195 -5.534 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 2 20.091 -7.005 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.857 -5.779 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 2 19.800 -3.355 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 2 21.490 -3.522 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 2 21.125 -3.209 -3.036 1.00 0.00 H new ATOM 32 N PHE A 3 20.123 -7.556 -4.788 1.00 0.00 N ATOM 33 CA PHE A 3 19.420 -7.655 -6.068 1.00 0.00 C ATOM 34 C PHE A 3 19.486 -6.339 -6.858 1.00 0.00 C ATOM 35 O PHE A 3 19.598 -6.380 -8.085 1.00 0.00 O ATOM 36 CB PHE A 3 17.976 -8.127 -5.849 1.00 0.00 C ATOM 37 CG PHE A 3 17.154 -8.207 -7.119 1.00 0.00 C ATOM 38 CD1 PHE A 3 17.472 -9.173 -8.091 1.00 0.00 C ATOM 39 CD2 PHE A 3 16.082 -7.319 -7.335 1.00 0.00 C ATOM 40 CE1 PHE A 3 16.725 -9.252 -9.277 1.00 0.00 C ATOM 41 CE2 PHE A 3 15.337 -7.400 -8.525 1.00 0.00 C ATOM 42 CZ PHE A 3 15.663 -8.360 -9.497 1.00 0.00 C ATOM 0 H PHE A 3 19.534 -7.725 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 3 19.926 -8.403 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.993 -9.110 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.484 -7.448 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.292 -9.855 -7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.833 -6.579 -6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.967 -9.998 -10.019 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.513 -6.723 -8.692 1.00 0.00 H new ATOM 0 HZ PHE A 3 15.096 -8.412 -10.415 1.00 0.00 H new ATOM 52 N SER A 4 19.462 -5.196 -6.158 1.00 0.00 N ATOM 53 CA SER A 4 19.673 -3.830 -6.646 1.00 0.00 C ATOM 54 C SER A 4 18.725 -3.324 -7.745 1.00 0.00 C ATOM 55 O SER A 4 18.830 -2.156 -8.124 1.00 0.00 O ATOM 56 CB SER A 4 21.144 -3.636 -7.031 1.00 0.00 C ATOM 57 OG SER A 4 21.958 -3.763 -5.881 1.00 0.00 O ATOM 0 H SER A 4 19.279 -5.206 -5.155 1.00 0.00 H new ATOM 0 HA SER A 4 19.408 -3.195 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.435 -4.375 -7.778 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.286 -2.654 -7.482 1.00 0.00 H new ATOM 0 HG SER A 4 22.131 -4.712 -5.705 1.00 0.00 H new ATOM 63 N GLY A 5 17.788 -4.142 -8.229 1.00 0.00 N ATOM 64 CA GLY A 5 16.738 -3.714 -9.135 1.00 0.00 C ATOM 65 C GLY A 5 15.605 -3.156 -8.292 1.00 0.00 C ATOM 66 O GLY A 5 15.671 -2.029 -7.804 1.00 0.00 O ATOM 0 H GLY A 5 17.743 -5.134 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.112 -2.957 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.389 -4.551 -9.740 1.00 0.00 H new ATOM 70 N ASP A 6 14.593 -3.979 -8.041 1.00 0.00 N ATOM 71 CA ASP A 6 13.494 -3.627 -7.149 1.00 0.00 C ATOM 72 C ASP A 6 13.947 -3.795 -5.702 1.00 0.00 C ATOM 73 O ASP A 6 15.046 -4.277 -5.436 1.00 0.00 O ATOM 74 CB ASP A 6 12.276 -4.522 -7.407 1.00 0.00 C ATOM 75 CG ASP A 6 11.557 -4.129 -8.686 1.00 0.00 C ATOM 76 OD1 ASP A 6 10.783 -3.148 -8.650 1.00 0.00 O ATOM 77 OD2 ASP A 6 11.756 -4.790 -9.726 1.00 0.00 O ATOM 0 H ASP A 6 14.511 -4.910 -8.450 1.00 0.00 H new ATOM 0 HA ASP A 6 13.210 -2.591 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.595 -5.562 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.587 -4.452 -6.565 1.00 0.00 H new ATOM 82 N ILE A 7 13.051 -3.416 -4.792 1.00 0.00 N ATOM 83 CA ILE A 7 13.062 -3.322 -3.334 1.00 0.00 C ATOM 84 C ILE A 7 13.786 -4.438 -2.558 1.00 0.00 C ATOM 85 O ILE A 7 13.236 -5.131 -1.720 1.00 0.00 O ATOM 86 CB ILE A 7 11.589 -3.204 -2.902 1.00 0.00 C ATOM 87 CG1 ILE A 7 10.617 -4.277 -3.477 1.00 0.00 C ATOM 88 CG2 ILE A 7 11.046 -1.827 -3.282 1.00 0.00 C ATOM 89 CD1 ILE A 7 11.018 -5.757 -3.355 1.00 0.00 C ATOM 0 H ILE A 7 12.137 -3.114 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 7 13.665 -2.452 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 7 11.616 -3.367 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.653 -4.151 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.466 -4.058 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.003 -1.749 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.631 -1.055 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.116 -1.693 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.243 -6.382 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.961 -5.923 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.134 -6.017 -2.303 1.00 0.00 H new ATOM 101 N ALA A 8 15.075 -4.563 -2.752 1.00 0.00 N ATOM 102 CA ALA A 8 15.865 -5.716 -2.339 1.00 0.00 C ATOM 103 C ALA A 8 16.006 -5.819 -0.826 1.00 0.00 C ATOM 104 O ALA A 8 16.266 -6.888 -0.274 1.00 0.00 O ATOM 105 CB ALA A 8 17.233 -5.640 -3.012 1.00 0.00 C ATOM 0 H ALA A 8 15.630 -3.845 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 8 15.343 -6.620 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.835 -6.498 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.107 -5.647 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.736 -4.721 -2.711 1.00 0.00 H new ATOM 111 N ASN A 9 15.797 -4.689 -0.165 1.00 0.00 N ATOM 112 CA ASN A 9 15.764 -4.549 1.263 1.00 0.00 C ATOM 113 C ASN A 9 14.429 -5.002 1.821 1.00 0.00 C ATOM 114 O ASN A 9 14.359 -5.416 2.977 1.00 0.00 O ATOM 115 CB ASN A 9 15.987 -3.076 1.598 1.00 0.00 C ATOM 116 CG ASN A 9 17.336 -2.562 1.115 1.00 0.00 C ATOM 117 OD1 ASN A 9 18.382 -3.119 1.426 1.00 0.00 O ATOM 118 ND2 ASN A 9 17.333 -1.519 0.305 1.00 0.00 N ATOM 0 H ASN A 9 15.639 -3.804 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 9 16.541 -5.170 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.193 -2.481 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.915 -2.938 2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.211 -1.164 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.452 -1.068 0.057 1.00 0.00 H new ATOM 125 N LEU A 10 13.368 -4.907 1.024 1.00 0.00 N ATOM 126 CA LEU A 10 12.028 -5.311 1.425 1.00 0.00 C ATOM 127 C LEU A 10 11.883 -6.815 1.171 1.00 0.00 C ATOM 128 O LEU A 10 11.297 -7.233 0.173 1.00 0.00 O ATOM 129 CB LEU A 10 10.991 -4.546 0.610 1.00 0.00 C ATOM 130 CG LEU A 10 10.804 -3.043 0.852 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.968 -2.782 2.108 1.00 0.00 C ATOM 132 CD2 LEU A 10 12.081 -2.191 0.886 1.00 0.00 C ATOM 0 H LEU A 10 13.417 -4.543 0.072 1.00 0.00 H new ATOM 0 HA LEU A 10 11.870 -5.092 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.239 -4.680 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.026 -5.026 0.774 1.00 0.00 H new ATOM 0 HG LEU A 10 10.273 -2.711 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.853 -1.708 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.985 -3.239 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.469 -3.213 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.818 -1.148 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.732 -2.543 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.601 -2.276 -0.068 1.00 0.00 H new ATOM 144 N THR A 11 12.413 -7.644 2.065 1.00 0.00 N ATOM 145 CA THR A 11 12.161 -9.071 2.033 1.00 0.00 C ATOM 146 C THR A 11 10.773 -9.322 2.637 1.00 0.00 C ATOM 147 O THR A 11 10.181 -8.447 3.265 1.00 0.00 O ATOM 148 CB THR A 11 13.267 -9.817 2.807 1.00 0.00 C ATOM 149 OG1 THR A 11 14.408 -9.005 3.058 1.00 0.00 O ATOM 150 CG2 THR A 11 13.745 -11.034 2.026 1.00 0.00 C ATOM 0 H THR A 11 13.024 -7.344 2.824 1.00 0.00 H new ATOM 0 HA THR A 11 12.176 -9.447 1.010 1.00 0.00 H new ATOM 0 HB THR A 11 12.816 -10.106 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.077 -9.524 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.525 -11.545 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.909 -11.714 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.144 -10.715 1.063 1.00 0.00 H new ATOM 158 N ALA A 12 10.268 -10.535 2.500 1.00 0.00 N ATOM 159 CA ALA A 12 8.980 -10.988 3.019 1.00 0.00 C ATOM 160 C ALA A 12 8.933 -10.869 4.527 1.00 0.00 C ATOM 161 O ALA A 12 8.092 -10.146 5.047 1.00 0.00 O ATOM 162 CB ALA A 12 8.720 -12.426 2.564 1.00 0.00 C ATOM 0 H ALA A 12 10.766 -11.271 2.000 1.00 0.00 H new ATOM 0 HA ALA A 12 8.191 -10.350 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.759 -12.762 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.706 -12.466 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.510 -13.075 2.940 1.00 0.00 H new ATOM 168 N ALA A 13 9.861 -11.510 5.229 1.00 0.00 N ATOM 169 CA ALA A 13 9.936 -11.416 6.680 1.00 0.00 C ATOM 170 C ALA A 13 10.234 -9.986 7.135 1.00 0.00 C ATOM 171 O ALA A 13 9.982 -9.641 8.292 1.00 0.00 O ATOM 172 CB ALA A 13 11.019 -12.360 7.197 1.00 0.00 C ATOM 0 H ALA A 13 10.577 -12.105 4.811 1.00 0.00 H new ATOM 0 HA ALA A 13 8.967 -11.702 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.075 -12.289 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.776 -13.384 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.980 -12.082 6.765 1.00 0.00 H new ATOM 178 N GLU A 14 10.790 -9.161 6.250 1.00 0.00 N ATOM 179 CA GLU A 14 11.129 -7.779 6.508 1.00 0.00 C ATOM 180 C GLU A 14 9.895 -6.899 6.381 1.00 0.00 C ATOM 181 O GLU A 14 9.728 -5.965 7.156 1.00 0.00 O ATOM 182 CB GLU A 14 12.195 -7.341 5.495 1.00 0.00 C ATOM 183 CG GLU A 14 13.154 -6.337 6.139 1.00 0.00 C ATOM 184 CD GLU A 14 14.293 -7.053 6.864 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.008 -7.932 7.709 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.473 -6.755 6.559 1.00 0.00 O ATOM 0 H GLU A 14 11.022 -9.456 5.301 1.00 0.00 H new ATOM 0 HA GLU A 14 11.515 -7.678 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.750 -8.210 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.717 -6.892 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.563 -5.678 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.609 -5.708 6.843 1.00 0.00 H new ATOM 193 N ILE A 15 9.030 -7.174 5.412 1.00 0.00 N ATOM 194 CA ILE A 15 7.744 -6.539 5.254 1.00 0.00 C ATOM 195 C ILE A 15 6.851 -6.999 6.395 1.00 0.00 C ATOM 196 O ILE A 15 6.316 -6.144 7.091 1.00 0.00 O ATOM 197 CB ILE A 15 7.239 -6.832 3.820 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.939 -5.861 2.847 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.724 -6.698 3.708 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.605 -6.080 1.364 1.00 0.00 C ATOM 0 H ILE A 15 9.220 -7.872 4.693 1.00 0.00 H new ATOM 0 HA ILE A 15 7.770 -5.452 5.331 1.00 0.00 H new ATOM 0 HB ILE A 15 7.482 -7.864 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.669 -4.840 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.017 -5.952 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.414 -6.912 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.245 -7.403 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.428 -5.683 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.143 -5.351 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.901 -7.087 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.533 -5.958 1.211 1.00 0.00 H new ATOM 212 N GLU A 16 6.734 -8.301 6.642 1.00 0.00 N ATOM 213 CA GLU A 16 5.932 -8.807 7.752 1.00 0.00 C ATOM 214 C GLU A 16 6.330 -8.118 9.059 1.00 0.00 C ATOM 215 O GLU A 16 5.498 -7.463 9.676 1.00 0.00 O ATOM 216 CB GLU A 16 6.097 -10.323 7.892 1.00 0.00 C ATOM 217 CG GLU A 16 5.491 -11.153 6.747 1.00 0.00 C ATOM 218 CD GLU A 16 4.010 -11.479 6.956 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.198 -10.561 7.186 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.648 -12.680 6.894 1.00 0.00 O ATOM 0 H GLU A 16 7.186 -9.027 6.086 1.00 0.00 H new ATOM 0 HA GLU A 16 4.886 -8.587 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.160 -10.552 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.640 -10.638 