USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 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 46 CYS SG : rot -1:sc= 0.0448 USER MOD Set 1.2: A 48 THR OG1 : rot 96:sc= 0.211 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0814 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.247 USER MOD Single : A 14 LYS NZ :NH3+ -123:sc= 0.537 (180deg=-0.952) USER MOD Single : A 18 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-1.5) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.346 X(o=0.35,f=0.054) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.013 (180deg=-0.211) USER MOD Single : A 60 GLN : amide:sc= -0.847 X(o=-0.85,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0.372 (180deg=0.361) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= -0.783 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 75 GLN : amide:sc=-0.00772 K(o=-0.0077,f=-1.1) USER MOD Single : A 77 MET CE :methyl 177:sc= 0 (180deg=-0.00701) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.409 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= -0.0607 (180deg=-0.362) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 94 GLN : amide:sc= -0.0851 K(o=-0.085,f=-1.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0446 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.174 28.804 -23.700 1.00 0.00 N ATOM 2 CA GLY A 1 -16.996 27.676 -22.804 1.00 0.00 C ATOM 3 C GLY A 1 -15.644 27.688 -22.118 1.00 0.00 C ATOM 4 O GLY A 1 -14.880 28.644 -22.254 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.118 29.216 -23.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.449 29.522 -23.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.083 28.483 -24.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.783 27.687 -22.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.107 26.749 -23.366 1.00 0.00 H new ATOM 8 N SER A 2 -15.349 26.625 -21.377 1.00 0.00 N ATOM 9 CA SER A 2 -14.082 26.519 -20.663 1.00 0.00 C ATOM 10 C SER A 2 -13.664 25.060 -20.511 1.00 0.00 C ATOM 11 O SER A 2 -14.467 24.149 -20.711 1.00 0.00 O ATOM 12 CB SER A 2 -14.193 27.176 -19.286 1.00 0.00 C ATOM 13 OG SER A 2 -15.205 26.562 -18.508 1.00 0.00 O ATOM 0 H SER A 2 -15.970 25.825 -21.255 1.00 0.00 H new ATOM 0 HA SER A 2 -13.320 27.038 -21.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.237 27.104 -18.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.413 28.237 -19.403 1.00 0.00 H new ATOM 0 HG SER A 2 -15.255 26.999 -17.632 1.00 0.00 H new ATOM 19 N SER A 3 -12.401 24.846 -20.155 1.00 0.00 N ATOM 20 CA SER A 3 -11.874 23.498 -19.980 1.00 0.00 C ATOM 21 C SER A 3 -12.562 22.793 -18.815 1.00 0.00 C ATOM 22 O SER A 3 -12.591 23.302 -17.696 1.00 0.00 O ATOM 23 CB SER A 3 -10.363 23.546 -19.741 1.00 0.00 C ATOM 24 OG SER A 3 -9.654 23.561 -20.967 1.00 0.00 O ATOM 0 H SER A 3 -11.724 25.589 -19.982 1.00 0.00 H new ATOM 0 HA SER A 3 -12.073 22.935 -20.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.111 24.434 -19.161 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.057 22.682 -19.151 1.00 0.00 H new ATOM 0 HG SER A 3 -8.691 23.593 -20.788 1.00 0.00 H new ATOM 30 N GLY A 4 -13.117 21.616 -19.088 1.00 0.00 N ATOM 31 CA GLY A 4 -13.798 20.859 -18.055 1.00 0.00 C ATOM 32 C GLY A 4 -12.837 20.241 -17.059 1.00 0.00 C ATOM 33 O GLY A 4 -12.069 20.948 -16.406 1.00 0.00 O ATOM 0 H GLY A 4 -13.107 21.173 -20.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.492 21.513 -17.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.392 20.071 -18.518 1.00 0.00 H new ATOM 37 N SER A 5 -12.878 18.918 -16.942 1.00 0.00 N ATOM 38 CA SER A 5 -12.007 18.205 -16.014 1.00 0.00 C ATOM 39 C SER A 5 -11.816 19.002 -14.728 1.00 0.00 C ATOM 40 O SER A 5 -10.693 19.180 -14.256 1.00 0.00 O ATOM 41 CB SER A 5 -10.650 17.931 -16.665 1.00 0.00 C ATOM 42 OG SER A 5 -10.772 17.001 -17.727 1.00 0.00 O ATOM 0 H SER A 5 -13.505 18.318 -17.478 1.00 0.00 H new ATOM 0 HA SER A 5 -12.481 17.255 -15.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.229 18.863 -17.041 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.956 17.546 -15.918 1.00 0.00 H new ATOM 0 HG SER A 5 -9.891 16.844 -18.127 1.00 0.00 H new ATOM 48 N SER A 6 -12.921 19.479 -14.164 1.00 0.00 N ATOM 49 CA SER A 6 -12.876 20.261 -12.934 1.00 0.00 C ATOM 50 C SER A 6 -13.205 19.390 -11.725 1.00 0.00 C ATOM 51 O SER A 6 -14.104 18.551 -11.776 1.00 0.00 O ATOM 52 CB SER A 6 -13.855 21.433 -13.014 1.00 0.00 C ATOM 53 OG SER A 6 -13.531 22.296 -14.090 1.00 0.00 O ATOM 0 H SER A 6 -13.859 19.338 -14.539 1.00 0.00 H new ATOM 0 HA SER A 6 -11.864 20.650 -12.816 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.870 21.055 -13.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.836 21.991 -12.078 1.00 0.00 H new ATOM 0 HG SER A 6 -12.943 21.828 -14.719 1.00 0.00 H new ATOM 59 N GLY A 7 -12.469 19.596 -10.637 1.00 0.00 N ATOM 60 CA GLY A 7 -12.697 18.823 -9.430 1.00 0.00 C ATOM 61 C GLY A 7 -11.893 17.538 -9.404 1.00 0.00 C ATOM 62 O GLY A 7 -12.435 16.454 -9.623 1.00 0.00 O ATOM 0 H GLY A 7 -11.719 20.284 -10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.438 19.428 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.758 18.586 -9.349 1.00 0.00 H new ATOM 66 N LEU A 8 -10.597 17.658 -9.139 1.00 0.00 N ATOM 67 CA LEU A 8 -9.716 16.496 -9.087 1.00 0.00 C ATOM 68 C LEU A 8 -9.661 15.917 -7.677 1.00 0.00 C ATOM 69 O LEU A 8 -9.786 14.708 -7.486 1.00 0.00 O ATOM 70 CB LEU A 8 -8.309 16.878 -9.549 1.00 0.00 C ATOM 71 CG LEU A 8 -7.483 15.757 -10.180 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.684 14.454 -9.421 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.850 15.584 -11.647 1.00 0.00 C ATOM 0 H LEU A 8 -10.133 18.548 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.118 15.735 -9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.393 17.691 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.760 17.268 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.430 16.030 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.088 13.667 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.370 14.584 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.737 14.175 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.252 14.782 -12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.908 15.334 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.654 16.512 -12.183 1.00 0.00 H new ATOM 85 N ALA A 9 -9.475 16.790 -6.691 1.00 0.00 N ATOM 86 CA ALA A 9 -9.408 16.366 -5.298 1.00 0.00 C ATOM 87 C ALA A 9 -10.666 15.604 -4.895 1.00 0.00 C ATOM 88 O ALA A 9 -10.589 14.483 -4.393 1.00 0.00 O ATOM 89 CB ALA A 9 -9.203 17.569 -4.390 1.00 0.00 C ATOM 0 H ALA A 9 -9.368 17.795 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.557 15.693 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.155 17.238 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.272 18.070 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.035 18.262 -4.511 1.00 0.00 H new ATOM 95 N GLU A 10 -11.823 16.221 -5.117 1.00 0.00 N ATOM 96 CA GLU A 10 -13.097 15.600 -4.774 1.00 0.00 C ATOM 97 C GLU A 10 -13.048 14.092 -5.008 1.00 0.00 C ATOM 98 O GLU A 10 -13.588 13.313 -4.222 1.00 0.00 O ATOM 99 CB GLU A 10 -14.228 16.218 -5.598 1.00 0.00 C ATOM 100 CG GLU A 10 -13.893 16.374 -7.072 1.00 0.00 C ATOM 101 CD GLU A 10 -15.130 16.467 -7.945 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.650 15.407 -8.352 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.577 17.600 -8.221 1.00 0.00 O ATOM 0 H GLU A 10 -11.904 17.149 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.287 15.780 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.118 15.597 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.475 17.196 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.287 17.270 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.288 15.527 -7.395 1.00 0.00 H new ATOM 110 N LEU A 11 -12.397 13.689 -6.094 1.00 0.00 N ATOM 111 CA LEU A 11 -12.277 12.275 -6.432 1.00 0.00 C ATOM 112 C LEU A 11 -11.277 11.579 -5.516 1.00 0.00 C ATOM 113 O LEU A 11 -11.549 10.500 -4.988 1.00 0.00 O ATOM 114 CB LEU A 11 -11.847 12.115 -7.891 1.00 0.00 C ATOM 115 CG LEU A 11 -12.962 12.201 -8.934 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.056 11.190 -8.629 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.535 13.610 -8.987 1.00 0.00 C ATOM 0 H LEU A 11 -11.945 14.321 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.253 11.809 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.106 12.882 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.350 11.151 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.539 11.965 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.841 11.265 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.636 10.184 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.476 11.395 -7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.327 13.653 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.942 13.874 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.746 14.314 -9.253 1.00 0.00 H new ATOM 129 N PHE A 12 -10.119 12.204 -5.328 1.00 0.00 N ATOM 130 CA PHE A 12 -9.078 11.645 -4.474 1.00 0.00 C ATOM 131 C PHE A 12 -9.668 11.128 -3.164 1.00 0.00 C ATOM 132 O PHE A 12 -9.240 10.100 -2.642 1.00 0.00 O ATOM 133 CB PHE A 12 -8.007 12.698 -4.183 1.00 0.00 C ATOM 134 CG PHE A 12 -6.932 12.218 -3.250 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.002 11.279 -3.668 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.851 12.706 -1.956 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.011 10.836 -2.812 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.863 12.266 -1.096 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.942 11.330 -1.524 1.00 0.00 C ATOM 0 H PHE A 12 -9.878 13.098 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.621 10.808 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.550 13.009 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.483 13.580 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.052 10.889 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.568 13.438 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.292 10.105 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.811 12.654 -0.089 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.169 10.985 -0.853 1.00 0.00 H new ATOM 149 N GLU A 13 -10.652 11.852 -2.640 1.00 0.00 N ATOM 150 CA GLU A 13 -11.300 11.468 -1.391 1.00 0.00 C ATOM 151 C GLU A 13 -12.121 10.195 -1.573 1.00 0.00 C ATOM 152 O GLU A 13 -11.923 9.207 -0.865 1.00 0.00 O ATOM 153 CB GLU A 13 -12.198 12.600 -0.887 1.00 0.00 C ATOM 154 CG GLU A 13 -11.432 13.841 -0.463 1.00 0.00 C ATOM 155 CD GLU A 13 -11.029 13.807 0.998 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.876 13.437 1.838 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.867 14.151 1.302 1.00 0.00 O ATOM 0 H GLU A 13 -11.018 12.707 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.522 11.275 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.904 12.870 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.784 12.239 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.539 13.941 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.046 14.723 -0.646 1.00 0.00 H new ATOM 164 N LYS A 14 -13.045 10.225 -2.528 1.00 0.00 N ATOM 165 CA LYS A 14 -13.898 9.076 -2.805 1.00 0.00 C ATOM 166 C LYS A 14 -13.060 7.842 -3.126 1.00 0.00 C ATOM 167 O LYS A 14 -13.202 6.800 -2.486 1.00 0.00 O ATOM 168 CB LYS A 14 -14.839 9.383 -3.972 1.00 0.00 C ATOM 169 CG LYS A 14 -15.998 10.290 -3.596 1.00 0.00 C ATOM 170 CD LYS A 14 -16.758 10.761 -4.824 1.00 0.00 C ATOM 171 CE LYS A 14 -16.181 12.057 -5.373 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.453 13.211 -4.473 1.00 0.00 N ATOM 0 H LYS A 14 -13.222 11.034 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.490 8.871 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.268 9.850 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.234 8.446 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.676 9.758 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.622 11.153 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.721 9.990 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.808 10.908 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.105 11.947 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.606 12.256 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.963 13.949 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.032 12.895 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.553 13.596 -4.121 1.00 0.00 H new ATOM 186 N ALA A 15 -12.186 7.968 -4.119 1.00 0.00 N ATOM 187 CA ALA A 15 -11.323 6.864 -4.521 1.00 0.00 C ATOM 188 C ALA A 15 -10.734 6.156 -3.305 1.00 0.00 C ATOM 189 O ALA A 15 -10.813 4.934 -3.188 1.00 0.00 O ATOM 190 CB ALA A 15 -10.211 7.367 -5.431 1.00 0.00 C ATOM 0 H ALA A 15 -12.057 8.823 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.929 6.143 