USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 32 TYR OH : rot 30:sc= 1.01 USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 58 THR OG1 : rot 151:sc= 0.992 USER MOD Set 2.2: A 60 TYR OH : rot 123:sc= -0.992 USER MOD Set 3.1: A 7 SER OG : rot -9:sc= 1.16 USER MOD Set 3.2: A 21 SER OG : rot -72:sc= 1.82 USER MOD Set 4.1: A 17 SER OG : rot -95:sc= -2.53 USER MOD Set 4.2: A 69 THR OG1 : rot 180:sc= 0.0225 USER MOD Set 4.3: A 82 GLN : amide:sc= -2.86 K(o=-9.4,f=-16!) USER MOD Set 4.4: A 84 ASN : amide:sc= -4 K(o=-9.4,f=-18!) USER MOD Single : A 3 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.038) USER MOD Single : A 5 GLN : amide:sc= -0.0198 K(o=-0.02,f=-0.64) USER MOD Single : A 13 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.12) USER MOD Single : A 34 MET CE :methyl -147:sc= -4.21! (180deg=-8.65!) USER MOD Single : A 39 GLN : amide:sc= -0.724 K(o=-0.72,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= -0.227 (180deg=-0.933) USER MOD Single : A 47 SER OG : rot 180:sc= -0.708 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.92 F(o=-3.2,f=-1.9) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 64:sc= 0.441 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00704 X(o=-0.007,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.0211) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 83 MET CE :methyl -157:sc= -8.25! (180deg=-9.22!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0.101 X(o=0.1,f=-0.026) USER MOD Single : A 111 THR OG1 : rot -110:sc= -0.368 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.679 F(o=-2.9,f=-0.68) USER MOD Single : A 114 THR OG1 : rot -160:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.179 10.971 0.188 1.00 0.00 N ATOM 37 CA GLN A 3 8.758 11.161 -0.081 1.00 0.00 C ATOM 38 C GLN A 3 8.214 10.044 -0.967 1.00 0.00 C ATOM 39 O GLN A 3 8.976 9.309 -1.595 1.00 0.00 O ATOM 40 CB GLN A 3 8.521 12.516 -0.748 1.00 0.00 C ATOM 41 CG GLN A 3 8.543 13.685 0.223 1.00 0.00 C ATOM 42 CD GLN A 3 7.256 13.810 1.014 1.00 0.00 C ATOM 43 OE1 GLN A 3 6.173 13.943 0.443 1.00 0.00 O ATOM 44 NE2 GLN A 3 7.367 13.768 2.337 1.00 0.00 N ATOM 0 HA GLN A 3 8.229 11.133 0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.283 12.674 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.558 12.497 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.379 13.564 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.717 14.608 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.284 13.656 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.535 13.847 2.921 1.00 0.00 H new ATOM 53 N LEU A 4 6.891 9.924 -1.012 1.00 0.00 N ATOM 54 CA LEU A 4 6.241 8.898 -1.820 1.00 0.00 C ATOM 55 C LEU A 4 4.960 9.434 -2.453 1.00 0.00 C ATOM 56 O LEU A 4 4.602 10.596 -2.260 1.00 0.00 O ATOM 57 CB LEU A 4 5.927 7.668 -0.965 1.00 0.00 C ATOM 58 CG LEU A 4 7.128 7.074 -0.220 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.009 7.322 1.277 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.250 5.583 -0.504 1.00 0.00 C ATOM 0 H LEU A 4 6.247 10.525 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 4 6.926 8.611 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.163 7.936 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.499 6.898 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 4 8.030 7.569 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.871 6.892 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.973 8.395 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.097 6.857 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.108 5.179 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.344 