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.608 -10.608 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.050 -12.083 6.646 1.00 0.00 H new ATOM 227 N GLN A 17 7.601 -8.191 9.472 1.00 0.00 N ATOM 228 CA GLN A 17 8.033 -7.641 10.753 1.00 0.00 C ATOM 229 C GLN A 17 8.112 -6.123 10.681 1.00 0.00 C ATOM 230 O GLN A 17 8.071 -5.448 11.713 1.00 0.00 O ATOM 231 CB GLN A 17 9.418 -8.192 11.082 1.00 0.00 C ATOM 232 CG GLN A 17 9.775 -8.234 12.567 1.00 0.00 C ATOM 233 CD GLN A 17 8.928 -9.247 13.329 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.171 -8.899 14.227 1.00 0.00 O ATOM 235 NE2 GLN A 17 9.008 -10.521 12.976 1.00 0.00 N ATOM 0 H GLN A 17 8.348 -8.628 8.932 1.00 0.00 H new ATOM 0 HA GLN A 17 7.314 -7.923 11.522 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.493 -9.202 10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.163 -7.587 10.564 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.830 -8.485 12.679 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.635 -7.244 13.002 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.640 -10.804 12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.437 -11.219 13.453 1.00 0.00 H new ATOM 244 N GLY A 18 8.270 -5.588 9.472 1.00 0.00 N ATOM 245 CA GLY A 18 8.328 -4.176 9.213 1.00 0.00 C ATOM 246 C GLY A 18 6.981 -3.566 9.541 1.00 0.00 C ATOM 247 O GLY A 18 6.919 -2.484 10.128 1.00 0.00 O ATOM 0 H GLY A 18 8.363 -6.154 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.109 -3.713 9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.581 -3.994 8.169 1.00 0.00 H new ATOM 251 N PHE A 19 5.905 -4.270 9.177 1.00 0.00 N ATOM 252 CA PHE A 19 4.572 -3.682 9.145 1.00 0.00 C ATOM 253 C PHE A 19 3.586 -4.376 10.086 1.00 0.00 C ATOM 254 O PHE A 19 2.413 -4.019 10.125 1.00 0.00 O ATOM 255 CB PHE A 19 4.166 -3.561 7.672 1.00 0.00 C ATOM 256 CG PHE A 19 5.206 -2.761 6.889 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.573 -1.469 7.313 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.959 -3.377 5.875 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.668 -0.804 6.733 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.086 -2.737 5.331 1.00 0.00 C ATOM 261 CZ PHE A 19 7.432 -1.445 5.746 1.00 0.00 C ATOM 0 H PHE A 19 5.937 -5.251 8.900 1.00 0.00 H new ATOM 0 HA PHE A 19 4.565 -2.676 9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.060 -4.554 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.193 -3.075 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.006 -0.983 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.669 -4.351 5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.920 0.198 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.687 -3.243 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.283 -0.944 5.308 1.00 0.00 H new ATOM 271 N LYS A 20 4.084 -5.272 10.944 1.00 0.00 N ATOM 272 CA LYS A 20 3.349 -6.080 11.922 1.00 0.00 C ATOM 273 C LYS A 20 2.469 -5.309 12.928 1.00 0.00 C ATOM 274 O LYS A 20 1.671 -5.912 13.654 1.00 0.00 O ATOM 275 CB LYS A 20 4.383 -6.996 12.626 1.00 0.00 C ATOM 276 CG LYS A 20 3.815 -8.388 12.942 1.00 0.00 C ATOM 277 CD LYS A 20 4.787 -9.250 13.756 1.00 0.00 C ATOM 278 CE LYS A 20 4.866 -8.719 15.194 1.00 0.00 C ATOM 279 NZ LYS A 20 6.039 -9.217 15.930 1.00 0.00 N ATOM 0 H LYS A 20 5.085 -5.466 10.975 1.00 0.00 H new ATOM 0 HA LYS A 20 2.602 -6.654 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.262 -7.101 11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.713 -6.523 13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.882 -8.279 13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.575 -8.899 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.454 -10.288 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.775 -9.234 13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.894 -7.630 15.172 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.961 -9.003 15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.046 -8.811 16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.994 -10.254 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.907 -8.939 15.429 1.00 0.00 H new ATOM 293 N ASP A 21 2.580 -3.984 12.975 1.00 0.00 N ATOM 294 CA ASP A 21 1.753 -3.082 13.792 1.00 0.00 C ATOM 295 C ASP A 21 0.386 -2.849 13.147 1.00 0.00 C ATOM 296 O ASP A 21 -0.601 -2.634 13.851 1.00 0.00 O ATOM 297 CB ASP A 21 2.467 -1.727 13.951 1.00 0.00 C ATOM 298 CG ASP A 21 1.526 -0.553 14.280 1.00 0.00 C ATOM 299 OD1 ASP A 21 0.823 -0.571 15.320 1.00 0.00 O ATOM 300 OD2 ASP A 21 1.532 0.434 13.509 1.00 0.00 O ATOM 0 H ASP A 21 3.276 -3.482 12.424 1.00 0.00 H new ATOM 0 HA ASP A 21 1.606 -3.549 14.766 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.213 -1.813 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.003 -1.501 13.029 1.00 0.00 H new ATOM 305 N VAL A 22 0.293 -2.912 11.822 1.00 0.00 N ATOM 306 CA VAL A 22 -0.941 -2.696 11.080 1.00 0.00 C ATOM 307 C VAL A 22 -1.430 -4.074 10.610 1.00 0.00 C ATOM 308 O VAL A 22 -0.665 -5.046 10.670 1.00 0.00 O ATOM 309 CB VAL A 22 -0.720 -1.655 9.951 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.695 -0.470 10.083 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.678 -1.004 9.918 1.00 0.00 C ATOM 0 H VAL A 22 1.092 -3.119 11.223 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.728 -2.257 11.694 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.869 -2.248 9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.514 0.241 9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.721 -0.834 10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.541 0.023 11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.729 -0.293 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.859 -0.483 10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.435 -1.775 9.779 1.00 0.00 H new ATOM 321 N PRO A 23 -2.701 -4.233 10.201 1.00 0.00 N ATOM 322 CA PRO A 23 -3.128 -5.497 9.659 1.00 0.00 C ATOM 323 C PRO A 23 -2.519 -5.685 8.273 1.00 0.00 C ATOM 324 O PRO A 23 -1.911 -4.784 7.678 1.00 0.00 O ATOM 325 CB PRO A 23 -4.653 -5.473 9.654 1.00 0.00 C ATOM 326 CG PRO A 23 -4.943 -4.003 9.416 1.00 0.00 C ATOM 327 CD PRO A 23 -3.783 -3.271 10.096 1.00 0.00 C ATOM 0 HA PRO A 23 -2.792 -6.348 10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.069 -6.104 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.070 -5.824 10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.988 -3.774 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.902 -3.713 9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.476 -2.402 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.077 -2.907 11.080 1.00 0.00 H new ATOM 335 N SER A 24 -2.739 -6.883 7.767 1.00 0.00 N ATOM 336 CA SER A 24 -2.407 -7.266 6.417 1.00 0.00 C ATOM 337 C SER A 24 -3.689 -7.698 5.720 1.00 0.00 C ATOM 338 O SER A 24 -4.744 -7.846 6.355 1.00 0.00 O ATOM 339 CB SER A 24 -1.331 -8.362 6.449 1.00 0.00 C ATOM 340 OG SER A 24 -1.702 -9.482 7.236 1.00 0.00 O ATOM 0 H SER A 24 -3.167 -7.637 8.304 1.00 0.00 H new ATOM 0 HA SER A 24 -1.985 -6.436 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.127 -8.693 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.404 -7.942 6.840 1.00 0.00 H new ATOM 0 HG SER A 24 -0.982 -10.147 7.219 1.00 0.00 H new ATOM 346 N PHE A 25 -3.620 -7.930 4.419 1.00 0.00 N ATOM 347 CA PHE A 25 -4.678 -8.532 3.647 1.00 0.00 C ATOM 348 C PHE A 25 -4.044 -9.531 2.715 1.00 0.00 C ATOM 349 O PHE A 25 -2.892 -9.377 2.306 1.00 0.00 O ATOM 350 CB PHE A 25 -5.399 -7.436 2.884 1.00 0.00 C ATOM 351 CG PHE A 25 -6.485 -7.889 1.931 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.713 -8.353 2.432 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.275 -7.825 0.540 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.720 -8.774 1.548 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.289 -8.229 -0.342 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.507 -8.719 0.160 1.00 0.00 C ATOM 0 H PHE A 25 -2.799 -7.695 3.861 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.407 -9.043 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.841 -6.750 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.660 -6.870 2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.883 -8.386 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.334 -7.465 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.659 -9.140 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.133 -8.163 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.277 -9.052 -0.519 1.00 0.00 H new ATOM 366 N VAL A 26 -4.830 -10.528 2.363 1.00 0.00 N ATOM 367 CA VAL A 26 -4.470 -11.576 1.453 1.00 0.00 C ATOM 368 C VAL A 26 -5.679 -11.780 0.549 1.00 0.00 C ATOM 369 O VAL A 26 -6.808 -11.817 1.048 1.00 0.00 O ATOM 370 CB VAL A 26 -4.038 -12.804 2.269 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.198 -13.527 2.946 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.266 -13.804 1.411 1.00 0.00 C ATOM 0 H VAL A 26 -5.779 -10.627 2.725 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.617 -11.350 0.813 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.392 -12.407 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.818 -14.383 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.703 -12.844 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.903 -13.871 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.976 -14.660 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.897 -14.142 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.373 -13.326 1.010 1.00 0.00 H new ATOM 382 N HIS A 27 -5.465 -11.892 -0.758 1.00 0.00 N ATOM 383 CA HIS A 27 -6.476 -12.423 -1.655 1.00 0.00 C ATOM 384 C HIS A 27 -5.924 -13.579 -2.478 1.00 0.00 C ATOM 385 O HIS A 27 -4.736 -13.691 -2.742 1.00 0.00 O ATOM 386 CB HIS A 27 -7.087 -11.313 -2.509 1.00 0.00 C ATOM 387 CG HIS A 27 -6.158 -10.356 -3.219 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.573 -9.206 -3.837 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.795 -10.404 -3.326 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.480 -8.559 -4.263 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.360 -9.241 -3.968 1.00 0.00 N ATOM 0 H HIS A 27 -4.596 -11.620 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.291 -12.835 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.718 -11.784 -3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.743 -10.724 -1.868 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.539 -8.898 -3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.162 -11.205 -2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.497 -7.610 -4.778 1.00 0.00 H new ATOM 399 N GLU A 28 -6.798 -14.473 -2.882 1.00 0.00 N ATOM 400 CA GLU A 28 -6.495 -15.765 -3.488 1.00 0.00 C ATOM 401 C GLU A 28 -6.190 -15.611 -4.994 1.00 0.00 C ATOM 402 O GLU A 28 -6.791 -16.266 -5.846 1.00 0.00 O ATOM 403 CB GLU A 28 -7.639 -16.744 -3.155 1.00 0.00 C ATOM 404 CG GLU A 28 -7.589 -17.284 -1.709 1.00 0.00 C ATOM 405 CD GLU A 28 -7.612 -16.228 -0.590 1.00 0.00 C ATOM 406 OE1 GLU A 28 -8.417 -15.270 -0.654 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.835 -16.376 0.383 1.00 0.00 O ATOM 0 H GLU A 28 -7.802 -14.315 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.582 -16.190 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.593 -16.242 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.601 -17.584 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.435 -17.955 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.685 -17.882 -1.597 1.00 0.00 H new ATOM 414 N GLY A 29 -5.242 -14.728 -5.316 1.00 0.00 N ATOM 415 CA GLY A 29 -4.589 -14.592 -6.617 1.00 