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.574 6.532 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.647 7.820 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.615 8.109 -4.901 1.00 0.00 H new ATOM 196 N ALA A 16 -10.143 6.933 -2.403 1.00 0.00 N ATOM 197 CA ALA A 16 -9.542 6.380 -1.195 1.00 0.00 C ATOM 198 C ALA A 16 -10.495 5.414 -0.500 1.00 0.00 C ATOM 199 O ALA A 16 -10.093 4.336 -0.064 1.00 0.00 O ATOM 200 CB ALA A 16 -9.138 7.499 -0.247 1.00 0.00 C ATOM 0 H ALA A 16 -10.068 7.947 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.650 5.824 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.691 7.072 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.414 8.149 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.019 8.079 0.028 1.00 0.00 H new ATOM 206 N ALA A 17 -11.761 5.808 -0.400 1.00 0.00 N ATOM 207 CA ALA A 17 -12.771 4.976 0.241 1.00 0.00 C ATOM 208 C ALA A 17 -12.963 3.665 -0.515 1.00 0.00 C ATOM 209 O ALA A 17 -13.242 2.626 0.085 1.00 0.00 O ATOM 210 CB ALA A 17 -14.090 5.729 0.339 1.00 0.00 C ATOM 0 H ALA A 17 -12.111 6.698 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.425 4.738 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.836 5.096 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.949 6.635 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.432 5.996 -0.661 1.00 0.00 H new ATOM 216 N HIS A 18 -12.814 3.721 -1.835 1.00 0.00 N ATOM 217 CA HIS A 18 -12.971 2.537 -2.672 1.00 0.00 C ATOM 218 C HIS A 18 -11.806 1.572 -2.473 1.00 0.00 C ATOM 219 O HIS A 18 -11.981 0.354 -2.513 1.00 0.00 O ATOM 220 CB HIS A 18 -13.071 2.938 -4.144 1.00 0.00 C ATOM 221 CG HIS A 18 -13.886 1.990 -4.969 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.919 1.239 -4.451 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.816 1.675 -6.284 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.449 0.501 -5.410 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.798 0.748 -6.533 1.00 0.00 N ATOM 0 H HIS A 18 -12.585 4.573 -2.347 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.891 2.033 -2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.508 3.934 -4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.067 3.001 -4.564 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.118 2.078 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.274 -0.187 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.993 0.320 -7.438 1.00 0.00 H new ATOM 234 N LEU A 19 -10.617 2.124 -2.260 1.00 0.00 N ATOM 235 CA LEU A 19 -9.422 1.313 -2.056 1.00 0.00 C ATOM 236 C LEU A 19 -9.723 0.116 -1.160 1.00 0.00 C ATOM 237 O LEU A 19 -9.439 -1.027 -1.519 1.00 0.00 O ATOM 238 CB LEU A 19 -8.307 2.158 -1.438 1.00 0.00 C ATOM 239 CG LEU A 19 -6.878 1.754 -1.802 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.886 2.795 -1.307 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.548 0.384 -1.228 1.00 0.00 C ATOM 0 H LEU A 19 -10.455 3.130 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.094 0.944 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.457 3.196 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.409 2.120 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.802 1.698 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.874 2.490 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.109 3.758 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.963 2.884 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.527 0.113 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.642 0.412 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.238 -0.356 -1.633 1.00 0.00 H new ATOM 253 N GLN A 20 -10.302 0.386 0.005 1.00 0.00 N ATOM 254 CA GLN A 20 -10.644 -0.670 0.951 1.00 0.00 C ATOM 255 C GLN A 20 -11.433 -1.780 0.266 1.00 0.00 C ATOM 256 O GLN A 20 -11.298 -2.954 0.608 1.00 0.00 O ATOM 257 CB GLN A 20 -11.452 -0.098 2.117 1.00 0.00 C ATOM 258 CG GLN A 20 -10.716 0.979 2.897 1.00 0.00 C ATOM 259 CD GLN A 20 -9.854 0.409 4.007 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.283 0.318 5.157 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.630 0.023 3.666 1.00 0.00 N ATOM 0 H GLN A 20 -10.544 1.326 0.317 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.716 -1.093 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.384 0.316 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.718 -0.908 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.090 1.553 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.441 1.672 3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.316 0.117 2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.004 -0.367 4.370 1.00 0.00 H new ATOM 270 N GLY A 21 -12.260 -1.400 -0.704 1.00 0.00 N ATOM 271 CA GLY A 21 -13.059 -2.376 -1.422 1.00 0.00 C ATOM 272 C GLY A 21 -12.296 -3.030 -2.556 1.00 0.00 C ATOM 273 O GLY A 21 -12.721 -4.055 -3.091 1.00 0.00 O ATOM 0 H GLY A 21 -12.391 -0.434 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.399 -3.144 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.949 -1.889 -1.821 1.00 0.00 H new ATOM 277 N LEU A 22 -11.167 -2.436 -2.927 1.00 0.00 N ATOM 278 CA LEU A 22 -10.342 -2.967 -4.007 1.00 0.00 C ATOM 279 C LEU A 22 -9.079 -3.622 -3.457 1.00 0.00 C ATOM 280 O LEU A 22 -8.140 -3.904 -4.201 1.00 0.00 O ATOM 281 CB LEU A 22 -9.967 -1.851 -4.984 1.00 0.00 C ATOM 282 CG LEU A 22 -11.121 -0.981 -5.484 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.621 0.037 -6.497 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.217 -1.846 -6.090 1.00 0.00 C ATOM 0 H LEU A 22 -10.802 -1.587 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.921 -3.725 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.234 -1.205 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.477 -2.301 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.540 -0.442 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.456 0.647 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.872 0.677 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.176 -0.483 -7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.030 -1.210 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.812 -2.412 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.595 -2.536 -5.335 1.00 0.00 H new ATOM 296 N ILE A 23 -9.065 -3.863 -2.150 1.00 0.00 N ATOM 297 CA ILE A 23 -7.920 -4.488 -1.501 1.00 0.00 C ATOM 298 C ILE A 23 -7.714 -5.913 -2.003 1.00 0.00 C ATOM 299 O ILE A 23 -6.588 -6.409 -2.048 1.00 0.00 O ATOM 300 CB ILE A 23 -8.084 -4.513 0.030 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.342 -3.102 0.560 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.850 -5.114 0.685 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.152 -2.178 0.424 1.00 0.00 C ATOM 0 H ILE A 23 -9.834 -3.635 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.047 -3.886 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.943 -5.136 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.189 -2.671 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.626 -3.164 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.981 -5.125 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.708 -6.134 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.975 -4.515 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.407 -1.195 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.309 -2.586 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.881 -2.086 -0.628 1.00 0.00 H new ATOM 315 N GLN A 24 -8.809 -6.566 -2.380 1.00 0.00 N ATOM 316 CA GLN A 24 -8.748 -7.934 -2.880 1.00 0.00 C ATOM 317 C GLN A 24 -8.249 -7.966 -4.321 1.00 0.00 C ATOM 318 O GLN A 24 -7.766 -8.992 -4.799 1.00 0.00 O ATOM 319 CB GLN A 24 -10.125 -8.594 -2.790 1.00 0.00 C ATOM 320 CG GLN A 24 -10.801 -8.410 -1.441 1.00 0.00 C ATOM 321 CD GLN A 24 -12.242 -8.881 -1.441 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.583 -9.872 -0.795 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.096 -8.171 -2.168 1.00 0.00 N ATOM 0 H GLN A 24 -9.748 -6.170 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.045 -8.490 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.768 -8.182 -3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.022 -9.660 -2.993 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.244 -8.959 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.767 -7.357 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.769 -7.356 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.079 -8.440 -2.207 1.00 0.00 H new ATOM 332 N VAL A 25 -8.370 -6.835 -5.009 1.00 0.00 N ATOM 333 CA VAL A 25 -7.931 -6.732 -6.395 1.00 0.00 C ATOM 334 C VAL A 25 -6.589 -6.016 -6.495 1.00 0.00 C ATOM 335 O VAL A 25 -5.908 -6.091 -7.517 1.00 0.00 O ATOM 336 CB VAL A 25 -8.965 -5.985 -7.258 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.311 -6.692 -7.211 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.096 -4.540 -6.799 1.00 0.00 C ATOM 0 H VAL A 25 -8.769 -5.977 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.825 -7.750 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.618 -5.985 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.029 -6.150 -7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.202 -7.708 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.668 -6.726 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.831 -4.026 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.420 -4.517 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.131 -4.040 -6.890 1.00 0.00 H new ATOM 348 N ALA A 26 -6.214 -5.321 -5.426 1.00 0.00 N ATOM 349 CA ALA A 26 -4.952 -4.592 -5.392 1.00 0.00 C ATOM 350 C ALA A 26 -3.838 -5.452 -4.805 1.00 0.00 C ATOM 351 O ALA A 26 -4.005 -6.065 -3.751 1.00 0.00 O ATOM 352 CB ALA A 26 -5.106 -3.306 -4.594 1.00 0.00 C ATOM 0 H ALA A 26 -6.766 -5.247 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.679 -4.339 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.156 -2.772 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.867 -2.678 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.406 -3.545 -3.574 1.00 0.00 H new ATOM 358 N SER A 27 -2.702 -5.491 -5.493 1.00 0.00 N ATOM 359 CA SER A 27 -1.561 -6.280 -5.042 1.00 0.00 C ATOM 360 C SER A 27 -0.733 -5.502 -4.024 1.00 0.00 C ATOM 361 O SER A 27 -0.698 -4.272 -4.045 1.00 0.00 O ATOM 362 CB SER A 27 -0.686 -6.678 -6.232 1.00 0.00 C ATOM 363 OG SER A 27 -1.478 -6.996 -7.363 1.00 0.00 O ATOM 0 H SER A 27 -2.547 -4.985 -6.365 1.00 0.00 H new ATOM 0 HA SER A 27 -1.941 -7.182 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.007 -5.861 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.069 -7.536 -5.963 1.00 0.00 H new ATOM 0 HG SER A 27 -0.896 -7.245 -8.111 1.00 0.00 H new ATOM 369 N ARG A 28 -0.066 -6.230 -3.134 1.00 0.00 N ATOM 370 CA ARG A 28 0.762 -5.610 -2.106 1.00 0.00 C ATOM 371 C ARG A 28 1.461 -4.366 -2.649 1.00 0.00 C ATOM 372 O ARG A 28 1.482 -3.322 -1.999 1.00 0.00 O ATOM 373 CB ARG A 28 1.800 -6.606 -1.588 1.00 0.00 C ATOM 374 CG ARG A 28 2.785 -7.067 -2.649 1.00 0.00 C ATOM 375 CD ARG A 28 3.596 -8.263 -2.175 1.00 0.00 C ATOM 376 NE ARG A 28 2.748 -9.407 -1.852 1.00 0.00 N ATOM 377 CZ ARG A 28 2.209 -9.607 -0.654 1.00 0.00 C ATOM 378 NH1 ARG A 28 2.430 -8.744 0.329 1.00 0.00 N ATOM 379 NH2 ARG A 28 1.448 -10.671 -0.437 1.00 0.00 N ATOM 0 H ARG A 28 -0.083 -7.249 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 28 0.113 -5.311 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.352 -6.149 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.285 -7.476 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.245 -7.330 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.458 -6.248 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.309 -8.547 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.176 -7.982 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 28 2.559 -10.090 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.015 -7.924 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.015 -8.900 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.276 -11.337 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.035 -10.823 0.483 1.00 0.00 H new ATOM 393 N GLU A 29 2.032 -4.488 -3.843 1.00 0.00 N ATOM 394 CA GLU A 29 2.733 -3.375 -4.471 1.00 0.00 C ATOM 395 C GLU A 29 1.772 -2.229 -4.776 1.00 0.00 C ATOM 396 O GLU A 29 2.092 -1.062 -4.556 1.00 0.00 O ATOM 397 CB GLU A 29 3.419 -3.836 -5.758 1.00 0.00 C ATOM 398 CG GLU A 29 4.834 -4.347 -5.544 1.00 0.00 C ATOM 399 CD GLU A 29 5.873 -3.247 -5.643 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.887 -2.535 -6.669 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.672 -3.098 -4.695 1.00 0.00 O ATOM 0 H GLU A 29 2.023 -5.346 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 29 3.490 -3.016 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.822 -4.625 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.444 -3.006 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.902 -4.818 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.054 -5.117 -6.284 1.00 0.00 H new ATOM 408 N GLN A 30 0.593 -2.574 -5.285 1.00 0.00 N ATOM 409 CA GLN A 30 -0.414 -1.575 -5.622 1.00 0.00 C ATOM 410 C GLN A 30 -0.834 -0.787 -4.386 1.00 0.00 C ATOM 411 O GLN A 30 -1.100 0.414 -4.463 1.00 0.00 O ATOM 412 CB GLN A 30 -1.636 -2.245 -6.253 1.00 0.00 C ATOM 413 CG GLN A 30 -1.321 -3.005 -7.532 1.00 0.00 C ATOM 414 CD GLN A 30 -2.491 -3.037 -8.495 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.206 -4.035 -8.588 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.692 -1.942 -9.219 1.00 0.00 N ATOM 0 H GLN A 30 0.312 -3.537 -5.473 1.00 0.00 H new ATOM 0 HA GLN A 30 0.024 -0.882 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.076 -2.933 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.387 -1.484 -6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.464 -2.543 -8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.033 -4.026 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.074 -1.138 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.464 -1.905 -9.885 1.00 0.00 H new ATOM 425 N LEU A 31 -0.892 -1.468 -3.247 1.00 0.00 N ATOM 426 CA LEU A 31 -1.280 -0.832 -1.993 1.00 0.00 C ATOM 427 C LEU A 31 -0.335 0.316 -1.650 1.00 0.00 C ATOM 428 O LEU A 31 -0.774 1.411 -1.297 1.00 0.00 O ATOM 429 CB LEU A 31 -1.287 -1.858 -0.859 1.00 0.00 C ATOM 430 CG LEU A 31 -2.600 -2.613 -0.646 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.711 -1.652 -0.251 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.981 -3.385 -1.901 1.00 0.00 C ATOM 0 H LEU A 31 -0.675 -2.461 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.285 -0.427 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.499 -2.586 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.030 -1.346 0.069 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.459 -3.326 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.637 -2.207 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.441 -1.145 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.852 -0.914 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.918 -3.916 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.103 -2.691 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.195 -4.102 -2.140 1.00 0.00 H new ATOM 444 N LEU A 32 0.964 0.058 -1.758 1.00 0.00 N ATOM 445 CA LEU A 32 1.972 1.070 -1.461 1.00 0.00 C ATOM 446 C LEU A 32 1.867 2.243 -2.430 1.00 0.00 C ATOM 447 O LEU A 32 1.812 3.402 -2.016 1.00 0.00 O ATOM 448 CB LEU A 32 3.372 0.459 -1.531 1.00 0.00 C ATOM 449 CG LEU A 32 4.440 1.128 -0.665 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.459 0.516 0.727 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.809 1.010 -1.320 1.00 0.00 C ATOM 0 H LEU A 32 1.344 -0.843 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 32 1.794 1.440 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.304 -0.590 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.706 0.484 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 32 4.194 2.186 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.225 1.005 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.486 0.653 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.680 -0.549 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.557 1.492 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.063 -0.043 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.789 1.496 -2.295 1.00 0.00 H new ATOM 463 N TYR A 33 1.837 1.936 -3.722 1.00 0.00 N ATOM 464 CA TYR A 33 1.739 2.965 -4.751 1.00 0.00 C ATOM 465 C TYR A 33 0.739 4.044 -4.348 1.00 0.00 C ATOM 466 O TYR A 33 1.012 5.238 -4.473 1.00 0.00 O ATOM 467 CB TYR A 33 1.326 2.343 -6.086 1.00 0.00 C ATOM 468 CG TYR A 33 1.480 3.279 -7.263 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.720 3.808 -7.597 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.385 3.635 -8.041 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.866 4.664 -8.672 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.521 4.489 -9.118 1.00 0.00 C ATOM 473 CZ TYR A 33 1.763 5.001 -9.429 1.00 0.00 C ATOM 474 OH TYR A 33 1.903 5.854 -10.500 1.00 0.00 O ATOM 0 H TYR A 33 1.879 0.983 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 33 2.720 3.427 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.925 1.450 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.286 2.022 -6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.585 3.546 -7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.589 3.237 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.837 5.067 -8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.340 4.754 -9.713 1.00 0.00 H new ATOM 0 HH TYR A 33 1.031 5.988 -10.928 1.00 0.00 H new ATOM 484 N LEU A 34 -0.421 3.615 -3.863 1.00 0.00 N ATOM 485 CA LEU A 34 -1.464 4.543 -3.441 1.00 0.00 C ATOM 486 C LEU A 34 -1.064 5.263 -2.157 1.00 0.00 C ATOM 487 O LEU A 34 -1.504 6.384 -1.899 1.00 0.00 O ATOM 488 CB LEU A 34 -2.783 3.798 -3.231 1.00 0.00 C ATOM 489 CG LEU A 34 -3.219 2.872 -4.367 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.437 2.059 -3.956 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.512 3.674 -5.626 1.00 0.00 C ATOM 0 H LEU A 34 -0.663 2.630 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.595 5.286 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.702 3.207 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.570 4.534 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.403 2.182 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.733 1.406 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.193 1.455 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.259 2.732 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.821 2.999 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.311 4.388 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.614 4.211 -5.932 1.00 0.00 H new ATOM 503 N TYR A 35 -0.226 4.614 -1.357 1.00 0.00 N ATOM 504 CA TYR A 35 0.233 5.192 -0.100 1.00 0.00 C ATOM 505 C TYR A 35 1.231 6.319 -0.351 1.00 0.00 C ATOM 506 O TYR A 35 1.058 7.436 0.135 1.00 0.00 O ATOM 507 CB TYR A 35 0.873 4.115 0.778 1.00 0.00 C ATOM 508 CG TYR A 35 1.710 4.673 1.907 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.009 5.110 1.685 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.201 4.761 3.197 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.778 5.619 2.714 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.961 5.270 4.232 1.00 0.00 C ATOM 513 CZ TYR A 35 3.249 5.698 3.985 1.00 0.00 C ATOM 514 OH TYR A 35 4.011 6.204 5.013 1.00 0.00 O ATOM 0 H TYR A 35 0.149 3.687 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.632 5.606 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.088 3.485 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.498 3.475 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.426 5.051 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.193 4.426 3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.787 5.953 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.549 5.333 5.229 1.00 0.00 H new ATOM 0 HH TYR A 35 3.490 6.192 5.843 1.00 0.00 H new ATOM 524 N ALA A 36 2.276 6.015 -1.114 1.00 0.00 N ATOM 525 CA ALA A 36 3.301 7.001 -1.433 1.00 0.00 C ATOM 526 C ALA A 36 2.676 8.344 -1.797 1.00 0.00 C ATOM 527 O ALA A 36 2.800 9.318 -1.054 1.00 0.00 O ATOM 528 CB ALA A 36 4.180 6.500 -2.570 1.00 0.00 C ATOM 0 H ALA A 36 2.435 5.094 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 36 3.919 7.146 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.941 7.246 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.662 5.569 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.567 6.326 -3.454 1.00 0.00 H new ATOM 534 N ARG A 37 2.007 8.389 -2.944 1.00 0.00 N ATOM 535 CA ARG A 37 1.365 9.613 -3.407 1.00 0.00 C ATOM 536 C ARG A 37 0.478 10.208 -2.317 1.00 0.00 C ATOM 537 O ARG A 37 0.580 11.392 -1.997 1.00 0.00 O ATOM 538 CB ARG A 37 0.534 9.336 -4.661 1.00 0.00 C ATOM 539 CG ARG A 37 1.371 9.030 -5.892 1.00 0.00 C ATOM 540 CD ARG A 37 0.551 8.330 -6.964 1.00 0.00 C ATOM 541 NE ARG A 37 0.048 7.036 -6.510 1.00 0.00 N ATOM 542 CZ ARG A 37 -0.821 6.303 -7.198 1.00 0.00 C ATOM 543 NH1 ARG A 37 -1.280 6.734 -8.364 1.00 0.00 N ATOM 544 NH2 ARG A 37 -1.232 5.136 -6.718 1.00 0.00 N ATOM 0 H ARG A 37 1.895 7.592 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 37 2.146 10.334 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.132 8.495 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.097 10.201 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.781 9.956 -6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.217 8.402 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.288 8.964 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.163 8.189 -7.855 1.00 0.00 H new ATOM 0 HE ARG A 37 0.382 6.675 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.966 7.631 -8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.947 6.169 -8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.881 4.801 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.899 4.574 -7.246 1.00 0.00 H new ATOM 558 N TYR A 38 -0.391 9.378 -1.751 1.00 0.00 N ATOM 559 CA TYR A 38 -1.297 9.822 -0.698 1.00 0.00 C ATOM 560 C TYR A 38 -0.548 10.617 0.367 1.00 0.00 C ATOM 561 O TYR A 38 -1.104 11.523 0.988 1.00 0.00 O ATOM 562 CB TYR A 38 -1.995 8.621 -0.058 1.00 0.00 C ATOM 563 CG TYR A 38 -2.940 8.997 1.062 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.456 9.423 2.292 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.317 8.924 0.889 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.315 9.766 3.318 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.184 9.267 1.909 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.678 9.687 3.121 1.00 0.00 C ATOM 569 OH TYR A 38 -5.538 10.028 4.140 1.00 0.00 O ATOM 0 H TYR A 38 -0.487 8.394 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.047 10.472 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.551 8.082 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.240 7.936 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.389 9.487 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.716 8.594 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.922 10.094 4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.252 9.206 1.758 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.464 9.918 3.838 1.00 0.00 H new ATOM 579 N LYS A 39 0.718 10.271 0.572 1.00 0.00 N ATOM 580 CA LYS A 39 1.547 10.952 1.560 1.00 0.00 C ATOM 581 C LYS A 39 2.122 12.245 0.989 1.00 0.00 C ATOM 582 O LYS A 39 2.358 13.205 1.722 1.00 0.00 O ATOM 583 CB LYS A 39 2.683 10.036 2.021 1.00 0.00 C ATOM 584 CG LYS A 39 2.219 8.888 2.900 1.00 0.00 C ATOM 585 CD LYS A 39 1.953 9.347 4.324 1.00 0.00 C ATOM 586 CE LYS A 39 3.245 9.698 5.046 1.00 0.00 C ATOM 587 NZ LYS A 39 3.025 9.916 6.502 1.00 0.00 N ATOM 0 H LYS A 39 1.193 9.523 0.067 1.00 0.00 H new ATOM 0 HA LYS A 39 0.919 11.201 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.190 9.630 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.417 10.628 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.312 8.452 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.976 8.104 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.295 10.216 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.432 8.560 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.970 8.896 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.675 10.597 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.929 10.153 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.353 10.698 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.639 9.050 6.928 1.00 0.00 H new ATOM 601 N GLN A 40 2.344 12.261 -0.321 1.00 0.00 N ATOM 602 CA GLN A 40 2.890 13.437 -0.988 1.00 0.00 C ATOM 603 C GLN A 40 1.826 14.518 -1.145 1.00 0.00 C ATOM 604 O GLN A 40 2.138 15.707 -1.201 1.00 0.00 O ATOM 605 CB GLN A 40 3.453 13.056 -2.359 1.00 0.00 C ATOM 606 CG GLN A 40 3.459 14.205 -3.354 1.00 0.00 C ATOM 607 CD GLN A 40 4.405 15.319 -2.953 1.00 0.00 C ATOM 608 OE1 GLN A 40 3.986 16.458 -2.742 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.688 14.997 -2.844 1.00 0.00 N ATOM 0 H GLN A 40 2.154 11.474 -0.941 1.00 0.00 H new ATOM 0 HA GLN A 40 3.695 13.833 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.472 12.688 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.865 12.235 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.743 13.828 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.450 14.606 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.991 14.041 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.371 15.706 -2.576 1.00 0.00 H new ATOM 618 N VAL A 41 0.567 14.096 -1.215 1.00 0.00 N ATOM 619 CA VAL A 41 -0.544 15.029 -1.365 1.00 0.00 C ATOM 620 C VAL A 41 -1.032 15.523 -0.008 1.00 0.00 C ATOM 621 O VAL A 41 -1.588 16.616 0.104 1.00 0.00 O ATOM 622 CB VAL A 41 -1.722 14.382 -2.118 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.223 