5.075 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.386 5.426 -1.574 1.00 0.00 H new ATOM 72 N GLN A 5 4.274 8.582 -3.208 1.00 0.00 N ATOM 73 CA GLN A 5 3.032 8.975 -3.867 1.00 0.00 C ATOM 74 C GLN A 5 2.311 7.759 -4.443 1.00 0.00 C ATOM 75 O GLN A 5 2.872 6.666 -4.503 1.00 0.00 O ATOM 76 CB GLN A 5 3.319 9.984 -4.980 1.00 0.00 C ATOM 77 CG GLN A 5 4.201 9.433 -6.089 1.00 0.00 C ATOM 78 CD GLN A 5 5.071 10.499 -6.726 1.00 0.00 C ATOM 79 OE1 GLN A 5 4.757 11.688 -6.672 1.00 0.00 O ATOM 80 NE2 GLN A 5 6.173 10.076 -7.336 1.00 0.00 N ATOM 0 H GLN A 5 4.556 7.617 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 5 2.386 9.438 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.374 10.316 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.799 10.862 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.836 8.644 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.573 8.976 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.394 9.081 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.798 10.747 -7.784 1.00 0.00 H new ATOM 89 N GLU A 6 1.066 7.959 -4.867 1.00 0.00 N ATOM 90 CA GLU A 6 0.267 6.878 -5.441 1.00 0.00 C ATOM 91 C GLU A 6 -0.165 7.223 -6.862 1.00 0.00 C ATOM 92 O GLU A 6 -0.113 8.383 -7.272 1.00 0.00 O ATOM 93 CB GLU A 6 -0.970 6.588 -4.576 1.00 0.00 C ATOM 94 CG GLU A 6 -1.149 7.540 -3.402 1.00 0.00 C ATOM 95 CD GLU A 6 -0.201 7.239 -2.259 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.438 6.249 -1.536 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.780 7.994 -2.087 1.00 0.00 O ATOM 0 H GLU A 6 0.588 8.859 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 6 0.890 5.984 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.859 6.635 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.902 5.569 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.990 8.564 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.176 7.479 -3.043 1.00 0.00 H new ATOM 104 N SER A 7 -0.592 6.211 -7.610 1.00 0.00 N ATOM 105 CA SER A 7 -1.034 6.413 -8.985 1.00 0.00 C ATOM 106 C SER A 7 -1.748 5.176 -9.519 1.00 0.00 C ATOM 107 O SER A 7 -1.210 4.070 -9.479 1.00 0.00 O ATOM 108 CB SER A 7 0.160 6.752 -9.880 1.00 0.00 C ATOM 109 OG SER A 7 0.865 5.581 -10.255 1.00 0.00 O ATOM 0 H SER A 7 -0.641 5.244 -7.288 1.00 0.00 H new ATOM 0 HA SER A 7 -1.737 7.246 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.187 7.273 -10.772 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.831 7.432 -9.355 1.00 0.00 H new ATOM 0 HG SER A 7 0.523 4.816 -9.747 1.00 0.00 H new ATOM 115 N GLY A 8 -2.964 5.371 -10.021 1.00 0.00 N ATOM 116 CA GLY A 8 -3.732 4.263 -10.559 1.00 0.00 C ATOM 117 C GLY A 8 -4.972 3.960 -9.741 1.00 0.00 C ATOM 118 O GLY A 8 -5.987 3.520 -10.282 1.00 0.00 O ATOM 0 H GLY A 8 -3.431 6.277 -10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.025 4.492 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.102 3.375 -10.599 1.00 0.00 H new ATOM 122 N GLY A 9 -4.892 4.193 -8.435 1.00 0.00 N ATOM 123 CA GLY A 9 -6.015 3.934 -7.564 1.00 0.00 C ATOM 124 C GLY A 9 -7.274 4.654 -8.001 1.00 0.00 C ATOM 125 O GLY A 9 -7.273 5.380 -8.995 1.00 0.00 O ATOM 0 H GLY A 9 -4.063 4.558 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.207 2.861 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.760 4.240 -6.549 1.00 0.00 H new ATOM 129 N GLY A 10 -8.348 4.445 -7.255 1.00 0.00 N ATOM 130 CA GLY A 10 -9.610 5.074 -7.571 1.00 0.00 C ATOM 131 C GLY A 10 -10.789 4.190 -7.224 1.00 0.00 C ATOM 132 O GLY A 10 -10.680 3.294 -6.387 1.00 0.00 O ATOM 0 H GLY A 10 -8.366 3.846 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.691 6.016 