0.00 C ATOM 416 C GLY A 29 -5.351 -13.708 -7.607 1.00 0.00 C ATOM 417 O GLY A 29 -6.471 -13.266 -7.331 1.00 0.00 O ATOM 0 H GLY A 29 -4.891 -14.052 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.591 -14.178 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.462 -15.583 -7.054 1.00 0.00 H new ATOM 421 N GLY A 30 -4.740 -13.467 -8.772 1.00 0.00 N ATOM 422 CA GLY A 30 -5.226 -12.547 -9.783 1.00 0.00 C ATOM 423 C GLY A 30 -4.683 -11.160 -9.471 1.00 0.00 C ATOM 424 O GLY A 30 -4.462 -10.823 -8.308 1.00 0.00 O ATOM 0 H GLY A 30 -3.868 -13.925 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.903 -12.867 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.316 -12.534 -9.792 1.00 0.00 H new ATOM 428 N ASP A 31 -4.455 -10.352 -10.503 1.00 0.00 N ATOM 429 CA ASP A 31 -4.254 -8.915 -10.345 1.00 0.00 C ATOM 430 C ASP A 31 -5.562 -8.196 -10.065 1.00 0.00 C ATOM 431 O ASP A 31 -6.639 -8.668 -10.431 1.00 0.00 O ATOM 432 CB ASP A 31 -3.511 -8.264 -11.501 1.00 0.00 C ATOM 433 CG ASP A 31 -4.388 -8.094 -12.738 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.444 -9.041 -13.557 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.956 -6.999 -12.923 1.00 0.00 O ATOM 0 H ASP A 31 -4.405 -10.674 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.605 -8.810 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.139 -7.289 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.641 -8.869 -11.757 1.00 0.00 H new ATOM 440 N VAL A 32 -5.461 -7.070 -9.355 1.00 0.00 N ATOM 441 CA VAL A 32 -6.602 -6.447 -8.702 1.00 0.00 C ATOM 442 C VAL A 32 -6.209 -5.012 -8.429 1.00 0.00 C ATOM 443 O VAL A 32 -5.105 -4.781 -7.951 1.00 0.00 O ATOM 444 CB VAL A 32 -6.912 -7.168 -7.374 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.970 -6.471 -6.497 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.342 -8.638 -7.496 1.00 0.00 C ATOM 0 H VAL A 32 -4.583 -6.569 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.493 -6.503 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.932 -7.121 -6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.124 -7.048 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.626 -5.469 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.909 -6.402 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.534 -9.044 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.249 -8.703 -8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.548 -9.211 -7.975 1.00 0.00 H new ATOM 456 N PRO A 33 -7.077 -4.037 -8.703 1.00 0.00 N ATOM 457 CA PRO A 33 -6.716 -2.648 -8.582 1.00 0.00 C ATOM 458 C PRO A 33 -6.614 -2.231 -7.118 1.00 0.00 C ATOM 459 O PRO A 33 -7.392 -2.650 -6.247 1.00 0.00 O ATOM 460 CB PRO A 33 -7.792 -1.904 -9.369 1.00 0.00 C ATOM 461 CG PRO A 33 -9.021 -2.784 -9.177 1.00 0.00 C ATOM 462 CD PRO A 33 -8.437 -4.194 -9.171 1.00 0.00 C ATOM 0 HA PRO A 33 -5.728 -2.421 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.951 -0.897 -8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.527 -1.804 -10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.538 -2.557 -8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.743 -2.650 -9.982 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.006 -4.853 -8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.463 -4.635 -10.167 1.00 0.00 H new ATOM 470 N LEU A 34 -5.692 -1.296 -6.883 1.00 0.00 N ATOM 471 CA LEU A 34 -5.465 -0.670 -5.590 1.00 0.00 C ATOM 472 C LEU A 34 -6.762 -0.155 -4.945 1.00 0.00 C ATOM 473 O LEU A 34 -6.908 -0.271 -3.737 1.00 0.00 O ATOM 474 CB LEU A 34 -4.235 0.252 -5.647 1.00 0.00 C ATOM 475 CG LEU A 34 -4.364 1.651 -6.254 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.966 2.219 -6.516 1.00 0.00 C ATOM 477 CD2 LEU A 34 -5.160 1.731 -7.563 1.00 0.00 C ATOM 0 H LEU A 34 -5.068 -0.947 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.171 -1.410 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.870 0.372 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.459 -0.274 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.925 2.227 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.053 3.216 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.415 2.278 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.433 1.568 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.191 2.765 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.679 1.111 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.176 1.375 -7.393 1.00 0.00 H new ATOM 489 N VAL A 35 -7.772 0.253 -5.725 1.00 0.00 N ATOM 490 CA VAL A 35 -9.065 0.755 -5.232 1.00 0.00 C ATOM 491 C VAL A 35 -9.986 -0.316 -4.681 1.00 0.00 C ATOM 492 O VAL A 35 -10.884 0.017 -3.905 1.00 0.00 O ATOM 493 CB VAL A 35 -9.751 1.630 -6.320 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.226 0.811 -7.526 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.931 2.470 -5.807 1.00 0.00 C ATOM 0 H VAL A 35 -7.712 0.243 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.846 1.380 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.959 2.314 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.697 1.473 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.373 0.314 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.947 0.063 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.350 3.049 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.697 1.810 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.583 3.147 -5.027 1.00 0.00 H new ATOM 505 N GLU A 36 -9.752 -1.578 -5.014 1.00 0.00 N ATOM 506 CA GLU A 36 -10.473 -2.662 -4.392 1.00 0.00 C ATOM 507 C GLU A 36 -9.619 -3.228 -3.280 1.00 0.00 C ATOM 508 O GLU A 36 -10.130 -3.366 -2.172 1.00 0.00 O ATOM 509 CB GLU A 36 -10.882 -3.719 -5.431 1.00 0.00 C ATOM 510 CG GLU A 36 -11.795 -3.148 -6.531 1.00 0.00 C ATOM 511 CD GLU A 36 -12.991 -2.359 -5.986 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.618 -2.766 -4.977 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.276 -1.259 -6.510 1.00 0.00 O ATOM 0 H GLU A 36 -9.067 -1.869 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.405 -2.300 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.986 -4.138 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.395 -4.538 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.207 -2.499 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.162 -3.968 -7.149 1.00 0.00 H new ATOM 520 N LEU A 37 -8.326 -3.489 -3.504 1.00 0.00 N ATOM 521 CA LEU A 37 -7.560 -4.252 -2.541 1.00 0.00 C ATOM 522 C LEU A 37 -7.232 -3.385 -1.355 1.00 0.00 C ATOM 523 O LEU A 37 -7.071 -3.959 -0.291 1.00 0.00 O ATOM 524 CB LEU A 37 -6.339 -4.954 -3.157 1.00 0.00 C ATOM 525 CG LEU A 37 -5.221 -4.113 -3.809 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.419 -3.240 -2.831 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.254 -5.102 -4.468 1.00 0.00 C ATOM 0 H LEU A 37 -7.807 -3.186 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.177 -5.077 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.879 -5.555 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.709 -5.646 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.696 -3.423 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.657 -2.686 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.090 -2.539 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.940 -3.875 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.442 -4.554 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.845 -5.770 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.787 -5.687 -5.218 1.00 0.00 H new ATOM 539 N LEU A 38 -7.216 -2.045 -1.454 1.00 0.00 N ATOM 540 CA LEU A 38 -6.910 -1.248 -0.294 1.00 0.00 C ATOM 541 C LEU A 38 -8.172 -1.044 0.545 1.00 0.00 C ATOM 542 O LEU A 38 -8.111 -0.834 1.751 1.00 0.00 O ATOM 543 CB LEU A 38 -6.136 0.042 -0.636 1.00 0.00 C ATOM 544 CG LEU A 38 -6.900 1.377 -0.543 1.00 0.00 C ATOM 545 CD1 LEU A 38 -5.891 2.526 -0.603 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.940 1.624 -1.629 1.00 0.00 C ATOM 0 H LEU A 38 -7.408 -1.519 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.206 -1.794 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.273 0.102 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.752 -0.056 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.448 1.323 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.419 3.477 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.193 2.441 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.342 2.479 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.415 2.591 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.455 1.619 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.695 0.839 -1.595 1.00 0.00 H new ATOM 558 N VAL A 39 -9.341 -1.114 -0.083 1.00 0.00 N ATOM 559 CA VAL A 39 -10.635 -0.968 0.561 1.00 0.00 C ATOM 560 C VAL A 39 -10.949 -2.285 1.275 1.00 0.00 C ATOM 561 O VAL A 39 -11.272 -2.257 2.461 1.00 0.00 O ATOM 562 CB VAL A 39 -11.618 -0.556 -0.546 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.043 -1.110 -0.425 1.00 0.00 C ATOM 564 CG2 VAL A 39 -11.674 0.956 -0.725 1.00 0.00 C ATOM 0 H VAL A 39 -9.413 -1.279 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.686 -0.201 1.333 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.194 -1.028 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.645 -0.752 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.012 -2.199 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.486 -0.772 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.381 1.203 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.996 1.421 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.685 1.328 -0.993 1.00 0.00 H new ATOM 574 N SER A 40 -10.760 -3.421 0.600 1.00 0.00 N ATOM 575 CA SER A 40 -10.808 -4.760 1.136 1.00 0.00 C ATOM 576 C SER A 40 -9.765 -4.926 2.232 1.00 0.00 C ATOM 577 O SER A 40 -10.090 -5.459 3.295 1.00 0.00 O ATOM 578 CB SER A 40 -10.548 -5.702 -0.039 1.00 0.00 C ATOM 579 OG SER A 40 -11.772 -6.096 -0.631 1.00 0.00 O ATOM 0 H SER A 40 -10.557 -3.417 -0.400 1.00 0.00 H new ATOM 0 HA SER A 40 -11.773 -4.980 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.921 -5.206 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.002 -6.581 0.304 1.00 0.00 H new ATOM 0 HG SER A 40 -11.593 -6.698 -1.383 1.00 0.00 H new ATOM 585 N ALA A 41 -8.560 -4.374 2.048 1.00 0.00 N ATOM 586 CA ALA A 41 -7.540 -4.541 3.070 1.00 0.00 C ATOM 587 C ALA A 41 -7.789 -3.586 4.234 1.00 0.00 C ATOM 588 O ALA A 41 -7.321 -3.844 5.341 1.00 0.00 O ATOM 589 CB ALA A 41 -6.157 -4.342 2.456 1.00 0.00 C ATOM 0 H ALA A 41 -8.281 -3.830 1.232 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.588 -5.554 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.396 -4.468 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.000 -5.077 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.086 -3.338 2.037 1.00 0.00 H new ATOM 595 N GLY A 42 -8.597 -2.547 4.028 1.00 0.00 N ATOM 596 CA GLY A 42 -9.171 -1.791 5.122 1.00 0.00 C ATOM 597 C GLY A 42 -8.296 -0.612 5.471 1.00 0.00 C ATOM 598 O GLY A 42 -8.218 -0.198 6.625 1.00 0.00 O ATOM 0 H GLY A 42 -8.866 -2.213 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.167 -1.443 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.288 -2.435 5.994 1.00 0.00 H new ATOM 602 N ILE A 43 -7.679 -0.047 4.442 1.00 0.00 N ATOM 603 CA ILE A 43 -6.893 1.155 4.500 1.00 0.00 C ATOM 604 C ILE A 43 -7.950 2.260 4.527 1.00 0.00 C ATOM 605 O ILE A 43 -7.937 3.054 5.469 1.00 0.00 O ATOM 606 CB ILE A 43 -5.978 1.226 3.251 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.791 0.232 3.169 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.380 2.640 3.094 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.094 -1.219 3.528 1.00 0.00 C ATOM 0 H ILE A 43 -7.722 -0.442 3.