13.624 -3.339 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.505 13.463 -1.192 1.00 0.00 C ATOM 0 H VAL A 41 0.291 13.115 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.173 15.874 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.391 15.172 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.069 13.174 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.710 14.313 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.532 12.842 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.334 13.014 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.848 12.677 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.895 14.039 -0.352 1.00 0.00 H new ATOM 634 N LYS A 42 -0.821 14.712 1.023 1.00 0.00 N ATOM 635 CA LYS A 42 -1.238 15.066 2.374 1.00 0.00 C ATOM 636 C LYS A 42 -0.103 15.745 3.133 1.00 0.00 C ATOM 637 O LYS A 42 -0.276 16.831 3.688 1.00 0.00 O ATOM 638 CB LYS A 42 -1.697 13.818 3.132 1.00 0.00 C ATOM 639 CG LYS A 42 -3.015 13.253 2.631 1.00 0.00 C ATOM 640 CD LYS A 42 -4.192 14.108 3.070 1.00 0.00 C ATOM 641 CE LYS A 42 -5.501 13.594 2.491 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.664 13.945 3.353 1.00 0.00 N ATOM 0 H LYS A 42 -0.363 13.804 0.948 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.071 15.765 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.928 13.050 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.794 14.061 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.995 13.191 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.142 12.237 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.252 14.115 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.033 15.139 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.647 14.013 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.447 12.511 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.537 13.577 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.537 13.524 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.731 14.979 3.442 1.00 0.00 H new ATOM 656 N VAL A 43 1.060 15.100 3.152 1.00 0.00 N ATOM 657 CA VAL A 43 2.224 15.644 3.841 1.00 0.00 C ATOM 658 C VAL A 43 2.948 16.666 2.972 1.00 0.00 C ATOM 659 O VAL A 43 2.928 17.863 3.257 1.00 0.00 O ATOM 660 CB VAL A 43 3.212 14.531 4.236 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.293 15.078 5.156 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.476 13.374 4.894 1.00 0.00 C ATOM 0 H VAL A 43 1.220 14.201 2.698 1.00 0.00 H new ATOM 0 HA VAL A 43 1.858 16.133 4.744 1.00 0.00 H new ATOM 0 HB VAL A 43 3.693 14.158 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.982 14.277 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.839 15.870 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.833 15.479 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.190 12.597 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.967 13.729 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.743 12.966 4.198 1.00 0.00 H new ATOM 672 N GLY A 44 3.588 16.186 1.910 1.00 0.00 N ATOM 673 CA GLY A 44 4.310 17.072 1.016 1.00 0.00 C ATOM 674 C GLY A 44 5.711 16.577 0.716 1.00 0.00 C ATOM 675 O GLY A 44 5.888 15.498 0.153 1.00 0.00 O ATOM 0 H GLY A 44 3.619 15.199 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.756 17.172 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.366 18.065 1.461 1.00 0.00 H new ATOM 679 N ASN A 45 6.709 17.370 1.093 1.00 0.00 N ATOM 680 CA ASN A 45 8.103 17.007 0.859 1.00 0.00 C ATOM 681 C ASN A 45 8.593 16.022 1.915 1.00 0.00 C ATOM 682 O ASN A 45 8.523 16.296 3.114 1.00 0.00 O ATOM 683 CB ASN A 45 8.984 18.258 0.863 1.00 0.00 C ATOM 684 CG ASN A 45 8.701 19.169 -0.316 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.741 19.939 -0.302 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.539 19.084 -1.343 1.00 0.00 N ATOM 0 H ASN A 45 6.579 18.267 1.561 1.00 0.00 H new ATOM 0 HA ASN A 45 8.169 16.527 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.824 18.808 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.032 17.961 0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.400 19.672 -2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.322 18.431 -1.310 1.00 0.00 H new ATOM 693 N CYS A 46 9.089 14.876 1.462 1.00 0.00 N ATOM 694 CA CYS A 46 9.592 13.849 2.368 1.00 0.00 C ATOM 695 C CYS A 46 10.638 14.425 3.316 1.00 0.00 C ATOM 696 O CYS A 46 11.837 14.357 3.049 1.00 0.00 O ATOM 697 CB CYS A 46 10.190 12.687 1.574 1.00 0.00 C ATOM 698 SG CYS A 46 10.517 11.209 2.562 1.00 0.00 S ATOM 0 H CYS A 46 9.154 14.634 0.473 1.00 0.00 H new ATOM 0 HA CYS A 46 8.755 13.481 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.509 12.426 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.121 13.017 1.114 1.00 0.00 H new ATOM 0 HG CYS A 46 10.194 11.435 3.801 1.00 0.00 H new ATOM 704 N ASN A 47 10.176 14.995 4.425 1.00 0.00 N ATOM 705 CA ASN A 47 11.072 15.585 5.412 1.00 0.00 C ATOM 706 C ASN A 47 11.300 14.630 6.580 1.00 0.00 C ATOM 707 O ASN A 47 11.516 15.058 7.714 1.00 0.00 O ATOM 708 CB ASN A 47 10.500 16.908 5.925 1.00 0.00 C ATOM 709 CG ASN A 47 9.128 16.741 6.550 1.00 0.00 C ATOM 710 OD1 ASN A 47 9.007 16.369 7.717 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.087 17.015 5.773 1.00 0.00 N ATOM 0 H ASN A 47 9.186 15.060 4.662 1.00 0.00 H new ATOM 0 HA ASN A 47 12.030 15.774 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.182 17.335 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.437 17.618 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.139 16.920 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.235 17.321 4.811 1.00 0.00 H new ATOM 718 N THR A 48 11.253 13.333 6.294 1.00 0.00 N ATOM 719 CA THR A 48 11.454 12.317 7.319 1.00 0.00 C ATOM 720 C THR A 48 12.766 11.571 7.105 1.00 0.00 C ATOM 721 O THR A 48 13.228 11.390 5.979 1.00 0.00 O ATOM 722 CB THR A 48 10.296 11.301 7.338 1.00 0.00 C ATOM 723 OG1 THR A 48 9.928 10.953 5.998 1.00 0.00 O ATOM 724 CG2 THR A 48 9.089 11.868 8.069 1.00 0.00 C ATOM 0 H THR A 48 11.077 12.961 5.360 1.00 0.00 H new ATOM 0 HA THR A 48 11.487 12.837 8.276 1.00 0.00 H new ATOM 0 HB THR A 48 10.634 10.409 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.381 10.123 5.739 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.285 11.132 8.069 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.364 12.105 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.752 12.774 7.566 1.00 0.00 H new ATOM 732 N PRO A 49 13.382 11.126 8.211 1.00 0.00 N ATOM 733 CA PRO A 49 14.650 10.392 8.169 1.00 0.00 C ATOM 734 C PRO A 49 14.491 8.995 7.577 1.00 0.00 C ATOM 735 O PRO A 49 13.407 8.413 7.615 1.00 0.00 O ATOM 736 CB PRO A 49 15.058 10.305 9.641 1.00 0.00 C ATOM 737 CG PRO A 49 13.778 10.404 10.396 1.00 0.00 C ATOM 738 CD PRO A 49 12.888 11.306 9.586 1.00 0.00 C ATOM 0 HA PRO A 49 15.387 10.887 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.572 9.368 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.740 11.111 9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.324 9.421 10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.944 10.812 11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.839 11.023 9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.967 12.344 9.909 1.00 0.00 H new ATOM 746 N LYS A 50 15.579 8.462 7.031 1.00 0.00 N ATOM 747 CA LYS A 50 15.562 7.133 6.432 1.00 0.00 C ATOM 748 C LYS A 50 15.354 6.060 7.496 1.00 0.00 C ATOM 749 O LYS A 50 16.054 6.010 8.507 1.00 0.00 O ATOM 750 CB LYS A 50 16.869 6.873 5.680 1.00 0.00 C ATOM 751 CG LYS A 50 16.806 5.678 4.745 1.00 0.00 C ATOM 752 CD LYS A 50 17.846 5.776 3.642 1.00 0.00 C ATOM 753 CE LYS A 50 17.469 4.922 2.442 1.00 0.00 C ATOM 754 NZ LYS A 50 18.000 3.536 2.558 1.00 0.00 N ATOM 0 H LYS A 50 16.484 8.931 6.991 1.00 0.00 H new ATOM 0 HA LYS A 50 14.730 7.089 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.130 7.761 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.669 6.716 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.963 4.762 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.812 5.613 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.951 6.815 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.816 5.458 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.384 4.888 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.854 5.383 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.721 2.986 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.038 3.566 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.613 3.086 3.412 1.00 0.00 H new ATOM 768 N PRO A 51 14.369 5.178 7.264 1.00 0.00 N ATOM 769 CA PRO A 51 14.048 4.089 8.190 1.00 0.00 C ATOM 770 C PRO A 51 15.132 3.017 8.224 1.00 0.00 C ATOM 771 O PRO A 51 15.644 2.606 7.182 1.00 0.00 O ATOM 772 CB PRO A 51 12.746 3.515 7.625 1.00 0.00 C ATOM 773 CG PRO A 51 12.778 3.859 6.176 1.00 0.00 C ATOM 774 CD PRO A 51 13.495 5.178 6.079 1.00 0.00 C ATOM 0 HA PRO A 51 13.964 4.441 9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.691 2.437 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.876 3.950 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.297 3.090 5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.769 3.932 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.069 5.256 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.798 6.016 6.093 1.00 0.00 H new ATOM 782 N SER A 52 15.478 2.569 9.426 1.00 0.00 N ATOM 783 CA SER A 52 16.505 1.547 9.595 1.00 0.00 C ATOM 784 C SER A 52 16.255 0.367 8.660 1.00 0.00 C ATOM 785 O SER A 52 15.112 -0.025 8.429 1.00 0.00 O ATOM 786 CB SER A 52 16.540 1.064 11.046 1.00 0.00 C ATOM 787 OG SER A 52 17.808 0.524 11.373 1.00 0.00 O ATOM 0 H SER A 52 15.062 2.897 10.298 1.00 0.00 H new ATOM 0 HA SER A 52 17.469 1.990 9.344 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.311 1.894 11.714 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.769 0.309 11.200 1.00 0.00 H new ATOM 0 HG SER A 52 17.805 0.224 12.306 1.00 0.00 H new ATOM 793 N PHE A 53 17.335 -0.194 8.126 1.00 0.00 N ATOM 794 CA PHE A 53 17.235 -1.329 7.215 1.00 0.00 C ATOM 795 C PHE A 53 16.351 -2.424 7.805 1.00 0.00 C ATOM 796 O PHE A 53 15.588 -3.074 7.091 1.00 0.00 O ATOM 797 CB PHE A 53 18.626 -1.889 6.910 1.00 0.00 C ATOM 798 CG PHE A 53 18.597 -3.235 6.243 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.350 -4.383 6.979 1.00 0.00 C ATOM 800 CD2 PHE A 53 18.816 -3.352 4.880 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.323 -5.622 6.368 1.00 0.00 C ATOM 802 CE2 PHE A 53 18.790 -4.589 4.264 1.00 0.00 C ATOM 803 CZ PHE A 53 18.544 -5.725 5.009 1.00 0.00 C ATOM 0 H PHE A 53 18.289 0.118 8.308 1.00 0.00 H new ATOM 0 HA PHE A 53 16.780 -0.980 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.159 -1.186 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.190 -1.965 7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.177 -4.308 8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.009 -2.467 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.129 -6.509 6.953 1.00 0.00 H new ATOM 0 HE2 PHE A 53 18.962 -4.667 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.524 -6.693 4.530 1.00 0.00 H new ATOM 813 N PHE A 54 16.461 -2.623 9.115 1.00 0.00 N ATOM 814 CA PHE A 54 15.674 -3.640 9.802 1.00 0.00 C ATOM 815 C PHE A 54 14.181 -3.407 9.590 1.00 0.00 C ATOM 816 O PHE A 54 13.423 -4.347 9.347 1.00 0.00 O ATOM 817 CB PHE A 54 15.994 -3.638 11.298 1.00 0.00 C ATOM 818 CG PHE A 54 17.205 -4.453 11.653 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.378 -4.328 10.926 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.170 -5.345 12.713 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.494 -5.077 11.250 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.283 -6.096 13.041 1.00 0.00 C ATOM 823 CZ PHE A 54 19.446 -5.962 12.308 1.00 0.00 C ATOM 0 H PHE A 54 17.087 -2.093 9.721 1.00 0.00 H new ATOM 0 HA PHE A 54 15.936 -4.611 9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.148 -2.610 11.627 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.134 -4.022 11.846 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.421 -3.637 10.097 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.263 -5.455 13.289 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.402 -4.970 10.676 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.243 -6.787 13.870 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.316 -6.549 12.562 1.00 0.00 H new ATOM 833 N ASP A 55 13.765 -2.149 9.685 1.00 0.00 N ATOM 834 CA ASP A 55 12.363 -1.791 9.504 1.00 0.00 C ATOM 835 C ASP A 55 11.992 -1.780 8.024 1.00 0.00 C ATOM 836 O ASP A 55 11.989 -0.730 7.382 1.00 0.00 O ATOM 837 CB ASP A 55 12.079 -0.422 10.123 1.00 0.00 C ATOM 838 CG ASP A 55 10.601 -0.192 10.368 1.00 0.00 C ATOM 839 OD1 ASP A 55 10.097 -0.637 11.420 1.00 0.00 O ATOM 840 OD2 ASP A 55 9.948 0.434 9.507 1.00 0.00 O ATOM 0 H ASP A 55 14.379 -1.360 9.886 1.00 0.00 H new ATOM 0 HA ASP A 55 11.754 -2.542 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.618 -0.334 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.461 0.358 9.464 1.00 0.00 H new ATOM 845 N PHE A 56 11.681 -2.956 7.488 1.00 0.00 N ATOM 846 CA PHE A 56 11.311 -3.083 6.084 1.00 0.00 C ATOM 847 C PHE A 56 9.933 -2.479 5.828 1.00 0.00 C ATOM 848 O PHE A 56 9.786 -1.567 5.015 1.00 0.00 O ATOM 849 CB PHE A 56 11.321 -4.554 5.662 1.00 0.00 C ATOM 850 CG PHE A 56 12.220 -5.412 6.505 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.751 -5.994 7.671 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.535 -5.638 6.131 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.575 -6.785 8.449 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.364 -6.428 6.904 1.00 0.00 C ATOM 855 CZ PHE A 56 13.884 -7.002 8.065 1.00 0.00 C ATOM 0 H PHE A 56 11.678 -3.835 8.006 1.00 0.00 H new ATOM 0 HA PHE A 56 12.044 -2.537 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.305 -4.946 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.637 -4.623 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.728 -5.828 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.916 -5.191 5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.196 -7.233 9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.387 -6.597 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.531 -7.619 8.671 1.00 0.00 H new ATOM 865 N GLU A 57 8.928 -2.995 6.528 1.00 0.00 N ATOM 866 CA GLU A 57 7.562 -2.508 6.375 1.00 0.00 C ATOM 867 C GLU A 57 7.544 -0.997 6.160 1.00 0.00 C ATOM 868 O GLU A 57 6.803 -0.488 5.320 1.00 0.00 O ATOM 869 CB GLU A 57 6.728 -2.868 7.606 1.00 0.00 C ATOM 870 CG GLU A 57 6.834 -4.330 8.007 1.00 0.00 C ATOM 871 CD GLU A 57 5.839 -4.713 9.085 1.00 0.00 C ATOM 872 OE1 GLU A 57 4.689 -5.055 8.735 1.00 0.00 O ATOM 873 OE2 GLU A 57 6.208 -4.671 10.277 1.00 0.00 O ATOM 0 H GLU A 57 9.034 -3.750 7.206 1.00 0.00 H new ATOM 0 HA GLU A 57 7.129 -2.988 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.045 -2.246 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.683 -2.629 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.672 -4.956 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.844 -4.533 8.362 1.00 0.00 H new ATOM 880 N GLY A 58 8.367 -0.286 6.926 1.00 0.00 N ATOM 881 CA GLY A 58 8.430 1.159 6.804 1.00 0.00 C ATOM 882 C GLY A 58 9.385 1.608 5.717 1.00 0.00 C ATOM 883 O GLY A 58 9.218 2.681 5.137 1.00 0.00 O ATOM 0 H GLY A 58 8.990 -0.685 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.434 1.546 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.741 1.588 7.757 1.00 0.00 H new ATOM 887 N LYS A 59 10.392 0.786 5.439 1.00 0.00 N ATOM 888 CA LYS A 59 11.380 1.103 4.415 1.00 0.00 C ATOM 889 C LYS A 59 10.702 1.409 3.083 1.00 0.00 C ATOM 890 O LYS A 59 10.751 2.539 2.597 1.00 0.00 O ATOM 891 CB LYS A 59 12.361 -0.059 4.245 1.00 0.00 C ATOM 892 CG LYS A 59 13.677 0.345 3.605 1.00 0.00 C ATOM 893 CD LYS A 59 14.768 -0.677 3.879 1.00 0.00 C ATOM 894 CE LYS A 59 14.441 -2.023 3.250 1.00 0.00 C ATOM 895 NZ LYS A 59 14.356 -1.935 1.766 1.00 0.00 N ATOM 0 H LYS A 59 10.545 -0.106 5.910 1.00 0.00 H new ATOM 0 HA LYS A 59 11.929 1.988 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.562 -0.500 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.893 -0.833 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.541 0.454 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.985 1.318 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.717 -0.312 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.893 -0.798 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.205 -2.749 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.494 -2.389 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.369 -2.892 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.473 -1.457 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.167 -1.394 1.403 1.00 0.00 H new ATOM 909 N GLN A 60 10.071 0.396 2.498 1.00 0.00 N ATOM 910 CA GLN A 60 9.383 0.559 1.223 1.00 0.00 C ATOM 911 C GLN A 60 8.639 1.889 1.171 1.00 0.00 C ATOM 912 O GLN A 60 8.850 2.696 0.266 1.00 0.00 O ATOM 913 CB GLN A 60 8.405 -0.595 0.996 1.00 0.00 C ATOM 914 CG GLN A 60 7.586 -0.949 2.227 1.00 0.00 C ATOM 915 CD GLN A 60 6.934 -2.314 2.121 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.106 -3.166 2.993 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.180 -2.529 1.050 1.00 0.00 N ATOM 0 H GLN A 60 10.022 -0.546 2.887 1.00 0.00 H new ATOM 0 HA GLN A 60 10.132 0.552 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.728 -0.332 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.962 -1.475 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.230 -0.925 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.815 -0.193 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.065 -1.795 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.716 -3.429 0.925 1.00 0.00 H new ATOM 926 N LYS A 61 7.767 2.112 2.148 1.00 0.00 N ATOM 927 CA LYS A 61 6.991 3.344 2.216 1.00 0.00 C ATOM 928 C LYS A 61 7.893 4.564 2.055 1.00 0.00 C ATOM 929 O LYS A 61 7.781 5.306 1.078 1.00 0.00 O ATOM 930 CB LYS A 61 6.238 3.425 3.546 1.00 0.00 C ATOM 931 CG LYS A 61 5.683 2.091 4.013 1.00 0.00 C ATOM 932 CD LYS A 61 4.424 2.271 4.843 1.00 0.00 C ATOM 933 CE LYS A 61 3.505 1.064 4.731 1.00 0.00 C ATOM 934 NZ LYS A 61 3.793 0.048 5.781 1.00 0.00 N ATOM 0 H LYS A 61 7.580 1.454 2.905 1.00 0.00 H new ATOM 0 HA LYS A 61 6.270 3.336 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.909 3.817 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.417 4.136 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.463 1.465 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.437 1.568 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.695 2.428 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.894 3.165 4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.468 1.388 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.619 0.611 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.217 -0.801 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.801 -0.206 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.562 0.440 6.716 1.00 0.00 H new ATOM 948 N TRP A 62 8.786 4.765 3.017 1.00 0.00 N ATOM 949 CA TRP A 62 9.708 5.895 2.980 1.00 0.00 C ATOM 950 C TRP A 62 10.259 6.102 1.574 1.00 0.00 C ATOM 951 O TRP A 62 10.272 7.221 1.062 1.00 0.00 O ATOM 952 CB TRP A 62 10.857 5.673 3.965 1.00 0.00 C ATOM 953 CG TRP A 62 11.693 6.897 4.187 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.456 7.899 5.085 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.897 7.250 3.498 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.441 8.853 4.996 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.338 8.478 4.031 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.648 6.647 2.485 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.493 9.111 3.582 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.794 7.278 2.041 1.00 0.00 C ATOM 961 CH2 TRP A 62 15.209 8.499 2.589 1.00 0.00 C ATOM 0 H TRP A 62 8.892 4.161 3.832 1.00 0.00 H new ATOM 0 HA TRP A 62 9.159 6.791 3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.449 5.342 4.920 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.493 4.869 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.618 7.936 5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.495 9.703 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.338 5.705 2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.813 10.053 4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.381 6.822 1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.111 8.966 2.221 1.00 0.00 H new ATOM 972 N GLU A 63 10.714 5.017 0.955 1.00 0.00 N ATOM 973 CA GLU A 63 11.266 5.082 -0.393 1.00 0.00 C ATOM 974 C GLU A 63 10.222 5.584 -1.385 1.00 0.00 C ATOM 975 O GLU A 63 10.310 6.707 -1.881 1.00 0.00 O ATOM 976 CB GLU A 63 11.778 3.706 -0.825 1.00 0.00 C ATOM 977 CG GLU A 63 12.979 3.225 -0.028 1.00 0.00 C ATOM 978 CD GLU A 63 13.659 2.028 -0.664 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.405 2.221 -1.646 1.00 0.00 O ATOM 980 OE2 GLU A 63 13.444 0.897 -0.178 1.00 0.00 O ATOM 0 H GLU A 63 10.711 4.083 1.365 1.00 0.00 H new ATOM 0 HA GLU A 63 12.099 5.785 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.971 2.980 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.045 3.742 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.698 4.039 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.660 2.963 0.981 1.00 0.00 H new ATOM 987 N ALA A 64 9.234 4.743 -1.672 1.00 0.00 N ATOM 988 CA ALA A 64 8.172 5.100 -2.603 1.00 0.00 C ATOM 989 C ALA A 64 7.785 6.568 -2.458 1.00 0.00 C ATOM 990 O ALA A 64 7.748 7.310 -3.439 1.00 0.00 O ATOM 991 CB ALA A 64 6.958 4.209 -2.388 1.00 0.00 C ATOM 0 H ALA A 64 9.147 3.809 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 64 8.545 4.948 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.173 4.488 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.237 3.168 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.593 4.332 -1.368 1.00 0.00 H new ATOM 997 N TRP A 65 7.497 6.980 -1.229 1.00 0.00 N ATOM 998 CA TRP A 65 7.112 8.360 -0.956 1.00 0.00 C ATOM 999 C TRP A 65 8.303 9.299 -1.115 1.00 0.00 C ATOM 1000 O TRP A 65 8.150 10.446 -1.535 1.00 0.00 O ATOM 1001 CB TRP A 65 6.537 8.481 0.457 1.00 0.00 C ATOM 1002 CG TRP A 65 6.310 9.898 0.887 1.00 0.00 C ATOM 1003 CD1 TRP A 65 6.063 10.971 0.078 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.313 10.398 2.228 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.912 12.106 0.836 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.059 11.781 2.158 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.502 9.810 3.482 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.992 12.584 3.294 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.435 10.608 4.609 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.181 11.982 4.509 1.00 0.00 C ATOM 0 H TRP A 65 7.523 6.378 -0.406 1.00 0.00 H new ATOM 0 HA TRP A 65 6.347 8.647 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.593 7.939 0.505 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.217 8.000 1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.996 10.932 -0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.721 13.040 0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.697 8.751 3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.798 13.644 3.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.581 10.165 5.583 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.133 12.578 5.408 1.00 0.00 H new ATOM 1021 N LYS A 66 9.489 8.805 -0.776 1.00 0.00 N ATOM 1022 CA LYS A 66 10.707 9.600 -0.883 1.00 0.00 C ATOM 1023 C LYS A 66 10.950 10.032 -2.325 1.00 0.00 C ATOM 1024 O LYS A 66 11.283 11.187 -2.589 1.00 0.00 O ATOM 1025 CB LYS A 66 11.908 8.801 -0.370 1.00 0.00 C ATOM 1026 CG LYS A 66 13.248 9.427 -0.717 1.00 0.00 C ATOM 1027 CD LYS A 66 13.567 10.601 0.193 1.00 0.00 C ATOM 1028 CE LYS A 66 14.804 11.351 -0.278 1.00 0.00 C ATOM 1029 NZ LYS A 66 15.035 12.592 0.512 1.00 0.00 N ATOM 0 H LYS A 66 9.633 7.858 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 66 10.583 10.493 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.832 8.702 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.868 7.794 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.034 8.676 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.237 9.762 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.716 11.282 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.723 10.242 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.675 10.701 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.694 11.607 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.887 13.074 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.215 13.224 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.165 12.346 1.514 1.00 0.00 H new ATOM 1043 N ALA A 67 10.780 9.098 -3.255 1.00 0.00 N ATOM 1044 CA ALA A 67 10.978 9.385 -4.671 1.00 0.00 C ATOM 1045 C ALA A 67 10.212 10.635 -5.090 1.00 0.00 C ATOM 1046 O ALA A 67 10.627 11.353 -6.000 1.00 0.00 O ATOM 1047 CB ALA A 67 10.549 8.193 -5.515 1.00 0.00 C ATOM 0 H ALA A 67 10.506 8.136 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 67 12.040 9.570 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.702 8.420 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.143 7.321 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.494 7.983 -5.338 1.00 0.00 H new ATOM 1053 N LEU A 68 9.093 10.889 -4.421 1.00 0.00 N ATOM 1054 CA LEU A 68 8.268 12.054 -4.725 1.00 0.00 C ATOM 1055 C LEU A 68 8.829 13.307 -4.060 1.00 0.00 C ATOM 1056 O LEU A 68 8.117 14.017 -3.350 1.00 0.00 O ATOM 1057 CB LEU A 68 6.829 11.818 -4.264 1.00 0.00 C ATOM 1058 CG LEU A 68 6.158 10.545 -4.780 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.807 10.344 -4.112 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.004 10.599 -6.293 