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.638 5.315 -8.634 1.00 0.00 H new ATOM 136 N LEU A 11 -11.916 4.450 -7.865 1.00 0.00 N ATOM 137 CA LEU A 11 -13.128 3.691 -7.627 1.00 0.00 C ATOM 138 C LEU A 11 -13.002 2.267 -8.158 1.00 0.00 C ATOM 139 O LEU A 11 -12.359 2.030 -9.180 1.00 0.00 O ATOM 140 CB LEU A 11 -14.314 4.391 -8.278 1.00 0.00 C ATOM 141 CG LEU A 11 -14.498 5.833 -7.821 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.323 6.796 -8.985 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.857 6.024 -7.163 1.00 0.00 C ATOM 0 H LEU A 11 -12.015 5.189 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.288 3.635 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.185 4.375 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.222 3.830 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.729 6.053 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.459 7.819 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.322 6.685 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.063 6.575 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.965 7.061 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.644 5.779 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.937 5.369 -6.296 1.00 0.00 H new ATOM 155 N VAL A 12 -13.621 1.324 -7.457 1.00 0.00 N ATOM 156 CA VAL A 12 -13.577 -0.077 -7.858 1.00 0.00 C ATOM 157 C VAL A 12 -14.878 -0.792 -7.506 1.00 0.00 C ATOM 158 O VAL A 12 -15.386 -0.666 -6.392 1.00 0.00 O ATOM 159 CB VAL A 12 -12.398 -0.812 -7.195 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.508 -0.747 -5.679 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.328 -2.256 -7.671 1.00 0.00 C ATOM 0 H VAL A 12 -14.159 1.504 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.442 -0.094 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.475 -0.313 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.665 -1.272 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.499 0.295 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.439 -1.217 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.488 -2.757 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.254 -2.770 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.192 -2.276 -8.752 1.00 0.00 H new ATOM 171 N GLN A 13 -15.411 -1.544 -8.464 1.00 0.00 N ATOM 172 CA GLN A 13 -16.643 -2.280 -8.265 1.00 0.00 C ATOM 173 C GLN A 13 -16.494 -3.314 -7.154 1.00 0.00 C ATOM 174 O GLN A 13 -15.552 -4.107 -7.152 1.00 0.00 O ATOM 175 CB GLN A 13 -17.043 -2.961 -9.564 1.00 0.00 C ATOM 176 CG GLN A 13 -16.916 -2.069 -10.790 1.00 0.00 C ATOM 177 CD GLN A 13 -18.242 -1.847 -11.490 1.00 0.00 C ATOM 178 OE1 GLN A 13 -18.570 -0.727 -11.884 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.015 -2.915 -11.649 1.00 0.00 N ATOM 0 H GLN A 13 -15.001 -1.656 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.421 -1.578 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.423 -3.846 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.074 -3.304 -9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.501 -1.106 -10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.211 -2.518 -11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.705 -3.825 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.919 -2.826 -12.113 1.00 0.00 H new ATOM 188 N ALA A 14 -17.431 -3.300 -6.211 1.00 0.00 N ATOM 189 CA ALA A 14 -17.409 -4.232 -5.092 1.00 0.00 C ATOM 190 C ALA A 14 -17.266 -5.674 -5.571 1.00 0.00 C ATOM 191 O ALA A 14 -18.022 -6.131 -6.429 1.00 0.00 O ATOM 192 CB ALA A 14 -18.670 -4.072 -4.254 1.00 0.00 C ATOM 0 H ALA A 14 -18.217 -2.650 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.540 -4.000 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.644 -4.773 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.725 -3.053 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.545 -4.275 -4.871 1.00 0.00 H new ATOM 198 N GLY A 15 -16.293 -6.386 -5.010 1.00 0.00 N ATOM 199 CA GLY A 15 -16.071 -7.768 -5.393 1.00 0.00 C ATOM 200 C GLY A 15 -15.093 -7.913 -6.545 1.00 0.00 C ATOM 201 O GLY A 15 -14.760 -9.029 -6.944 1.00 0.00 O ATOM 0 H GLY A 15 -15.655 -6.031 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.696 -8.322 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.023 -8.220 -5.672 1.00 0.00 H new ATOM 205 N GLY A 16 -14.629 -6.787 -7.081 1.00 0.00 N ATOM 206 CA GLY A 16 -13.689 -6.827 -8.186 1.00 0.00 C ATOM 207 C GLY A 16 -12.247 -6.782 -7.721 1.00 0.00 C ATOM 208 O GLY A 16 -11.907 -7.341 -6.678 1.00 0.00 O ATOM 0 H GLY A 16 -14.887 -5.850 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.853 -7.735 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.879 -5.985 -8.852 1.00 0.00 H new ATOM 212 N SER A 17 -11.398 -6.116 -8.496 1.00 0.00 N ATOM 213 CA SER A 17 -9.986 -6.001 -8.156 1.00 0.00 C ATOM 214 C SER A 17 -9.454 -4.614 -8.500 1.00 0.00 C ATOM 215 O SER A 17 -9.808 -4.038 -9.529 1.00 0.00 O ATOM 216 CB SER A 17 -9.170 -7.069 -8.888 1.00 0.00 C ATOM 217 OG SER A 17 -8.351 -7.794 -7.987 1.00 0.00 O ATOM 0 H SER A 17 -11.663 -5.648 -9.363 1.00 0.00 H new ATOM 0 HA SER A 17 -9.886 -6.153 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.842 -7.754 -9.404 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.549 -6.598 -9.650 1.00 0.00 H new ATOM 0 HG SER A 17 -7.452 -7.404 -7.975 1.00 0.00 H new ATOM 223 N LEU A 18 -8.598 -4.087 -7.633 1.00 0.00 N ATOM 224 CA LEU A 18 -8.010 -2.771 -7.839 1.00 0.00 C ATOM 225 C LEU A 18 -6.495 -2.833 -7.676 1.00 0.00 C ATOM 226 O LEU A 18 -5.986 -3.548 -6.815 1.00 0.00 O ATOM 227 CB LEU A 18 -8.604 -1.766 -6.853 1.00 0.00 C ATOM 228 CG LEU A 18 -8.049 -0.348 -6.970 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.882 0.473 -7.943 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.004 0.322 -5.606 1.00 0.00 C ATOM 0 H LEU A 18 -8.295 -4.553 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.238 -2.445 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.684 -1.731 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.430 -2.127 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.031 -0.408 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.472 1.480 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.861 0.003 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.911 0.525 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.606 1.331 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.011 0.370 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.363 -0.254 -4.939 1.00 0.00 H new ATOM 242 N ARG A 19 -5.777 -2.092 -8.512 1.00 0.00 N ATOM 243 CA ARG A 19 -4.320 -2.082 -8.455 1.00 0.00 C ATOM 244 C ARG A 19 -3.779 -0.673 -8.227 1.00 0.00 C ATOM 245 O ARG A 19 -4.169 0.272 -8.913 1.00 0.00 O ATOM 246 CB ARG A 19 -3.743 -2.655 -9.749 1.00 0.00 C ATOM 247 CG ARG A 19 -2.245 -2.901 -9.694 1.00 0.00 C ATOM 248 CD ARG A 19 -1.811 -3.927 -10.728 1.00 0.00 C ATOM 249 NE ARG A 19 -0.387 -4.237 -10.629 1.00 0.00 N ATOM 250 CZ ARG A 19 0.153 -4.934 -9.632 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.608 -5.393 -8.647 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.457 -5.173 -9.620 1.00 0.00 N ATOM 0 H ARG A 19 -6.177 -1.493 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.014 -2.702 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.248 -3.594 