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.223 1.225 5.357 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.667 0.945 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.394 0.257 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.000 0.589 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.741 2.669 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.186 3.365 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.790 2.886 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.186 -1.815 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.456 -1.272 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.856 -1.609 2.854 1.00 0.00 H new ATOM 621 N SER A 44 -8.899 2.280 3.569 1.00 0.00 N ATOM 622 CA SER A 44 -9.939 3.306 3.573 1.00 0.00 C ATOM 623 C SER A 44 -11.128 2.743 2.804 1.00 0.00 C ATOM 624 O SER A 44 -11.114 2.821 1.584 1.00 0.00 O ATOM 625 CB SER A 44 -9.410 4.607 2.938 1.00 0.00 C ATOM 626 OG SER A 44 -9.070 5.545 3.938 1.00 0.00 O ATOM 0 H SER A 44 -8.960 1.610 2.803 1.00 0.00 H new ATOM 0 HA SER A 44 -10.243 3.558 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.536 4.389 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.167 5.030 2.277 1.00 0.00 H new ATOM 0 HG SER A 44 -8.252 6.019 3.678 1.00 0.00 H new ATOM 632 N PRO A 45 -12.143 2.152 3.455 1.00 0.00 N ATOM 633 CA PRO A 45 -13.215 1.441 2.762 1.00 0.00 C ATOM 634 C PRO A 45 -14.247 2.379 2.127 1.00 0.00 C ATOM 635 O PRO A 45 -15.021 1.973 1.260 1.00 0.00 O ATOM 636 CB PRO A 45 -13.866 0.573 3.837 1.00 0.00 C ATOM 637 CG PRO A 45 -13.671 1.385 5.114 1.00 0.00 C ATOM 638 CD PRO A 45 -12.312 2.051 4.896 1.00 0.00 C ATOM 0 HA PRO A 45 -12.816 0.862 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.922 0.400 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.390 -0.405 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.464 2.121 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.671 0.750 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.280 3.036 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.512 1.461 5.343 1.00 0.00 H new ATOM 646 N SER A 46 -14.288 3.640 2.558 1.00 0.00 N ATOM 647 CA SER A 46 -15.274 4.600 2.101 1.00 0.00 C ATOM 648 C SER A 46 -14.822 4.999 0.709 1.00 0.00 C ATOM 649 O SER A 46 -13.787 5.643 0.601 1.00 0.00 O ATOM 650 CB SER A 46 -15.330 5.757 3.087 1.00 0.00 C ATOM 651 OG SER A 46 -16.203 6.781 2.650 1.00 0.00 O ATOM 0 H SER A 46 -13.630 4.020 3.239 1.00 0.00 H new ATOM 0 HA SER A 46 -16.290 4.209 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.659 5.390 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.329 6.167 3.223 1.00 0.00 H new ATOM 0 HG SER A 46 -16.214 7.506 3.310 1.00 0.00 H new ATOM 657 N LYS A 47 -15.518 4.602 -0.360 1.00 0.00 N ATOM 658 CA LYS A 47 -14.946 4.660 -1.710 1.00 0.00 C ATOM 659 C LYS A 47 -14.467 6.053 -2.153 1.00 0.00 C ATOM 660 O LYS A 47 -13.516 6.131 -2.923 1.00 0.00 O ATOM 661 CB LYS A 47 -15.890 3.990 -2.733 1.00 0.00 C ATOM 662 CG LYS A 47 -15.174 2.949 -3.619 1.00 0.00 C ATOM 663 CD LYS A 47 -14.788 1.665 -2.858 1.00 0.00 C ATOM 664 CE LYS A 47 -13.998 0.685 -3.741 1.00 0.00 C ATOM 665 NZ LYS A 47 -14.846 -0.064 -4.687 1.00 0.00 N ATOM 0 H LYS A 47 -16.471 4.240 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.023 4.081 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.709 3.505 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.333 4.757 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.822 2.687 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.275 3.398 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.191 1.927 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.691 1.176 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.244 1.238 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.467 -0.021 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.283 -0.335 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.212 -0.920 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.642 0.534 -4.988 1.00 0.00 H new ATOM 679 N ARG A 48 -15.032 7.162 -1.655 1.00 0.00 N ATOM 680 CA ARG A 48 -14.451 8.499 -1.874 1.00 0.00 C ATOM 681 C ARG A 48 -13.105 8.621 -1.160 1.00 0.00 C ATOM 682 O ARG A 48 -12.123 9.126 -1.728 1.00 0.00 O ATOM 683 CB ARG A 48 -15.444 9.591 -1.415 1.00 0.00 C ATOM 684 CG ARG A 48 -14.857 11.023 -1.362 1.00 0.00 C ATOM 685 CD ARG A 48 -14.436 11.409 0.069 1.00 0.00 C ATOM 686 NE ARG A 48 -13.623 12.636 0.148 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.281 12.668 0.190 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.542 11.664 -0.263 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.642 13.716 0.695 1.00 0.00 N ATOM 0 H ARG A 48 -15.887 7.163 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.269 8.640 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.301 9.590 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.817 9.330 -0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.995 11.089 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.597 11.734 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.331 11.540 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.873 10.584 0.505 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.117 13.528 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.991 10.837 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.524 11.718 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.171 14.510 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.622 13.728 0.721 1.00 0.00 H new ATOM 703 N GLN A 49 -13.082 8.241 0.122 1.00 0.00 N ATOM 704 CA GLN A 49 -11.861 8.312 0.896 1.00 0.00 C ATOM 705 C GLN A 49 -10.828 7.482 0.201 1.00 0.00 C ATOM 706 O GLN A 49 -9.770 8.009 -0.077 1.00 0.00 O ATOM 707 CB GLN A 49 -11.993 7.827 2.346 1.00 0.00 C ATOM 708 CG GLN A 49 -10.876 8.423 3.233 1.00 0.00 C ATOM 709 CD GLN A 49 -10.643 9.916 2.977 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.499 10.749 3.242 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.529 10.275 2.354 1.00 0.00 N ATOM 0 H GLN A 49 -13.891 7.886 0.632 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.587 9.365 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.968 8.113 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.944 6.739 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.134 8.275 4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.948 7.880 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.819 9.576 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.382 11.250 2.093 1.00 0.00 H new ATOM 720 N ALA A 50 -11.194 6.246 -0.126 1.00 0.00 N ATOM 721 CA ALA A 50 -10.396 5.306 -0.867 1.00 0.00 C ATOM 722 C ALA A 50 -9.789 5.993 -2.080 1.00 0.00 C ATOM 723 O ALA A 50 -8.576 6.041 -2.220 1.00 0.00 O ATOM 724 CB ALA A 50 -11.243 4.116 -1.325 1.00 0.00 C ATOM 0 H ALA A 50 -12.103 5.865 0.137 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.603 4.939 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.619 3.418 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.662 3.611 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.052 4.470 -1.964 1.00 0.00 H new ATOM 730 N ARG A 51 -10.638 6.550 -2.952 1.00 0.00 N ATOM 731 CA ARG A 51 -10.173 7.130 -4.196 1.00 0.00 C ATOM 732 C ARG A 51 -9.166 8.243 -3.947 1.00 0.00 C ATOM 733 O ARG A 51 -8.213 8.335 -4.714 1.00 0.00 O ATOM 734 CB ARG A 51 -11.351 7.566 -5.087 1.00 0.00 C ATOM 735 CG ARG A 51 -10.946 7.621 -6.568 1.00 0.00 C ATOM 736 CD ARG A 51 -10.860 6.216 -7.189 1.00 0.00 C ATOM 737 NE ARG A 51 -10.157 6.220 -8.481 1.00 0.00 N ATOM 738 CZ ARG A 51 -10.220 5.280 -9.434 1.00 0.00 C ATOM 739 NH1 ARG A 51 -11.104 4.287 -9.344 1.00 0.00 N ATOM 740 NH2 ARG A 51 -9.397 5.332 -10.468 1.00 0.00 N ATOM 0 H ARG A 51 -11.647 6.606 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.641 6.359 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.181 6.870 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.706 8.546 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.670 8.219 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.982 8.120 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.345 5.547 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.866 5.819 -7.326 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.558 7.023 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.738 4.239 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.147 3.575 -10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.715 6.087 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.444 4.617 -11.194 1.00 0.00 H new ATOM 754 N GLU A 52 -9.307 9.040 -2.883 1.00 0.00 N ATOM 755 CA GLU A 52 -8.209 9.962 -2.558 1.00 0.00 C ATOM 756 C GLU A 52 -7.022 9.244 -1.965 1.00 0.00 C ATOM 757 O GLU A 52 -5.887 9.552 -2.305 1.00 0.00 O ATOM 758 CB GLU A 52 -8.658 11.050 -1.574 1.00 0.00 C ATOM 759 CG GLU A 52 -7.518 11.882 -0.929 1.00 0.00 C ATOM 760 CD GLU A 52 -7.895 12.368 0.474 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.095 12.641 0.727 1.00 0.00 O ATOM 762 OE2 GLU A 52 -7.022 12.299 1.373 1.00 0.00 O ATOM 0 H GLU A 52 -10.117 9.071 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.915 10.419 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.331 11.731 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.235 10.579 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.613 11.277 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.290 12.740 -1.562 1.00 0.00 H new ATOM 769 N ASP A 53 -7.258 8.354 -1.022 1.00 0.00 N ATOM 770 CA ASP A 53 -6.238 7.663 -0.280 1.00 0.00 C ATOM 771 C ASP A 53 -5.372 6.809 -1.181 1.00 0.00 C ATOM 772 O ASP A 53 -4.307 6.375 -0.758 1.00 0.00 O ATOM 773 CB ASP A 53 -6.911 6.815 0.800 1.00 0.00 C ATOM 774 CG ASP A 53 -6.972 7.511 2.161 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.065 8.764 2.206 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.922 6.816 3.192 1.00 0.00 O ATOM 0 H ASP A 53 -8.203 8.087 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.576 8.395 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.923 6.567 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.370 5.874 0.904 1.00 0.00 H new ATOM 781 N ILE A 54 -5.841 6.627 -2.409 1.00 0.00 N ATOM 782 CA ILE A 54 -5.133 6.155 -3.553 1.00 0.00 C ATOM 783 C ILE A 54 -4.524 7.327 -4.272 1.00 0.00 C ATOM 784 O ILE A 54 -3.318 7.360 -4.347 1.00 0.00 O ATOM 785 CB ILE A 54 -6.057 5.394 -4.508 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.635 4.156 -3.819 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.350 5.013 -5.822 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.894 3.732 -4.551 1.00 0.00 C ATOM 0 H ILE A 54 -6.816 6.829 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.355 5.469 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.876 6.063 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.905 3.346 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.861 4.376 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.045 4.475 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.011 5.917 -6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.493 4.377 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.316 2.850 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.622 4.543 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.651 3.498 -5.587 1.00 0.00 H new ATOM 800 N GLN A 55 -5.312 8.227 -4.867 1.00 0.00 N ATOM 801 CA GLN A 55 -4.817 9.189 -5.838 1.00 0.00 C ATOM 802 C GLN A 55 -3.957 10.287 -5.217 1.00 0.00 C ATOM 803 O GLN A 55 -3.427 11.143 -5.926 1.00 0.00 O ATOM 804 CB GLN A 55 -5.980 9.730 -6.672 1.00 0.00 C ATOM 805 CG GLN A 55 -6.468 8.643 -7.648 1.00 0.00 C ATOM 806 CD GLN A 55 -7.549 9.142 -8.602 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.649 8.603 -8.660 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.279 10.186 -9.368 1.00 0.00 N ATOM 0 H GLN A 55 -6.313 8.304 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.135 8.668 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.796 10.039 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.663 10.614 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.621 8.276 -8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.855 7.798 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.363 10.632 -9.