1.00 0.00 C ATOM 0 H LEU A 68 8.736 10.305 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 68 8.277 12.204 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.817 11.795 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.226 12.672 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 68 6.794 9.696 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.345 9.433 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.943 10.259 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.163 11.196 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.525 9.685 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.391 11.458 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.986 10.693 -6.756 1.00 0.00 H new ATOM 1072 N GLY A 69 10.110 13.573 -4.296 1.00 0.00 N ATOM 1073 CA GLY A 69 10.744 14.742 -3.714 1.00 0.00 C ATOM 1074 C GLY A 69 9.957 16.013 -3.964 1.00 0.00 C ATOM 1075 O GLY A 69 9.282 16.520 -3.067 1.00 0.00 O ATOM 0 H GLY A 69 10.720 13.000 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.857 14.593 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.746 14.852 -4.128 1.00 0.00 H new ATOM 1079 N ASP A 70 10.043 16.531 -5.184 1.00 0.00 N ATOM 1080 CA ASP A 70 9.334 17.752 -5.549 1.00 0.00 C ATOM 1081 C ASP A 70 8.113 17.435 -6.407 1.00 0.00 C ATOM 1082 O ASP A 70 7.936 18.002 -7.485 1.00 0.00 O ATOM 1083 CB ASP A 70 10.267 18.704 -6.299 1.00 0.00 C ATOM 1084 CG ASP A 70 10.711 18.146 -7.636 1.00 0.00 C ATOM 1085 OD1 ASP A 70 11.407 17.110 -7.645 1.00 0.00 O ATOM 1086 OD2 ASP A 70 10.362 18.746 -8.675 1.00 0.00 O ATOM 0 H ASP A 70 10.597 16.124 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 70 8.996 18.235 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.760 19.656 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.144 18.908 -5.684 1.00 0.00 H new ATOM 1091 N SER A 71 7.275 16.525 -5.922 1.00 0.00 N ATOM 1092 CA SER A 71 6.073 16.129 -6.646 1.00 0.00 C ATOM 1093 C SER A 71 4.872 16.956 -6.199 1.00 0.00 C ATOM 1094 O SER A 71 4.780 17.362 -5.041 1.00 0.00 O ATOM 1095 CB SER A 71 5.790 14.641 -6.433 1.00 0.00 C ATOM 1096 OG SER A 71 6.949 13.861 -6.675 1.00 0.00 O ATOM 0 H SER A 71 7.406 16.048 -5.030 1.00 0.00 H new ATOM 0 HA SER A 71 6.242 16.311 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.443 14.476 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.988 14.321 -7.098 1.00 0.00 H new ATOM 0 HG SER A 71 6.727 13.125 -7.282 1.00 0.00 H new ATOM 1102 N SER A 72 3.952 17.202 -7.127 1.00 0.00 N ATOM 1103 CA SER A 72 2.757 17.984 -6.831 1.00 0.00 C ATOM 1104 C SER A 72 1.645 17.091 -6.290 1.00 0.00 C ATOM 1105 O SER A 72 1.628 15.879 -6.502 1.00 0.00 O ATOM 1106 CB SER A 72 2.276 18.714 -8.086 1.00 0.00 C ATOM 1107 OG SER A 72 2.888 19.987 -8.202 1.00 0.00 O ATOM 0 H SER A 72 4.011 16.871 -8.090 1.00 0.00 H new ATOM 0 HA SER A 72 3.013 18.719 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.504 18.116 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.193 18.830 -8.050 1.00 0.00 H new ATOM 0 HG SER A 72 2.565 20.432 -9.013 1.00 0.00 H new ATOM 1113 N PRO A 73 0.691 17.705 -5.573 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.444 16.986 -4.986 1.00 0.00 C ATOM 1115 C PRO A 73 -1.423 16.487 -6.044 1.00 0.00 C ATOM 1116 O PRO A 73 -1.792 15.313 -6.056 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.109 18.040 -4.097 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.728 19.345 -4.706 1.00 0.00 C ATOM 1119 CD PRO A 73 0.647 19.147 -5.281 1.00 0.00 C ATOM 0 HA PRO A 73 -0.127 16.093 -4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.191 17.914 -4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.759 17.967 -3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.437 19.636 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.728 20.139 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.796 19.744 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.424 19.438 -4.574 1.00 0.00 H new ATOM 1127 N SER A 74 -1.839 17.386 -6.930 1.00 0.00 N ATOM 1128 CA SER A 74 -2.777 17.036 -7.990 1.00 0.00 C ATOM 1129 C SER A 74 -2.202 15.945 -8.888 1.00 0.00 C ATOM 1130 O SER A 74 -2.931 15.086 -9.382 1.00 0.00 O ATOM 1131 CB SER A 74 -3.120 18.272 -8.825 1.00 0.00 C ATOM 1132 OG SER A 74 -3.138 19.440 -8.023 1.00 0.00 O ATOM 0 H SER A 74 -1.541 18.362 -6.935 1.00 0.00 H new ATOM 0 HA SER A 74 -3.687 16.656 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.390 18.388 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.093 18.137 -9.298 1.00 0.00 H new ATOM 0 HG SER A 74 -3.358 20.216 -8.580 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.889 15.987 -9.093 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.216 15.003 -9.931 1.00 0.00 C ATOM 1140 C GLN A 75 -0.212 13.632 -9.265 1.00 0.00 C ATOM 1141 O GLN A 75 -0.096 12.606 -9.935 1.00 0.00 O ATOM 1142 CB GLN A 75 1.219 15.446 -10.222 1.00 0.00 C ATOM 1143 CG GLN A 75 1.308 16.671 -11.118 1.00 0.00 C ATOM 1144 CD GLN A 75 1.279 16.319 -12.592 1.00 0.00 C ATOM 1145 OE1 GLN A 75 0.909 15.207 -12.969 1.00 0.00 O ATOM 1146 NE2 GLN A 75 1.669 17.268 -13.435 1.00 0.00 N ATOM 0 H GLN A 75 -0.271 16.692 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.763 14.928 -10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.723 15.658 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.756 14.622 -10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.480 17.342 -10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.227 17.213 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.968 18.176 -13.078 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.670 17.089 -14.439 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.339 13.622 -7.942 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.351 12.376 -7.185 1.00 0.00 C ATOM 1157 C ALA A 76 -1.759 11.795 -7.107 1.00 0.00 C ATOM 1158 O ALA A 76 -1.935 10.585 -6.969 1.00 0.00 O ATOM 1159 CB ALA A 76 0.207 12.601 -5.788 1.00 0.00 C ATOM 0 H ALA A 76 -0.435 14.463 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 76 0.282 11.658 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.192 11.662 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.233 12.963 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.403 13.339 -5.267 1.00 0.00 H new ATOM 1165 N MET A 77 -2.759 12.666 -7.195 1.00 0.00 N ATOM 1166 CA MET A 77 -4.152 12.239 -7.134 1.00 0.00 C ATOM 1167 C MET A 77 -4.612 11.693 -8.482 1.00 0.00 C ATOM 1168 O MET A 77 -5.404 10.753 -8.543 1.00 0.00 O ATOM 1169 CB MET A 77 -5.048 13.404 -6.710 1.00 0.00 C ATOM 1170 CG MET A 77 -4.777 13.896 -5.298 1.00 0.00 C ATOM 1171 SD MET A 77 -6.022 15.065 -4.718 1.00 0.00 S ATOM 1172 CE MET A 77 -4.985 16.416 -4.162 1.00 0.00 C ATOM 0 H MET A 77 -2.631 13.671 -7.309 1.00 0.00 H new ATOM 0 HA MET A 77 -4.230 11.443 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.909 14.231 -7.407 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.091 13.096 -6.785 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.742 13.043 -4.621 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.796 14.370 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.612 17.241 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.356 16.077 -3.339 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.355 16.754 -4.985 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.111 12.289 -9.560 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.472 11.862 -10.906 1.00 0.00 C ATOM 1184 C GLN A 78 -4.244 10.365 -11.082 1.00 0.00 C ATOM 1185 O GLN A 78 -5.144 9.635 -11.495 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.663 12.640 -11.945 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.136 14.072 -12.138 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.878 14.587 -13.540 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.731 14.667 -13.983 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.944 14.941 -14.247 1.00 0.00 N ATOM 0 H GLN A 78 -3.454 13.069 -9.527 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.532 12.068 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.615 12.650 -11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.716 12.117 -12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.203 14.130 -11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.631 14.717 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.876 14.858 -13.841 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.831 15.296 -15.197 1.00 0.00 H new ATOM 1199 N GLU A 79 -3.033 9.915 -10.768 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.686 8.504 -10.893 1.00 0.00 C ATOM 1201 C GLU A 79 -3.304 7.690 -9.760 1.00 0.00 C ATOM 1202 O GLU A 79 -3.766 6.567 -9.969 1.00 0.00 O ATOM 1203 CB GLU A 79 -1.166 8.328 -10.892 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.502 8.766 -12.187 1.00 0.00 C ATOM 1205 CD GLU A 79 -1.009 7.998 -13.392 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -2.132 8.292 -13.852 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.283 7.103 -13.874 1.00 0.00 O ATOM 0 H GLU A 79 -2.276 10.507 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.086 8.140 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.743 8.899 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.930 7.280 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.678 9.831 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.576 8.630 -12.102 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.308 8.262 -8.562 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.866 7.589 -7.395 1.00 0.00 C ATOM 1216 C TYR A 80 -5.271 7.068 -7.686 1.00 0.00 C ATOM 1217 O TYR A 80 -5.682 6.033 -7.161 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.902 8.541 -6.199 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.555 7.948 -4.971 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.928 7.737 -4.924 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.800 7.598 -3.859 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.529 7.196 -3.804 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.392 7.055 -2.735 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.757 6.856 -2.713 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.351 6.316 -1.595 1.00 0.00 O ATOM 0 H TYR A 80 -2.931 9.191 -8.373 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.225 6.740 -7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.883 8.837 -5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.437 9.447 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.535 8.000 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.731 7.753 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.597 7.040 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.790 6.788 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.667 6.132 -0.918 1.00 0.00 H new ATOM 1235 N ILE A 81 -6.000 7.793 -8.528 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.357 7.404 -8.891 1.00 0.00 C ATOM 1237 C ILE A 81 -7.353 6.400 -10.039 1.00 0.00 C ATOM 1238 O ILE A 81 -7.832 5.276 -9.896 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.204 8.625 -9.295 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.683 9.375 -8.051 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.387 8.191 -10.148 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.864 10.861 -8.273 1.00 0.00 C ATOM 0 H ILE A 81 -5.674 8.652 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.799 6.942 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.584 9.299 -9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.630 8.947 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.965 9.221 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.976 9.065 -10.425 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.024 7.697 -11.049 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.010 7.499 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.205 11.328 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.914 11.302 -8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.604 11.024 -9.057 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.807 6.814 -11.178 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.736 5.950 -12.349 1.00 0.00 C ATOM 1256 C ALA A 82 -6.561 4.490 -11.945 1.00 0.00 C ATOM 1257 O ALA A 82 -7.373 3.635 -12.300 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.598 6.388 -13.260 1.00 0.00 C ATOM 0 H ALA A 82 -6.408 7.743 -11.314 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.677 6.039 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.557 5.734 -14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.767 7.415 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.654 6.330 -12.717 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.495 4.210 -11.201 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.214 2.854 -10.748 1.00 0.00 C ATOM 1266 C VAL A 83 -6.477 2.173 -10.234 1.00 0.00 C ATOM 1267 O VAL A 83 -6.868 1.113 -10.723 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.148 