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.960 -1.969 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.715 -1.964 -9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.968 -3.247 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.391 -4.841 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.031 -3.550 -11.727 1.00 0.00 H new ATOM 0 HE ARG A 19 0.230 -3.899 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.612 -5.212 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.189 -5.927 -7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.047 -4.823 -10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.871 -5.707 -8.856 1.00 0.00 H new ATOM 266 N LEU A 20 -2.868 -0.545 -7.267 1.00 0.00 N ATOM 267 CA LEU A 20 -2.259 0.741 -6.954 1.00 0.00 C ATOM 268 C LEU A 20 -0.746 0.662 -7.114 1.00 0.00 C ATOM 269 O LEU A 20 -0.137 -0.373 -6.841 1.00 0.00 O ATOM 270 CB LEU A 20 -2.610 1.179 -5.530 1.00 0.00 C ATOM 271 CG LEU A 20 -4.010 0.788 -5.053 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.284 1.362 -3.669 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.060 1.260 -6.049 1.00 0.00 C ATOM 0 H LEU A 20 -2.535 -1.319 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.654 1.481 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.878 0.751 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.512 2.263 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.062 -0.299 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.284 1.073 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.550 0.975 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.214 2.449 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.051 0.974 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.008 2.344 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.874 0.800 -7.019 1.00 0.00 H new ATOM 285 N SER A 21 -0.150 1.759 -7.567 1.00 0.00 N ATOM 286 CA SER A 21 1.291 1.818 -7.776 1.00 0.00 C ATOM 287 C SER A 21 1.909 3.001 -7.039 1.00 0.00 C ATOM 288 O SER A 21 1.722 4.154 -7.430 1.00 0.00 O ATOM 289 CB SER A 21 1.598 1.924 -9.270 1.00 0.00 C ATOM 290 OG SER A 21 1.100 3.136 -9.808 1.00 0.00 O ATOM 0 H SER A 21 -0.644 2.621 -7.797 1.00 0.00 H new ATOM 0 HA SER A 21 1.727 0.902 -7.377 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.675 1.868 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.154 1.079 -9.797 1.00 0.00 H new ATOM 0 HG SER A 21 0.123 3.091 -9.867 1.00 0.00 H new ATOM 296 N CYS A 22 2.653 2.709 -5.978 1.00 0.00 N ATOM 297 CA CYS A 22 3.306 3.750 -5.196 1.00 0.00 C ATOM 298 C CYS A 22 4.783 3.844 -5.560 1.00 0.00 C ATOM 299 O CYS A 22 5.464 2.828 -5.695 1.00 0.00 O ATOM 300 CB CYS A 22 3.151 3.474 -3.700 1.00 0.00 C ATOM 301 SG CYS A 22 3.948 4.713 -2.627 1.00 0.00 S ATOM 0 H CYS A 22 2.818 1.761 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 22 2.827 4.701 -5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.089 3.429 -3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.570 2.493 -3.477 1.00 0.00 H new ATOM 306 N ALA A 23 5.273 5.068 -5.723 1.00 0.00 N ATOM 307 CA ALA A 23 6.669 5.290 -6.077 1.00 0.00 C ATOM 308 C ALA A 23 7.375 6.157 -5.041 1.00 0.00 C ATOM 309 O ALA A 23 6.766 7.034 -4.429 1.00 0.00 O ATOM 310 CB ALA A 23 6.767 5.927 -7.455 1.00 0.00 C ATOM 0 H ALA A 23 4.724 5.921 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 23 7.168 4.321 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.815 6.088 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.313 5.267 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.244 6.883 -7.452 1.00 0.00 H new ATOM 316 N ALA A 24 8.668 5.906 -4.855 1.00 0.00 