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.987 10.545 -10.009 1.00 0.00 H new ATOM 817 N ASN A 56 -3.784 10.280 -3.899 1.00 0.00 N ATOM 818 CA ASN A 56 -2.746 11.043 -3.254 1.00 0.00 C ATOM 819 C ASN A 56 -1.426 10.324 -3.356 1.00 0.00 C ATOM 820 O ASN A 56 -1.284 9.221 -2.848 1.00 0.00 O ATOM 821 CB ASN A 56 -3.045 11.232 -1.750 1.00 0.00 C ATOM 822 CG ASN A 56 -3.941 12.392 -1.359 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.982 12.753 -0.185 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.648 12.997 -2.298 1.00 0.00 N ATOM 0 H ASN A 56 -4.365 9.742 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.705 12.010 -3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.500 10.314 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.095 11.349 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.248 13.786 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.594 12.675 -3.264 1.00 0.00 H new ATOM 831 N GLY A 57 -0.390 11.042 -3.782 1.00 0.00 N ATOM 832 CA GLY A 57 0.989 10.586 -3.681 1.00 0.00 C ATOM 833 C GLY A 57 1.474 10.378 -2.241 1.00 0.00 C ATOM 834 O GLY A 57 2.654 10.139 -2.024 1.00 0.00 O ATOM 0 H GLY A 57 -0.487 11.963 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.092 9.648 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.638 11.312 -4.171 1.00 0.00 H new ATOM 838 N ALA A 58 0.585 10.494 -1.253 1.00 0.00 N ATOM 839 CA ALA A 58 0.823 10.122 0.119 1.00 0.00 C ATOM 840 C ALA A 58 0.635 8.618 0.340 1.00 0.00 C ATOM 841 O ALA A 58 0.923 8.184 1.450 1.00 0.00 O ATOM 842 CB ALA A 58 -0.119 10.917 1.024 1.00 0.00 C ATOM 0 H ALA A 58 -0.353 10.865 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 58 1.859 10.356 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.056 10.640 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.067 11.983 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.152 10.695 0.758 1.00 0.00 H new ATOM 848 N ILE A 59 0.134 7.827 -0.618 1.00 0.00 N ATOM 849 CA ILE A 59 0.223 6.375 -0.591 1.00 0.00 C ATOM 850 C ILE A 59 1.489 5.959 -1.362 1.00 0.00 C ATOM 851 O ILE A 59 1.575 5.832 -2.592 1.00 0.00 O ATOM 852 CB ILE A 59 -1.158 5.809 -0.901 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.313 4.313 -0.669 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.683 6.246 -2.261 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.496 3.514 -1.661 1.00 0.00 C ATOM 0 H ILE A 59 -0.349 8.189 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 59 0.416 5.900 0.371 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.801 6.264 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.000 4.066 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.364 4.037 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.669 5.813 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.755 7.333 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.001 5.906 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.629 2.449 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.828 3.743 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.558 3.773 -1.557 1.00 0.00 H new ATOM 867 N TYR A 60 2.531 5.832 -0.551 1.00 0.00 N ATOM 868 CA TYR A 60 3.823 5.278 -0.862 1.00 0.00 C ATOM 869 C TYR A 60 3.711 3.758 -0.825 1.00 0.00 C ATOM 870 O TYR A 60 3.707 3.151 0.248 1.00 0.00 O ATOM 871 CB TYR A 60 4.848 5.836 0.131 1.00 0.00 C ATOM 872 CG TYR A 60 4.848 7.350 0.237 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.586 8.108 -0.681 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.087 8.007 1.221 1.00 0.00 C ATOM 875 CE1 TYR A 60 5.574 9.511 -0.622 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.084 9.409 1.305 1.00 0.00 C ATOM 877 CZ TYR A 60 4.833 10.169 0.381 1.00 0.00 C ATOM 878 OH TYR A 60 4.878 11.527 0.478 1.00 0.00 O ATOM 0 H TYR A 60 2.480 6.142 0.419 1.00 0.00 H new ATOM 0 HA TYR A 60 4.162 5.557 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.651 5.414 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.843 5.503 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.169 7.609 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.500 7.428 1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.133 10.086 -1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.510 9.904 2.074 1.00 0.00 H new ATOM 0 HH TYR A 60 4.310 11.821 1.221 1.00 0.00 H new ATOM 888 N VAL A 61 3.578 3.126 -1.985 1.00 0.00 N ATOM 889 CA VAL A 61 3.562 1.676 -2.079 1.00 0.00 C ATOM 890 C VAL A 61 4.999 1.226 -2.072 1.00 0.00 C ATOM 891 O VAL A 61 5.802 1.718 -2.856 1.00 0.00 O ATOM 892 CB VAL A 61 2.843 1.165 -3.334 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.698 -0.356 -3.281 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.437 1.726 -3.340 1.00 0.00 C ATOM 0 H VAL A 61 3.479 3.603 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 61 3.004 1.265 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 61 3.416 1.466 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.186 -0.704 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.686 -0.814 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.119 -0.636 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.909 1.374 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.909 1.394 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.480 2.815 -3.352 1.00 0.00 H new ATOM 904 N ASN A 62 5.346 0.294 -1.189 1.00 0.00 N ATOM 905 CA ASN A 62 6.723 -0.171 -1.032 1.00 0.00 C ATOM 906 C ASN A 62 7.698 0.938 -0.604 1.00 0.00 C ATOM 907 O ASN A 62 8.905 0.700 -0.548 1.00 0.00 O ATOM 908 CB ASN A 62 7.168 -0.947 -2.282 1.00 0.00 C ATOM 909 CG ASN A 62 6.958 -2.414 -2.024 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.817 -3.105 -1.508 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.770 -2.903 -2.327 1.00 0.00 N ATOM 0 H ASN A 62 4.682 -0.161 -0.562 1.00 0.00 H new ATOM 0 HA ASN A 62 6.747 -0.868 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.594 -0.628 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.217 -0.746 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.555 -3.880 -2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.067 -2.304 -2.759 1.00 0.00 H new ATOM 918 N GLY A 63 7.198 2.135 -0.275 1.00 0.00 N ATOM 919 CA GLY A 63 7.994 3.330 -0.023 1.00 0.00 C ATOM 920 C GLY A 63 8.089 4.256 -1.240 1.00 0.00 C ATOM 921 O GLY A 63 8.829 5.234 -1.184 1.00 0.00 O ATOM 0 H GLY A 63 6.196 2.298 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.559 3.880 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.998 3.033 0.280 1.00 0.00 H new ATOM 925 N GLU A 64 7.343 3.996 -2.314 1.00 0.00 N ATOM 926 CA GLU A 64 7.410 4.710 -3.577 1.00 0.00 C ATOM 927 C GLU A 64 6.009 5.267 -3.826 1.00 0.00 C ATOM 928 O GLU A 64 5.039 4.513 -3.870 1.00 0.00 O ATOM 929 CB GLU A 64 7.849 3.732 -4.682 1.00 0.00 C ATOM 930 CG GLU A 64 8.760 4.363 -5.742 1.00 0.00 C ATOM 931 CD GLU A 64 10.235 4.215 -5.368 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.835 3.150 -5.651 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.808 5.159 -4.775 1.00 0.00 O ATOM 0 H GLU A 64 6.648 3.249 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 64 8.134 5.525 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.369 2.891 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.962 3.330 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.579 3.891 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.515 5.419 -5.852 1.00 0.00 H new ATOM 940 N ARG A 65 5.863 6.588 -3.895 1.00 0.00 N ATOM 941 CA ARG A 65 4.617 7.294 -4.174 1.00 0.00 C ATOM 942 C ARG A 65 4.002 6.735 -5.451 1.00 0.00 C ATOM 943 O ARG A 65 4.544 6.978 -6.531 1.00 0.00 O ATOM 944 CB ARG A 65 4.964 8.792 -4.261 1.00 0.00 C ATOM 945 CG ARG A 65 3.913 9.691 -4.925 1.00 0.00 C ATOM 946 CD ARG A 65 4.348 10.131 -6.335 1.00 0.00 C ATOM 947 NE ARG A 65 3.629 11.336 -6.763 1.00 0.00 N ATOM 948 CZ ARG A 65 3.334 11.704 -8.012 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.781 11.031 -9.068 1.00 0.00 N ATOM 950 NH2 ARG A 65 2.589 12.793 -8.175 1.00 0.00 N ATOM 0 H ARG A 65 6.647 7.224 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 65 3.868 7.159 -3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.143 9.162 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.900 8.896 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.965 9.157 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.744 10.571 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.421 10.323 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.163 9.324 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 65 3.319 11.964 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.368 10.207 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.537 11.339 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.264 13.315 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.342 13.106 -9.114 1.00 0.00 H new ATOM 964 N LEU A 66 2.920 5.960 -5.348 1.00 0.00 N ATOM 965 CA LEU A 66 2.353 5.247 -6.478 1.00 0.00 C ATOM 966 C LEU A 66 0.828 5.309 -6.302 1.00 0.00 C ATOM 967 O LEU A 66 0.230 4.481 -5.620 1.00 0.00 O ATOM 968 CB LEU A 66 2.940 3.839 -6.537 1.00 0.00 C ATOM 969 CG LEU A 66 4.380 3.739 -7.067 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.896 2.361 -6.699 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.490 3.879 -8.589 1.00 0.00 C ATOM 0 H LEU A 66 2.416 5.814 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 66 2.599 5.689 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.911 3.411 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.297 3.223 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 66 4.950 4.557 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.919 2.248 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.876 2.242 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.264 1.601 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.535 3.798 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.913 3.089 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.100 4.850 -8.894 1.00 0.00 H new ATOM 983 N GLN A 67 0.209 6.352 -6.855 1.00 0.00 N ATOM 984 CA GLN A 67 -1.154 6.817 -6.577 1.00 0.00 C ATOM 985 C GLN A 67 -2.094 6.650 -7.777 1.00 0.00 C ATOM 986 O GLN A 67 -2.904 7.530 -8.062 1.00 0.00 O ATOM 987 CB GLN A 67 -1.072 8.273 -6.031 1.00 0.00 C ATOM 988 CG GLN A 67 -0.732 9.449 -6.942 1.00 0.00 C ATOM 989 CD GLN A 67 0.469 9.168 -7.822 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.584 9.069 -7.330 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.268 8.945 -9.106 1.00 0.00 N ATOM 0 H GLN A 67 0.673 6.933 -7.553 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.609 6.189 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.037 8.495 -5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.333 8.269 