2.843 -9.636 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.510 3.834 -8.540 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.988 1.441 -9.067 1.00 0.00 C ATOM 0 H VAL A 83 -4.812 4.905 -10.900 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.834 2.305 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.194 3.147 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.746 3.812 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.570 4.837 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.474 3.563 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.231 1.451 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.938 1.107 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.680 0.760 -9.860 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.113 2.789 -9.242 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.334 2.244 -8.662 1.00 0.00 C ATOM 1282 C VAL A 84 -9.338 1.868 -9.745 1.00 0.00 C ATOM 1283 O VAL A 84 -10.190 1.002 -9.546 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.991 3.246 -7.693 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.931 4.064 -6.972 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.959 4.151 -8.440 1.00 0.00 C ATOM 0 H VAL A 84 -6.802 3.666 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.049 1.349 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.555 2.688 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.413 4.766 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.281 3.398 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.338 4.615 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.414 4.853 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.420 4.704 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.737 3.546 -8.905 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.233 2.526 -10.895 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.130 2.261 -12.014 1.00 0.00 C ATOM 1298 C LYS A 85 -9.687 1.022 -12.785 1.00 0.00 C ATOM 1299 O LYS A 85 -10.515 0.269 -13.299 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.179 3.469 -12.952 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.448 4.783 -12.240 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.627 5.925 -13.225 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.520 7.017 -12.656 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.961 6.750 -12.921 1.00 0.00 N ATOM 0 H LYS A 85 -8.535 3.247 -11.076 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.127 2.080 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.231 3.542 -13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.955 3.306 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.343 4.688 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.621 5.009 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.653 6.345 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.060 5.545 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.357 7.096 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.242 7.977 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.536 7.517 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.122 6.700 -13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.233 5.846 -12.484 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.377 0.815 -12.861 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.823 -0.335 -13.566 1.00 0.00 C ATOM 1320 C LYS A 86 -8.203 -1.637 -12.868 1.00 0.00 C ATOM 1321 O LYS A 86 -8.263 -2.695 -13.496 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.300 -0.218 -13.657 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.825 0.698 -14.772 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.928 2.161 -14.374 1.00 0.00 C ATOM 1325 CE LYS A 86 -7.207 2.794 -14.900 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.205 2.893 -16.386 1.00 0.00 N ATOM 0 H LYS A 86 -7.678 1.429 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.241 -0.348 -14.573 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.915 0.151 -12.706 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.876 -1.211 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.791 0.460 -15.024 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.420 0.521 -15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.899 2.246 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.066 2.705 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.064 2.204 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.324 3.789 -14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.835 3.665 -16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.239 3.086 -16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.540 1.997 -16.794 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.459 -1.552 -11.568 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.835 -2.724 -10.784 1.00 0.00 C ATOM 1342 C LEU A 87 -10.349 -2.912 -10.778 1.00 0.00 C ATOM 1343 O LEU A 87 -10.845 -4.034 -10.884 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.321 -2.589 -9.350 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.025 -1.797 -9.173 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.962 -1.179 -7.785 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.817 -2.690 -9.416 1.00 0.00 C ATOM 0 H LEU A 87 -8.413 -0.684 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.380 -3.601 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.098 -2.115 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.170 -3.589 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.011 -0.992 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.033 -0.619 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.809 -0.506 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.999 -1.968 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.904 -2.110 -9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.826 -3.516 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.855 -3.085 -10.431 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.077 -1.808 -10.656 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.534 -1.851 -10.640 1.00 0.00 C ATOM 1361 C ASP A 88 -13.119 -0.806 -11.586 1.00 0.00 C ATOM 1362 O ASP A 88 -13.340 0.347 -11.217 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.057 -1.621 -9.221 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.566 -1.735 -9.135 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.255 -1.158 -10.002 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.059 -2.400 -8.200 1.00 0.00 O ATOM 0 H ASP A 88 -10.682 -0.872 -10.567 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.847 -2.838 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.602 -2.347 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.750 -0.632 -8.880 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.375 -1.217 -12.837 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.936 -0.333 -13.862 1.00 0.00 C ATOM 1373 C PRO A 89 -15.390 0.032 -13.580 1.00 0.00 C ATOM 1374 O PRO A 89 -15.867 1.088 -13.994 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.832 -1.163 -15.144 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.834 -2.579 -14.679 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.136 -2.578 -13.347 1.00 0.00 C ATOM 0 HA PRO A 89 -13.408 0.619 -13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.669 -0.965 -15.813 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.921 -0.928 -15.695 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.852 -2.958 -14.586 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.318 -3.224 -15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.545 -3.335 -12.678 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.071 -2.787 -13.451 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.090 -0.850 -12.872 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.482 -0.602 -12.547 1.00 0.00 C ATOM 1387 C GLY A 90 -17.644 0.335 -11.367 1.00 0.00 C ATOM 1388 O GLY A 90 -18.458 0.088 -10.476 1.00 0.00 O ATOM 0 H GLY A 90 -15.718 -1.731 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.985 -0.177 -13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.974 -1.549 -12.325 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.867 1.412 -11.358 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.927 2.389 -10.277 1.00 0.00 C ATOM 1394 C TRP A 91 -17.395 3.745 -10.793 1.00 0.00 C ATOM 1395 O TRP A 91 -16.780 4.325 -11.686 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.557 2.529 -9.611 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.449 3.728 -8.719 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.347 4.127 -7.770 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.384 4.684 -8.693 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.904 5.273 -7.156 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.702 5.635 -7.704 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.192 4.829 -9.408 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.871 6.714 -7.415 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.368 5.900 -9.120 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.710 6.831 -8.130 1.00 0.00 C ATOM 0 H TRP A 91 -16.188 1.631 -12.087 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.647 2.033 -9.540 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.351 1.632 -9.028 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.790 2.590 -10.383 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.270 3.616 -7.537 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.391 5.773 -6.413 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.920 4.116 -10.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.133 7.433 -6.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.445 6.022 -9.667 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -12.044 7.657 -7.927 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.488 4.245 -10.225 1.00 0.00 N ATOM 1417 CA ASN A 92 -19.038 5.533 -10.630 1.00 0.00 C ATOM 1418 C ASN A 92 -19.128 6.484 -9.440 1.00 0.00 C ATOM 1419 O ASN A 92 -20.127 6.526 -8.721 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.423 5.347 -11.253 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.404 4.386 -12.426 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -19.424 4.313 -13.167 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.492 3.645 -12.601 1.00 0.00 N ATOM 0 H ASN A 92 -19.010 3.778 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.369 5.968 -11.372 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.113 4.977 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -20.802 6.314 -11.585 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.538 2.982 -13.375 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.281 3.739 -11.962 1.00 0.00 H new ATOM 1430 N PRO A 93 -18.060 7.267 -9.226 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.994 8.233 -8.125 1.00 0.00 C ATOM 1432 C PRO A 93 -18.939 9.411 -8.330 1.00 0.00 C ATOM 1433 O PRO A 93 -19.425 10.003 -7.367 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.537 8.704 -8.154 1.00 0.00 C ATOM 1435 CG PRO A 93 -16.097 8.488 -9.561 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.835 7.270 -10.043 1.00 0.00 C ATOM 0 HA PRO A 93 -18.295 7.790 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.454 9.753 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.923 8.135 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.329 9.355 -10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.019 8.337 -9.614 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.062 7.333 -11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.251 6.362 -9.895 1.00 0.00 H new ATOM 1444 N GLN A 94 -19.195 9.746 -9.591 1.00 0.00 N ATOM 1445 CA GLN A 94 -20.083 10.855 -9.921 1.00 0.00 C ATOM 1446 C GLN A 94 -20.976 10.503 -11.106 1.00 0.00 C ATOM 1447 O GLN A 94 -20.493 10.294 -12.219 1.00 0.00 O ATOM 1448 CB GLN A 94 -19.269 12.111 -10.236 1.00 0.00 C ATOM 1449 CG GLN A 94 -18.894 12.918 -9.003 1.00 0.00 C ATOM 1450 CD GLN A 94 -19.986 13.881 -8.582 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -20.987 14.047 -9.280 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -19.800 14.523 -7.434 1.00 0.00 N ATOM 0 H GLN A 94 -18.801 9.266 -10.400 1.00 0.00 H new ATOM 0 HA GLN A 94 -20.718 11.049 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.359 11.822 -10.761 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -19.841 12.744 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.678 12.237 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.980 13.476 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -18.956 14.355 -6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -20.502 15.184 -7.100 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.280 10.439 -10.859 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.240 10.113 -11.906 1.00 0.00 C ATOM 1463 C ILE A 95 -24.049 11.341 -12.312 1.00 0.00 C ATOM 1464 O ILE