N ATOM 317 CA ALA A 24 9.467 6.663 -3.899 1.00 0.00 C ATOM 318 C ALA A 24 10.642 7.343 -4.593 1.00 0.00 C ATOM 319 O ALA A 24 10.994 6.995 -5.720 1.00 0.00 O ATOM 320 CB ALA A 24 9.961 5.750 -2.786 1.00 0.00 C ATOM 0 H ALA A 24 9.185 5.183 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 24 8.837 7.438 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.556 6.328 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.107 5.312 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.574 4.956 -3.212 1.00 0.00 H new ATOM 414 N TYR A 32 14.621 0.631 5.304 1.00 0.00 N ATOM 415 CA TYR A 32 13.581 1.471 4.721 1.00 0.00 C ATOM 416 C TYR A 32 12.690 0.652 3.793 1.00 0.00 C ATOM 417 O TYR A 32 12.965 0.523 2.601 1.00 0.00 O ATOM 418 CB TYR A 32 14.218 2.629 3.950 1.00 0.00 C ATOM 419 CG TYR A 32 13.226 3.638 3.415 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.570 3.427 2.208 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.953 4.807 4.114 1.00 0.00 C ATOM 422 CE1 TYR A 32 11.671 4.353 1.714 1.00 0.00 C ATOM 423 CE2 TYR A 32 12.054 5.737 3.627 1.00 0.00 C ATOM 424 CZ TYR A 32 11.417 5.506 2.427 1.00 0.00 C ATOM 425 OH TYR A 32 10.522 6.431 1.938 1.00 0.00 O ATOM 0 HA TYR A 32 12.965 1.873 5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.924 3.142 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.792 2.224 3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.766 2.525 1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.452 4.992 5.054 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.170 4.175 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.852 6.640 4.184 1.00 0.00 H new ATOM 0 HH TYR A 32 9.838 5.974 1.405 1.00 0.00 H new ATOM 435 N ASP A 33 11.626 0.091 4.358 1.00 0.00 N ATOM 436 CA ASP A 33 10.691 -0.726 3.594 1.00 0.00 C ATOM 437 C ASP A 33 9.646 0.137 2.895 1.00 0.00 C ATOM 438 O ASP A 33 9.690 1.365 2.968 1.00 0.00 O ATOM 439 CB ASP A 33 10.002 -1.734 4.515 1.00 0.00 C ATOM 440 CG ASP A 33 10.987 -2.674 5.183 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.023 -2.989 4.560 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.724 -3.093 6.329 1.00 0.00 O ATOM 0 H ASP A 33 11.390 0.188 5.345 1.00 0.00 H new ATOM 0 HA ASP A 33 11.256 -1.260 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.440 -1.198 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.282 -2.316 3.939 1.00 0.00 H new ATOM 447 N MET A 34 8.705 -0.516 2.222 1.00 0.00 N ATOM 448 CA MET A 34 7.644 0.183 1.511 1.00 0.00 C ATOM 449 C MET A 34 6.324 -0.564 1.662 1.00 0.00 C ATOM 450 O MET A 34 6.199 -1.712 1.235 1.00 0.00 O ATOM 451 CB MET A 34 8.002 0.323 0.030 1.00 0.00 C ATOM 452 CG MET A 34 8.632 1.662 -0.324 1.00 0.00 C ATOM 453 SD MET A 34 9.905 1.513 -1.593 1.00 0.00 S ATOM 454 CE MET A 34 10.735 3.092 -1.430 1.00 0.00 C ATOM 0 H MET A 34 8.657 -1.533 2.155 1.00 0.00 H new ATOM 0 HA MET A 34 7.535 1.178 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.690 -0.476 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.100 0.187 -0.567 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.856 2.344 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.067 2.103 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.096 3.416 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.037 3.831 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.578 2.991 -0.746 1.00 0.00 H new ATOM 464 N GLY A 35 5.342 0.085 2.279 1.00 0.00 N ATOM 465 CA GLY A 35 4.054 -0.550 2.476 1.00 0.00 C ATOM 466 C GLY A 35 2.890 0.400 2.288 1.00 0.00 C ATOM 467 O GLY A 35 3.075 1.613 2.210 1.00 0.00 O ATOM 0 H GLY A 35 5.415 1.035 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.954 -1.381 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.013 -0.972 3.480 1.00 0.00 H new ATOM 471 N TRP A 36 1.688 -0.160 2.212 1.00 0.00 N ATOM 472 CA TRP A 36 0.485 0.627 2.029 1.00 0.00 C ATOM 473 C TRP A 36 -0.282 0.767 3.332 1.00 0.00 C ATOM 474 O TRP A 36 -0.118 -0.031 4.257 1.00 0.00 O ATOM 475 CB TRP A 36 -0.402 -0.024 0.979 1.00 0.00 C ATOM 476 CG TRP A 36 0.107 0.134 -0.421 1.00 0.00 C ATOM 477 CD1 TRP A 36 1.019 -0.661 -1.054 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.267 1.146 -1.363 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.237 -0.204 -2.331 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.459 0.904 -2.545 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.144 2.234 -1.323 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.333 1.709 -3.675 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.268 3.032 -2.445 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.533 2.766 -3.607 1.00 0.00 C ATOM 0 H TRP A 36 1.526 -1.165 2.275 1.00 0.00 H new ATOM 0 HA TRP A 36 0.778 1.623 1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.497 -1.086 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.402 0.406 1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.499 -1.523 -0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.874 -0.621 -3.009 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.715 2.447 -0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.899 1.506 -4.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.943 3.875 -2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.652 3.408 -4.467 1.00 0.00 H new ATOM 495 N PHE A 37 -1.122 1.787 3.395 1.00 0.00 N ATOM 496 CA PHE A 37 -1.922 2.050 4.569 1.00 0.00 C ATOM 497 C PHE A 37 -3.357 2.359 4.169 1.00 0.00 C ATOM 498 O PHE A 37 -3.687 2.395 2.983 1.00 0.00 O ATOM 499 CB PHE A 37 -1.338 3.232 5.335 1.00 0.00 C ATOM 500 CG PHE A 37 -0.312 2.851 6.361 1.00 0.00 C ATOM 501 CD1 PHE A 37 1.012 2.669 5.998 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.669 2.682 7.689 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.962 2.325 6.941 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.277 2.337 8.637 1.00 0.00 C ATOM 505 CZ PHE A 37 1.594 2.158 8.262 1.00 0.00 C ATOM 0 H PHE A 37 -1.265 2.451 2.634 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.915 1.165 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.886 3.924 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.149 3.767 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.305 2.797 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.698 2.821 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.992 2.187 6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.014 2.208 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.335 1.888 9.000 1.00 0.00 H new ATOM 515 N ARG A 38 -4.205 2.589 5.159 1.00 0.00 N ATOM 516 CA ARG A 38 -5.602 2.903 4.901 1.00 0.00 C ATOM 517 C ARG A 38 -6.159 3.831 5.975 1.00 0.00 C ATOM 518 O ARG A 38 -5.658 3.867 7.099 1.00 0.00 O ATOM 519 CB ARG A 38 -6.425 1.619 4.834 1.00 0.00 C ATOM 520 CG ARG A 38 -6.147 0.661 5.979 1.00 0.00 C ATOM 521 CD ARG A 38 -7.182 -0.449 6.043 1.00 0.00 C ATOM 522 NE ARG A 38 -8.467 0.029 6.550 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.407 -0.767 7.056 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.212 -2.079 7.119 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.545 -0.250 7.499 1.00 0.00 N ATOM 0 H ARG A 38 -3.951 2.564 6.147 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.666 3.416 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.484 1.875 