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.593 9.680 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.535 10.332 -6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.670 9.033 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.050 8.685 -9.707 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.999 5.549 -8.526 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.916 5.274 -9.629 1.00 0.00 C ATOM 1002 C ASP A 68 -3.094 3.772 -9.872 1.00 0.00 C ATOM 1003 O ASP A 68 -2.237 2.976 -9.501 1.00 0.00 O ATOM 1004 CB ASP A 68 -2.345 5.947 -10.880 1.00 0.00 C ATOM 1005 CG ASP A 68 -3.381 6.150 -11.990 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -4.576 5.839 -11.793 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.991 6.618 -13.083 1.00 0.00 O ATOM 0 H ASP A 68 -1.290 4.830 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.902 5.667 -9.383 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.926 6.914 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.524 5.342 -11.266 1.00 0.00 H new ATOM 1012 N VAL A 69 -4.155 3.379 -10.573 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.329 2.049 -11.168 1.00 0.00 C ATOM 1014 C VAL A 69 -3.291 1.821 -12.267 1.00 0.00 C ATOM 1015 O VAL A 69 -2.887 0.692 -12.532 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.786 1.964 -11.665 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -6.083 2.796 -12.920 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.240 0.522 -11.882 1.00 0.00 C ATOM 0 H VAL A 69 -4.947 3.997 -10.751 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.161 1.251 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.364 2.406 -10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.130 2.676 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.880 3.847 -12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.450 2.457 -13.740 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.272 0.514 -12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.601 0.048 -12.627 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.171 -0.026 -10.943 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.812 2.905 -12.880 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.647 2.877 -13.752 1.00 0.00 C ATOM 1030 C GLY A 70 -0.341 2.670 -13.005 1.00 0.00 C ATOM 1031 O GLY A 70 0.680 2.406 -13.636 1.00 0.00 O ATOM 0 H GLY A 70 -3.228 3.831 -12.782 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.769 2.079 -14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.595 3.813 -14.307 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.357 2.831 -11.686 1.00 0.00 N ATOM 1036 CA ALA A 71 0.772 2.580 -10.821 1.00 0.00 C ATOM 1037 C ALA A 71 0.751 1.136 -10.304 1.00 0.00 C ATOM 1038 O ALA A 71 1.737 0.435 -10.531 1.00 0.00 O ATOM 1039 CB ALA A 71 0.866 3.664 -9.747 1.00 0.00 C ATOM 0 H ALA A 71 -1.185 3.150 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 71 1.704 2.654 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.721 3.463 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.990 4.637 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.046 3.665 -9.151 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.295 0.664 -9.595 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.319 -0.690 -9.039 1.00 0.00 C ATOM 1047 C ILE A 72 -1.682 -1.380 -9.185 1.00 0.00 C ATOM 1048 O ILE A 72 -2.730 -0.752 -9.006 1.00 0.00 O ATOM 1049 CB ILE A 72 0.074 -0.696 -7.551 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.120 0.365 -7.173 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.638 -2.068 -7.119 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.465 1.583 -6.519 1.00 0.00 C ATOM 0 H ILE A 72 -1.134 1.209 -9.397 1.00 0.00 H new ATOM 0 HA ILE A 72 0.412 -1.249 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.857 -0.468 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.850 -0.069 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.664 0.677 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.905 -2.035 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.116 -2.838 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.524 -2.300 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.231 2.315 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.247 2.030 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.057 1.273 -5.614 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.637 -2.698 -9.415 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.721 -3.634 -9.265 1.00 0.00 C ATOM 1066 C LEU A 73 -2.264 -4.432 -8.027 1.00 0.00 C ATOM 1067 O LEU A 73 -2.426 -3.921 -6.922 1.00 0.00 O ATOM 1068 CB LEU A 73 -3.033 -4.376 -10.577 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.423 -3.385 -11.707 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.542 -4.055 -13.075 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.731 -2.634 -11.458 1.00 0.00 C ATOM 0 H LEU A 73 -0.780 -3.153 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.715 -3.224 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.163 -4.957 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.847 -5.082 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.596 -2.675 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.817 -3.310 -13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.586 -4.504 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.308 -4.829 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.930 -1.963 -12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.549 -3.349 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.648 -2.054 -10.539 1.00 0.00 H new ATOM 1083 N THR A 74 -1.566 -5.564 -8.164 1.00 0.00 N ATOM 1084 CA THR A 74 -1.215 -6.471 -7.058 1.00 0.00 C ATOM 1085 C THR A 74 0.265 -6.497 -6.643 1.00 0.00 C ATOM 1086 O THR A 74 1.075 -5.687 -7.086 1.00 0.00 O ATOM 1087 CB THR A 74 -1.705 -7.873 -7.436 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.503 -8.117 -8.816 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.166 -7.953 -7.010 1.00 0.00 C ATOM 0 H THR A 74 -1.219 -5.886 -9.068 1.00 0.00 H new ATOM 0 HA THR A 74 -1.710 -6.084 -6.167 1.00 0.00 H new ATOM 0 HB THR A 74 -1.142 -8.656 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.511 -9.083 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.564 -8.937 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.241 -7.792 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.740 -7.187 -7.532 1.00 0.00 H new ATOM 1097 N ALA A 75 0.641 -7.443 -5.771 1.00 0.00 N ATOM 1098 CA ALA A 75 2.006 -7.645 -5.313 1.00 0.00 C ATOM 1099 C ALA A 75 3.003 -7.897 -6.441 1.00 0.00 C ATOM 1100 O ALA A 75 4.086 -7.313 -6.402 1.00 0.00 O ATOM 1101 CB ALA A 75 2.051 -8.801 -4.307 1.00 0.00 C ATOM 0 H ALA A 75 -0.020 -8.102 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 75 2.312 -6.713 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.076 -8.948 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.416 -8.565 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.693 -9.713 -4.785 1.00 0.00 H new ATOM 1107 N GLU A 76 2.677 -8.743 -7.424 1.00 0.00 N ATOM 1108 CA GLU A 76 3.542 -8.940 -8.598 1.00 0.00 C ATOM 1109 C GLU A 76 3.541 -7.730 -9.523 1.00 0.00 C ATOM 1110 O GLU A 76 4.430 -7.575 -10.357 1.00 0.00 O ATOM 1111 CB GLU A 76 3.191 -10.205 -9.386 1.00 0.00 C ATOM 1112 CG GLU A 76 1.733 -10.309 -9.851 1.00 0.00 C ATOM 1113 CD GLU A 76 1.423 -11.762 -10.194 1.00 0.00 C ATOM 1114 OE1 GLU A 76 1.754 -12.221 -11.312 1.00 0.00 O ATOM 1115 OE2 GLU A 76 0.928 -12.479 -9.301 1.00 0.00 O ATOM 0 H GLU A 76 1.824 -9.302 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 76 4.549 -9.066 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.838 -10.258 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.420 -11.073 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.062 -9.956 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.569 -9.674 -10.721 1.00 0.00 H new ATOM 1122 N HIS A 77 2.563 -6.848 -9.346 1.00 0.00 N ATOM 1123 CA HIS A 77 2.489 -5.578 -10.031 1.00 0.00 C ATOM 1124 C HIS A 77 3.258 -4.512 -9.234 1.00 0.00 C ATOM 1125 O HIS A 77 3.308 -3.355 -9.642 1.00 0.00 O ATOM 1126 CB HIS A 77 1.019 -5.239 -10.216 1.00 0.00 C ATOM 1127 CG HIS A 77 0.767 -4.181 -11.249 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.134 -2.874 -11.120 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.081 -4.260 -12.311 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.420 -2.144 -11.974 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.306 -2.952 -12.767 1.00 0.00 N ATOM 0 H HIS A 77 1.785 -7.007 -8.706 1.00 0.00 H new ATOM 0 HA HIS A 77 2.958 -5.620 -11.014 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.480 -6.144 -10.497 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.609 -4.907 -9.262 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.839 -2.515 -10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.503 -5.163 -12.726 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.423 -1.065 -12.023 1.00 0.00 H new ATOM 1139 N ARG A 78 3.880 -4.851 -8.096 1.00 0.00 N ATOM 1140 CA ARG A 78 4.827 -3.952 -7.455 1.00 0.00 C ATOM 1141 C ARG A 78 6.180 -4.633 -7.530 1.00 0.00 C ATOM 1142 O ARG A 78 6.979 -4.260 -8.387 1.00 0.00 O ATOM 1143 CB ARG A 78 4.352 -3.535 -6.049 1.00 0.00 C ATOM 1144 CG ARG A 78 4.537 -2.049 -5.674 1.00 0.00 C ATOM 1145 CD ARG A 78 5.711 -1.266 -6.276 1.00 0.00 C ATOM 1146 NE ARG A 78 7.003 -1.909 -6.002 1.00 0.00 N ATOM 1147 CZ ARG A 78 8.070 -1.867 -6.810 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.109 -1.080 -7.879 1.00 0.00 N ATOM 1149 NH2 ARG A 78 9.094 -2.663 -6.540 1.00 0.00 N ATOM 0 H ARG A 78 3.740 -5.737 -7.610 1.00 0.00 H new ATOM 0 HA ARG A 78 4.908 -2.991 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.294 -3.781 -5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.883 -4.141 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.620 -1.526 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.627 -1.993 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.572 -1.177 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.717 -0.254 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 78 7.094 -2.428 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.311 -0.485 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.937 -1.070 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.056 -3.287 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.920 -2.652 -7.138 1.00 0.00 H new ATOM 1163 N LEU A 79 6.469 -5.594 -6.655 1.00 0.00 N ATOM 1164 CA LEU A 79 7.685 -6.363 -6.660 1.00 0.00 C ATOM 1165 C LEU A 79 7.498 -7.622 -7.500 1.00 0.00 C ATOM 1166 O LEU A 79 6.501 -7.778 -8.192 1.00 0.00 O ATOM 1167 CB LEU A 79 8.070 -6.632 -5.202 1.00 0.00 C ATOM 1168 CG LEU A 79 6.993 -6.845 -4.130 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.504 -7.867 -3.112 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.814 -5.540 -3.360 1.00 0.00 C ATOM 0 H LEU A 79 5.833 -5.858 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 79 8.511 -5.825 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.706 -7.517 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.687 -5.795 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 79 6.068 -7.174 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.746 -8.026 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.713 -8.810 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.417 -7.493 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.051 -5.672 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.757 -5.263 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.505 -4.752 -4.047 1.00 0.00 H new ATOM 1182 N GLU A 80 8.446 -8.542 -7.409 1.00 0.00 N ATOM 1183 CA GLU A 80 8.460 -9.901 -7.947 1.00 0.00 C ATOM 1184 C GLU A 80 7.269 -10.787 -7.531 1.00 0.00 C ATOM 1185 O GLU A 80 7.217 -11.955 -7.918 1.00 0.00 O ATOM 1186 CB GLU A 80 9.789 -10.531 -7.501 1.00 0.00 C ATOM 1187 CG GLU A 80 9.858 -10.720 -5.975 1.00 0.00 C ATOM 1188 CD GLU A 80 11.295 -10.831 -5.479 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.021 -9.805 -5.512 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.680 -11.932 -5.036 1.00 0.00 O ATOM 0 H GLU A 80 9.311 -8.339 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 80 8.364 -9.837 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.914 -11.496 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.616 -9.899 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.368 -9.880 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.307 -11.618 -5.695 1.00 0.00 H new ATOM 1197 N GLY A 81 6.323 -10.284 -6.732 1.00 0.00 N ATOM 1198 CA GLY A 81 5.150 -11.035 -6.317 1.00 0.00 C ATOM 1199 C GLY A 81 5.396 -11.793 -5.026 1.00 0.00 C ATOM 1200 O GLY A 81 5.114 -12.990 -4.941 1.00 0.00 O ATOM 0 H GLY A 81 6.357 -9.336 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.310 -10.353 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.870 -11.736 -7.103 1.00 0.00 H new ATOM 1204 N ARG A 82 5.915 -11.091 -4.014 1.00 0.00 N ATOM 1205 CA ARG A 82 6.048 -11.648 -2.666 1.00 0.00 C ATOM 1206 C ARG A 82 4.970 -11.049 -1.779 1.00 0.00 C ATOM 1207 O ARG A 82 4.073 -11.772 -1.360 1.00 0.00 O ATOM 1208 CB ARG A 82 7.484 -11.518 -2.114 1.00 0.00 C ATOM 1209 CG ARG A 82 8.477 -12.448 -2.836 1.00 0.00 C ATOM 1210 CD ARG A 82 8.369 -13.890 -2.328 1.00 0.00 C ATOM 1211 NE ARG A 82 9.070 -14.840 -3.206 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.190 -16.149 -2.974 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.896 -16.651 -1.781 1.00 0.00 N ATOM 1214 NH2 ARG A 82 9.586 -16.971 -3.935 1.00 0.00 N ATOM 0 H ARG A 82 6.251 -10.132 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 82 5.885 -12.725 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.818 -10.485 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.483 -11.749 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.285 -12.424 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.493 -12.084 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.785 -13.952 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.318 -14.171 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 82 9.496 -14.471 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.576 -16.035 -1.033 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.990 -17.652 -1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.802 -16.605 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.675 -17.970 -3.748 1.00 0.00 H new ATOM 1228 N PHE A 83 5.036 -9.743 -1.525 1.00 0.00 N ATOM 1229 CA PHE A 83 4.092 -8.982 -0.705 1.00 0.00 C ATOM 1230 C PHE A 83 3.971 -7.588 -1.331 1.00 0.00 C ATOM 1231 O PHE A 83 4.417 -7.396 -2.461 1.00 0.00 O ATOM 1232 CB PHE A 83 4.605 -8.913 0.748 1.00 0.00 C ATOM 1233 CG PHE A 83 4.449 -10.164 1.598 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.367 -11.225 1.491 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.399 -10.257 2.535 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.212 -12.374 2.285 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.300 -11.364 3.392 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.199 -12.431 3.255 1.00 0.00 C ATOM 0 H PHE A 83 5.783 -9.159 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 83 3.111 -9.456 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.663 -8.652 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.088 -8.096 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.192 -11.156 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.664 -9.468 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.874 -13.216 2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.535 -11.394 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.112 -13.296 3.895 1.00 0.00 H new ATOM 1248 N THR A 84 3.379 -6.603 -0.653 1.00 0.00 N ATOM 1249 CA THR A 84 3.493 -5.187 -0.979 1.00 0.00 C ATOM 1250 C THR A 84 3.146 -4.352 0.270 1.00 0.00 C ATOM 1251 O THR A 84 2.233 -4.704 1.015 1.00 0.00 O ATOM 1252 CB THR A 84 2.610 -4.901 -2.209 1.00 0.00 C ATOM 1253 OG1 THR A 84 3.446 -5.062 -3.332 1.00 0.00 O ATOM 1254 CG2 THR A 84 2.016 -3.499 -2.283 1.00 0.00 C ATOM 0 H THR A 84 2.790 -6.778 0.162 1.00 0.00 H new ATOM 0 HA THR A 84 4.509 -4.904 -1.252 1.00 0.00 H new ATOM 0 HB THR A 84 1.759 -5.580 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.935 -5.908 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.413 -3.406 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.389 -3.323 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.820 -2.764 -2.307 1.00 0.00 H new ATOM 1262 N VAL A 85 3.873 -3.252 0.502 1.00 0.00 N ATOM 1263 CA VAL A 85 3.630 -2.302 1.597 1.00 0.00 C ATOM 1264 C VAL A 85 2.737 -1.173 1.074 1.00 0.00 C ATOM 1265 O VAL A 85 2.878 -0.794 -0.088 1.00 0.00 O ATOM 1266 CB VAL A 85 4.966 -1.689 2.084 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.818 -0.963 3.430 1.00 0.00 C ATOM 1268 CG2 VAL A 85 6.101 -2.715 2.191 1.00 0.00 C ATOM 0 H VAL A 85 4.668 -2.990 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 85 3.152 -2.825 2.426 1.00 0.00 H new ATOM 0 HB VAL A 85 5.233 -0.966 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.782 -0.551 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.093 -0.155 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.474 -1.667 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.008 -2.219 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.821 -3.495 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.282 -3.161 1.213 1.00 0.00 H new ATOM 1278 N ILE A 86 1.922 -0.559 1.931 1.00 0.00 N ATOM 1279 CA ILE A 86 1.045 0.570 1.645 1.00 0.00 C ATOM 1280 C ILE A 86 1.235 1.609 2.737 1.00 0.00 C ATOM 1281 O ILE A 86 0.609 1.505 3.787 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.419 0.083 1.641 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.743 -0.846 0.452 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.416 1.262 1.628 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.756 -0.090 -0.881 1.00 0.00 C ATOM 0 H ILE A 86 1.854 -0.857 2.904 1.00 0.00 H new ATOM 0 HA ILE A 86 1.282 1.003 0.673 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.530 -0.485 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.006 -1.648 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.714 -1.315 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.435 0.876 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.263 1.878 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.254 1.865 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.988 -0.783 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.512 0.695 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.223 0.357 -1.056 1.00 0.00 H new ATOM 1297 N ARG A 87 2.048 2.636 2.519 1.00 0.00 N ATOM 1298 CA ARG A 87 2.223 3.695 3.509 1.00 0.00 C ATOM 1299 C ARG A 87 1.308 4.822 3.072 1.00 0.00 C ATOM 1300 O ARG A 87 1.733 5.639 2.267 1.00 0.00 O ATOM 1301 CB ARG A 87 3.725 4.038 3.633 1.00 0.00 C ATOM 1302 CG ARG A 87 4.057 5.395 4.286 1.00 0.00 C ATOM 1303 CD ARG A 87 5.568 5.609 4.446 1.00 0.00 C ATOM 1304 NE ARG A 87 6.166 4.663 5.403 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.466 4.360 5.498 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.359 4.974 4.729 1.00 0.00 N ATOM 1307 NH2 ARG A 87 7.858 3.436 6.366 1.00 0.00 N ATOM 0 H ARG A 87 2.596 2.759 1.668 1.00 0.00 H new ATOM 0 HA ARG A 87 1.938 3.420 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.211 3.251 4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.165 4.020 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.640 6.199 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.578 5.452 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.054 5.498 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.755 6.629 4.781 1.00 0.00 H new ATOM 0 HE ARG A 87 5.532 4.197 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.055 5.682 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.348 4.737 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.171 2.964 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.847 3.198 6.446 1.00 0.00 H new ATOM 1321 N ARG A 88 0.051 4.852 3.535 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.828 6.009 3.344 1.00 0.00 C ATOM 1323 C ARG A 88 -0.478 6.980 4.464 1.00 0.00 C ATOM 1324 O ARG A 88 -1.022 6.863 5.563 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.320 5.596 3.327 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.357 6.746 3.396 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.353 7.758 2.229 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.103 9.156 2.652 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.698 10.285 2.223 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.876 10.309 1.611 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.101 11.448 2.445 1.00 0.00 N ATOM 0 H ARG A 88 -0.380 4.082 4.047 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.676 6.484 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.505 5.024 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.498 4.925 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.351 6.304 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.194 7.296 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.590 7.464 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.313 7.710 1.715 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.383 9.280 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.381 9.439 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.276 11.197 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.206 11.477 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.537 12.314 2.127 1.00 0.00 H new ATOM 1345 N GLY A 89 0.416 7.933 4.203 1.00 0.00 N ATOM 1346 CA GLY A 89 0.684 9.053 5.096 1.00 0.00 C ATOM 1347 C GLY A 89 -0.638 9.757 5.393 1.00 0.00 C ATOM 1348 O GLY A 89 -1.250 10.288 4.460 1.00 0.00 O ATOM 0 H GLY A 89 0.980 7.946 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.142 8.701 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.388 9.746 4.635 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.097 9.679 6.650 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.428 9.953 7.223 1.00 0.00 C ATOM 1354 C LYS A 90 -2.741 8.844 8.227 1.00 0.00 C ATOM 1355 O LYS A 90 -3.124 9.146 9.354 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.567 10.079 6.186 1.00 0.00 C ATOM 1357 CG LYS A 90 -4.964 10.231 6.821 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.095 10.102 5.794 1.00 0.00 C ATOM 1359 CE LYS A 90 -6.092 11.249 4.782 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.123 11.042 3.752 1.00 0.00 N ATOM 0 H LYS A 90 -0.459 9.383 7.389 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.382 10.933 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.372 10.940 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.562 9.198 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.092 9.473 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.033 11.202 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.997 9.154 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.053 10.080 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.270 12.194 