A 95 -24.564 12.080 -11.473 1.00 0.00 O ATOM 1465 CB ILE A 95 -24.206 9.001 -11.458 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -23.456 7.677 -11.299 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -25.345 8.854 -12.456 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -22.729 7.549 -9.978 1.00 0.00 C ATOM 0 H ILE A 95 -22.696 10.609 -9.943 1.00 0.00 H new ATOM 0 HA ILE A 95 -22.665 9.760 -12.762 1.00 0.00 H new ATOM 0 HB ILE A 95 -24.629 9.276 -10.492 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -24.164 6.854 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -22.737 7.576 -12.112 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -26.019 8.064 -12.125 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.893 9.794 -12.524 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -24.940 8.599 -13.435 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.220 6.586 -9.935 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -21.997 8.351 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.446 7.617 -9.160 1.00 0.00 H new ATOM 1480 N PRO A 96 -24.166 11.564 -13.629 1.00 0.00 N ATOM 1481 CA PRO A 96 -24.913 12.700 -14.177 1.00 0.00 C ATOM 1482 C PRO A 96 -26.417 12.559 -13.968 1.00 0.00 C ATOM 1483 O PRO A 96 -27.074 13.480 -13.486 1.00 0.00 O ATOM 1484 CB PRO A 96 -24.574 12.661 -15.669 1.00 0.00 C ATOM 1485 CG PRO A 96 -24.225 11.238 -15.941 1.00 0.00 C ATOM 1486 CD PRO A 96 -23.577 10.723 -14.686 1.00 0.00 C ATOM 0 HA PRO A 96 -24.645 13.638 -13.690 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -25.420 12.984 -16.276 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -23.742 13.325 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -25.115 10.658 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -23.547 11.158 -16.791 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -23.793 9.667 -14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -22.492 10.824 -14.723 1.00 0.00 H new ATOM 1494 N GLU A 97 -26.955 11.399 -14.334 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.382 11.140 -14.187 1.00 0.00 C ATOM 1496 C GLU A 97 -28.855 11.486 -12.778 1.00 0.00 C ATOM 1497 O GLU A 97 -28.047 11.704 -11.875 1.00 0.00 O ATOM 1498 CB GLU A 97 -28.690 9.673 -14.494 1.00 0.00 C ATOM 1499 CG GLU A 97 -30.152 9.414 -14.820 1.00 0.00 C ATOM 1500 CD GLU A 97 -30.389 8.019 -15.366 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -29.845 7.056 -14.787 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -31.118 7.891 -16.371 1.00 0.00 O ATOM 0 H GLU A 97 -26.424 10.625 -14.734 1.00 0.00 H new ATOM 0 HA GLU A 97 -28.916 11.772 -14.896 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -28.076 9.350 -15.335 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -28.404 9.063 -13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -30.752 9.555 -13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -30.494 10.149 -15.549 1.00 0.00 H new ATOM 1509 N LYS A 98 -30.170 11.534 -12.597 1.00 0.00 N ATOM 1510 CA LYS A 98 -30.754 11.852 -11.299 1.00 0.00 C ATOM 1511 C LYS A 98 -31.988 10.997 -11.033 1.00 0.00 C ATOM 1512 O LYS A 98 -32.842 10.832 -11.905 1.00 0.00 O ATOM 1513 CB LYS A 98 -31.124 13.336 -11.233 1.00 0.00 C ATOM 1514 CG LYS A 98 -31.192 13.883 -9.818 1.00 0.00 C ATOM 1515 CD LYS A 98 -29.808 14.195 -9.273 1.00 0.00 C ATOM 1516 CE LYS A 98 -29.881 15.087 -8.043 1.00 0.00 C ATOM 1517 NZ LYS A 98 -30.117 16.512 -8.405 1.00 0.00 N ATOM 0 H LYS A 98 -30.853 11.357 -13.334 1.00 0.00 H new ATOM 0 HA LYS A 98 -30.011 11.634 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -30.392 13.910 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -32.089 13.483 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -31.801 14.787 -9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -31.684 13.158 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -29.298 13.266 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -29.214 14.685 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -30.682 14.741 -7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -28.952 15.005 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -30.160 17.087 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -29.340 16.851 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -31.016 16.595 -8.921 1.00 0.00 H new ATOM 1531 N LYS A 99 -32.078 10.456 -9.823 1.00 0.00 N ATOM 1532 CA LYS A 99 -33.210 9.620 -9.440 1.00 0.00 C ATOM 1533 C LYS A 99 -34.501 10.432 -9.409 1.00 0.00 C ATOM 1534 O LYS A 99 -34.759 11.169 -8.458 1.00 0.00 O ATOM 1535 CB LYS A 99 -32.961 8.986 -8.069 1.00 0.00 C ATOM 1536 CG LYS A 99 -32.789 10.000 -6.952 1.00 0.00 C ATOM 1537 CD LYS A 99 -31.955 9.438 -5.812 1.00 0.00 C ATOM 1538 CE LYS A 99 -31.435 10.542 -4.905 1.00 0.00 C ATOM 1539 NZ LYS A 99 -30.118 11.064 -5.366 1.00 0.00 N ATOM 0 H LYS A 99 -31.380 10.582 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 99 -33.316 8.831 -10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -33.795 8.328 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -32.068 8.363 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -32.312 10.898 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -33.768 10.298 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -32.556 8.740 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -31.116 8.873 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -32.158 11.357 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -31.339 10.162 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -29.797 11.815 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -29.421 10.292 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -30.215 11.450 -6.327 1.00 0.00 H new ATOM 1553 N GLY A 100 -35.309 10.291 -10.455 1.00 0.00 N ATOM 1554 CA GLY A 100 -36.563 11.017 -10.527 1.00 0.00 C ATOM 1555 C GLY A 100 -36.566 12.064 -11.623 1.00 0.00 C ATOM 1556 O GLY A 100 -36.611 13.263 -11.348 1.00 0.00 O ATOM 0 H GLY A 100 -35.117 9.687 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -37.377 10.313 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -36.756 11.499 -9.568 1.00 0.00 H new ATOM 1560 N LYS A 101 -36.515 11.611 -12.871 1.00 0.00 N ATOM 1561 CA LYS A 101 -36.511 12.516 -14.014 1.00 0.00 C ATOM 1562 C LYS A 101 -37.623 12.159 -14.995 1.00 0.00 C ATOM 1563 O LYS A 101 -37.434 11.334 -15.888 1.00 0.00 O ATOM 1564 CB LYS A 101 -35.156 12.469 -14.724 1.00 0.00 C ATOM 1565 CG LYS A 101 -34.074 13.271 -14.024 1.00 0.00 C ATOM 1566 CD LYS A 101 -34.221 14.759 -14.292 1.00 0.00 C ATOM 1567 CE LYS A 101 -33.088 15.554 -13.661 1.00 0.00 C ATOM 1568 NZ LYS A 101 -31.902 15.636 -14.558 1.00 0.00 N ATOM 0 H LYS A 101 -36.476 10.622 -13.117 1.00 0.00 H new ATOM 0 HA LYS A 101 -36.686 13.527 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -34.833 11.431 -14.804 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -35.275 12.845 -15.740 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -34.121 13.087 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -33.094 12.935 -14.362 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -34.236 14.936 -15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -35.175 15.108 -13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -33.437 16.560 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -32.799 15.089 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -31.152 16.185 -14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -31.554 14.677 -14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -32.171 16.102 -15.448 1.00 0.00 H new ATOM 1582 N GLU A 102 -38.783 12.787 -14.823 1.00 0.00 N ATOM 1583 CA GLU A 102 -39.924 12.534 -15.694 1.00 0.00 C ATOM 1584 C GLU A 102 -39.468 12.269 -17.126 1.00 0.00 C ATOM 1585 O GLU A 102 -39.843 11.266 -17.732 1.00 0.00 O ATOM 1586 CB GLU A 102 -40.888 13.722 -15.666 1.00 0.00 C ATOM 1587 CG GLU A 102 -41.639 13.867 -14.353 1.00 0.00 C ATOM 1588 CD GLU A 102 -42.281 15.231 -14.195 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -43.372 15.442 -14.765 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -41.693 16.087 -13.502 1.00 0.00 O ATOM 0 H GLU A 102 -38.956 13.474 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 102 -40.440 11.647 -15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -40.328 14.638 -15.858 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -41.609 13.613 -16.477 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -42.409 13.098 -14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -40.951 13.695 -13.525 1.00 0.00 H new ATOM 1597 N ALA A 103 -38.657 13.176 -17.659 1.00 0.00 N ATOM 1598 CA ALA A 103 -38.148 13.041 -19.019 1.00 0.00 C ATOM 1599 C ALA A 103 -37.019 14.032 -19.284 1.00 0.00 C ATOM 1600 O ALA A 103 -37.055 15.168 -18.813 1.00 0.00 O ATOM 1601 CB ALA A 103 -39.272 13.236 -20.025 1.00 0.00 C ATOM 0 H ALA A 103 -38.338 14.013 -17.170 1.00 0.00 H new ATOM 0 HA ALA A 103 -37.746 12.034 -19.132 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -38.878 13.133 -21.036 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -40.044 12.485 -19.858 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -39.701 14.231 -19.903 1.00 0.00 H new ATOM 1607 N SER A 104 -36.018 13.593 -20.040 1.00 0.00 N ATOM 1608 CA SER A 104 -34.877 14.440 -20.364 1.00 0.00 C ATOM 1609 C SER A 104 -34.684 14.538 -21.875 1.00 0.00 C ATOM 1610 O SER A 104 -33.881 13.811 -22.458 1.00 0.00 O ATOM 1611 CB SER A 104 -33.606 13.892 -19.711 1.00 0.00 C ATOM 1612 OG SER A 104 -32.647 14.918 -19.523 1.00 0.00 O ATOM 0 H SER A 104 -35.974 12.656 -20.440 1.00 0.00 H new ATOM 0 HA SER A 104 -35.076 15.439 -19.975 1.00 0.00 H new ATOM 0 HB2 SER A 104 -33.853 13.440 -18.750 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.183 13.104 -20.335 1.00 0.00 H new ATOM 0 HG SER A 104 -31.845 14.543 -19.103 1.00 0.00 H new ATOM 1618 N GLY A 105 -35.428 15.444 -22.502 1.00 0.00 N ATOM 1619 CA GLY A 105 -35.325 15.621 -23.939 1.00 0.00 C ATOM 1620 C GLY A 105 -34.811 16.996 -24.318 1.00 0.00 C ATOM 1621 O GLY A 105 -34.166 17.682 -23.525 1.00 0.00 O ATOM 0 H GLY A 105 -36.100 16.058 -22.041 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -34.659 14.862 -24.349 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -36.304 15.465 -24.392 1.00 0.00 H new ATOM 1625 N PRO A 106 -35.097 17.417 -25.559 1.00 0.00 N ATOM 1626 CA PRO A 106 -34.668 18.722 -26.071 1.00 0.00 C ATOM 1627 C PRO A 106 -35.405 19.878 -25.403 1.00 0.00 C ATOM 1628 O PRO A 106 -35.182 21.043 -25.733 1.00 0.00 O ATOM 1629 CB PRO A 106 -35.018 18.653 -27.559 1.00 0.00 C ATOM 1630 CG PRO A 106 -36.127 17.661 -27.641 1.00 0.00 C ATOM 1631 CD PRO A 106 -35.862 16.652 -26.558 1.00 0.00 C ATOM 0 HA PRO A 106 -33.612 18.908 -25.876 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -35.329 19.627 -27.938 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -34.160 18.338 -28.153 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -37.094 18.144 -27.496 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -36.152 17.184 -28.621 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -36.789 16.259 -26.140 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -35.295 15.800 -26.933 1.00 0.00 H new ATOM 1639 N SER A 107 -36.285 19.548 -24.463 1.00 0.00 N ATOM 1640 CA SER A 107 -37.058 20.559 -23.751 1.00 0.00 C ATOM 1641 C SER A 107 -36.214 21.803 -23.488 1.00 0.00 C ATOM 1642 O SER A 107 -34.992 21.723 -23.369 1.00 0.00 O ATOM 1643 CB SER A 107 -37.581 19.994 -22.429 1.00 0.00 C ATOM 1644 OG SER A 107 -38.843 19.374 -22.603 1.00 0.00 O ATOM 0 H SER A 107 -36.480 18.589 -24.177 1.00 0.00 H new ATOM 0 HA SER A 107 -37.904 20.842 -24.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 -36.869 19.271 -22.032 1.00 0.00 H new ATOM 0 HB3 SER A 107 -37.664 20.795 -21.695 1.00 0.00 H new ATOM 0 HG SER A 107 -39.155 19.020 -21.744 1.00 0.00 H new ATOM 1650 N SER A 108 -36.877 22.951 -23.397 1.00 0.00 N ATOM 1651 CA SER A 108 -36.189 24.213 -23.152 1.00 0.00 C ATOM 1652 C SER A 108 -35.095 24.040 -22.103 1.00 0.00 C ATOM 1653 O SER A 108 -33.952 24.448 -22.309 1.00 0.00 O ATOM 1654 CB SER A 108 -37.185 25.281 -22.695 1.00 0.00 C ATOM 1655 OG SER A 108 -37.895 24.857 -21.544 1.00 0.00 O ATOM 0 H SER A 108 -37.889 23.033 -23.489 1.00 0.00 H new ATOM 0 HA SER A 108 -35.726 24.534 -24.085 1.00 0.00 H new ATOM 0 HB2 SER A 108 -36.655 26.208 -22.478 1.00 0.00 H new ATOM 0 HB3 SER A 108 -37.887 25.496 -23.500 1.00 0.00 H new ATOM 0 HG SER A 108 -38.524 25.557 -21.271 1.00 0.00 H new ATOM 1661 N GLY A 109 -35.454 23.433 -20.976 1.00 0.00 N ATOM 1662 CA GLY A 109 -34.493 23.216 -19.911 1.00 0.00 C ATOM 1663 C GLY A 109 -34.349 21.751 -19.548 1.00 0.00 C ATOM 1664 O GLY A 109 -35.070 21.245 -18.689 1.00 0.00 O ATOM 0 H GLY A 109 -36.394 23.088 -20.782 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -33.523 23.608 -20.216 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -34.801 23.777 -19.029 1.00 0.00 H new TER 1668 GLY A 109