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.111 11.322 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.994 11.735 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.039 10.080 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.065 11.164 4.175 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.596 7.580 7.825 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.819 6.416 8.671 1.00 0.00 C ATOM 1376 C LYS A 91 -1.468 5.745 8.873 1.00 0.00 C ATOM 1377 O LYS A 91 -0.625 6.334 9.549 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.951 5.545 8.108 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.332 4.425 9.096 1.00 0.00 C ATOM 1380 CD LYS A 91 -5.828 4.395 9.432 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.250 5.401 10.510 1.00 0.00 C ATOM 1382 NZ LYS A 91 -5.733 5.038 11.847 1.00 0.00 N ATOM 0 H LYS A 91 -2.313 7.336 6.876 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.189 6.671 9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.823 6.165 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.640 5.107 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.042 3.463 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.763 4.553 10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.397 4.593 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.095 3.391 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.889 6.393 10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.338 5.457 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.177 5.643 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.955 4.042 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.702 5.174 11.869 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.220 4.561 8.312 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.005 3.807 8.564 1.00 0.00 C ATOM 1398 C LYS A 92 0.362 3.012 7.310 1.00 0.00 C ATOM 1399 O LYS A 92 0.067 3.437 6.181 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.202 2.949 9.836 1.00 0.00 C ATOM 1401 CG LYS A 92 1.097 2.689 10.629 1.00 0.00 C ATOM 1402 CD LYS A 92 1.527 3.894 11.478 1.00 0.00 C ATOM 1403 CE LYS A 92 0.669 4.039 12.741 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.104 3.114 13.807 1.00 0.00 N ATOM 0 H LYS A 92 -1.863 4.101 7.668 1.00 0.00 H new ATOM 0 HA LYS A 92 0.845 4.459 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.920 3.446 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.639 1.992 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.954 1.825 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.897 2.436 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.574 3.784 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.452 4.803 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.727 5.065 13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.375 3.846 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.459 3.193 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.090 2.138 13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.069 3.359 14.106 1.00 0.00 H new ATOM 1418 N TYR A 93 1.091 1.923 7.534 1.00 0.00 N ATOM 1419 CA TYR A 93 1.849 1.147 6.577 1.00 0.00 C ATOM 1420 C TYR A 93 1.219 -0.245 6.483 1.00 0.00 C ATOM 1421 O TYR A 93 1.699 -1.187 7.100 1.00 0.00 O ATOM 1422 CB TYR A 93 3.330 1.066 6.967 1.00 0.00 C ATOM 1423 CG TYR A 93 4.046 2.310 7.494 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.598 3.613 7.206 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.167 2.149 8.335 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.218 4.730 7.791 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.832 3.263 8.875 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.346 4.563 8.620 1.00 0.00 C ATOM 1429 OH TYR A 93 5.977 5.659 9.115 1.00 0.00 O ATOM 0 H TYR A 93 1.168 1.533 8.473 1.00 0.00 H new ATOM 0 HA TYR A 93 1.815 1.633 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.424 0.290 7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.879 0.722 6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.769 3.756 6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.519 1.155 8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.829 5.720 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.713 3.124 9.484 1.00 0.00 H new ATOM 0 HH TYR A 93 6.735 5.378 9.669 1.00 0.00 H new ATOM 1439 N TYR A 94 0.121 -0.392 5.758 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.592 -1.650 5.696 1.00 0.00 C ATOM 1441 C TYR A 94 0.140 -2.589 4.756 1.00 0.00 C ATOM 1442 O TYR A 94 1.050 -2.187 4.021 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.979 -1.367 5.146 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.899 -0.656 6.101 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.965 0.749 6.110 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.766 -1.418 6.901 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.957 1.391 6.865 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.735 -0.778 7.685 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.841 0.628 7.661 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.809 1.251 8.377 1.00 0.00 O ATOM 0 H TYR A 94 -0.296 0.354 5.201 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.657 -2.109 6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.881 -0.767 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.439 -2.311 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.256 1.330 5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.686 -2.495 6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.045 2.467 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.399 -1.360 8.306 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.332 0.584 8.869 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.283 -3.845 4.778 1.00 0.00 N ATOM 1461 CA LEU A 95 0.396 -4.924 4.104 1.00 0.00 C ATOM 1462 C LEU A 95 -0.601 -5.651 3.217 1.00 0.00 C ATOM 1463 O LEU A 95 -1.698 -5.989 3.644 1.00 0.00 O ATOM 1464 CB LEU A 95 1.048 -5.811 5.164 1.00 0.00 C ATOM 1465 CG LEU A 95 1.670 -7.114 4.643 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.577 -6.862 3.439 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.495 -7.747 5.766 1.00 0.00 C ATOM 0 H LEU A 95 -1.123 -4.140 5.276 1.00 0.00 H new ATOM 0 HA LEU A 95 1.192 -4.571 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.824 -5.235 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.298 -6.061 5.915 1.00 0.00 H new ATOM 0 HG LEU A 95 0.865 -7.778 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.999 -7.807 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.996 -6.412 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.383 -6.187 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.943 -8.674 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.282 -7.058 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.848 -7.960 6.617 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.221 -5.877 1.971 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.045 -6.491 0.945 1.00 0.00 C ATOM 1481 C ILE A 96 -0.302 -7.728 0.443 1.00 0.00 C ATOM 1482 O ILE A 96 0.893 -7.653 0.132 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.296 -5.465 -0.187 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.942 -4.142 0.297 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.113 -6.070 -1.343 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.328 -4.280 0.929 1.00 0.00 C ATOM 0 H ILE A 96 0.708 -5.627 1.633 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.019 -6.792 1.331 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.303 -5.210 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.275 -3.677 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.015 -3.462 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.265 -5.315 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.573 -6.917 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.080 -6.406 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.689 -3.297 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.017 -4.711 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.267 -4.930 1.802 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.002 -8.857 0.330 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.503 -10.053 -0.336 1.00 0.00 C ATOM 1500 C ARG A 97 -1.616 -10.806 -1.055 1.00 0.00 C ATOM 1501 O ARG A 97 -2.807 -10.468 -1.053 1.00 0.00 O ATOM 1502 CB ARG A 97 0.170 -10.993 0.684 1.00 0.00 C ATOM 1503 CG ARG A 97 1.386 -11.749 0.133 1.00 0.00 C ATOM 1504 CD ARG A 97 1.620 -13.053 0.887 1.00 0.00 C ATOM 1505 NE ARG A 97 2.662 -13.858 0.241 1.00 0.00 N ATOM 1506 CZ ARG A 97 2.847 -15.166 0.451 1.00 0.00 C ATOM 1507 NH1 ARG A 97 2.217 -15.795 1.441 1.00 0.00 N ATOM 1508 NH2 ARG A 97 3.659 -15.844 -0.346 1.00 0.00 N ATOM 0 H ARG A 97 -1.944 -8.965 0.705 1.00 0.00 H new ATOM 0 HA ARG A 97 0.227 -9.729 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.481 -10.409 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.566 -11.717 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.235 -11.961 -0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.272 -11.119 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.910 -12.835 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.692 -13.622 0.931 1.00 0.00 H new ATOM 0 HE ARG A 97 3.288 -13.388 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.583 -15.279 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.368 -16.793 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.137 -15.368 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.807 -16.842 -0.194 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.194 -11.923 -1.614 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.023 -12.973 -2.074 1.00 0.00 C ATOM 1524 C TYR A 98 -1.622 -14.308 -1.469 1.00 0.00 C ATOM 1525 O TYR A 98 -0.493 -14.478 -1.013 1.00 0.00 O ATOM 1526 CB TYR A 98 -1.981 -13.015 -3.595 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.728 -12.632 -4.350 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.536 -13.152 -3.997 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.882 -11.885 -5.533 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.624 -12.996 -4.871 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.198 -11.733 -6.408 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.425 -12.362 -6.114 1.00 0.00 C ATOM 1533 OH TYR A 98 2.373 -12.451 -7.075 1.00 0.00 O ATOM 0 H TYR A 98 -0.203 -12.114 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.047 -12.782 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.235 -14.032 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.781 -12.368 -3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.666 -13.668 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.834 -11.430 -5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.603 -13.358 -4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.093 -11.138 -7.303 1.00 0.00 H new ATOM 0 HH TYR A 98 1.972 -12.801 -7.898 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.562 -15.245 -1.489 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.381 -16.645 -1.264 1.00 0.00 C ATOM 1545 C ALA A 99 -2.264 -17.283 -2.643 1.00 0.00 C ATOM 1546 O ALA A 99 -3.246 -17.310 -3.388 1.00 0.00 O ATOM 1547 CB ALA A 99 -3.545 -17.207 -0.444 1.00 0.00 C ATOM 0 H ALA A 99 -3.537 -15.013 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.485 -16.859 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.393 -18.274 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.593 -16.696 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.479 -17.052 -0.984 1.00 0.00 H new TER 1553 ALA A 99