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.220 1.114 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.154 0.227 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.143 1.210 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.320 -0.874 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.815 -1.251 6.684 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.655 1.031 6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.339 -2.482 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.935 -2.684 7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.700 0.757 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.265 -0.859 7.887 1.00 0.00 H new ATOM 539 N GLN A 39 -7.197 4.584 5.621 1.00 0.00 N ATOM 540 CA GLN A 39 -7.817 5.515 6.556 1.00 0.00 C ATOM 541 C GLN A 39 -9.322 5.612 6.319 1.00 0.00 C ATOM 542 O GLN A 39 -9.767 6.154 5.308 1.00 0.00 O ATOM 543 CB GLN A 39 -7.177 6.900 6.424 1.00 0.00 C ATOM 544 CG GLN A 39 -6.424 7.343 7.668 1.00 0.00 C ATOM 545 CD GLN A 39 -7.291 8.141 8.621 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.364 8.618 8.251 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.829 8.291 9.857 1.00 0.00 N ATOM 0 H GLN A 39 -7.625 4.567 4.695 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.654 5.138 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.491 6.895 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.954 7.631 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.035 6.465 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.565 7.946 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.934 7.878 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.369 8.819 10.543 1.00 0.00 H new ATOM 556 N ALA A 40 -10.099 5.092 7.264 1.00 0.00 N ATOM 557 CA ALA A 40 -11.553 5.128 7.162 1.00 0.00 C ATOM 558 C ALA A 40 -12.106 6.403 7.791 1.00 0.00 C ATOM 559 O ALA A 40 -11.486 6.980 8.685 1.00 0.00 O ATOM 560 CB ALA A 40 -12.160 3.901 7.827 1.00 0.00 C ATOM 0 H ALA A 40 -9.746 4.641 8.108 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.824 5.122 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.246 3.941 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.791 3.001 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.878 3.881 8.880 1.00 0.00 H new ATOM 566 N PRO A 41 -13.280 6.867 7.331 1.00 0.00 N ATOM 567 CA PRO A 41 -13.902 8.085 7.858 1.00 0.00 C ATOM 568 C PRO A 41 -14.361 7.926 9.296 1.00 0.00 C ATOM 569 O PRO A 41 -14.923 6.898 9.673 1.00 0.00 O ATOM 570 CB PRO A 41 -15.093 8.318 6.927 1.00 0.00 C ATOM 571 CG PRO A 41 -15.403 6.973 6.363 1.00 0.00 C ATOM 572 CD PRO A 41 -14.088 6.250 6.265 1.00 0.00 C ATOM 0 HA PRO A 41 -13.202 8.920 7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.946 8.726 7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.846 9.030 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -16.099 6.432 7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.874 7.060 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.206 5.178 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.629 6.382 5.285 1.00 0.00 H new ATOM 580 N GLY A 42 -14.088 8.946 10.101 1.00 0.00 N ATOM 581 CA GLY A 42 -14.451 8.898 11.500 1.00 0.00 C ATOM 582 C GLY A 42 -13.570 7.937 12.274 1.00 0.00 C ATOM 583 O GLY A 42 -13.725 7.778 13.485 1.00 0.00 O ATOM 0 H GLY A 42 -13.622 9.804 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.369 9.895 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.493 8.594 11.596 1.00 0.00 H new ATOM 587 N LYS A 43 -12.646 7.283 11.568 1.00 0.00 N ATOM 588 CA LYS A 43 -11.747 6.326 12.182 1.00 0.00 C ATOM 589 C LYS A 43 -10.298 6.789 12.075 1.00 0.00 C ATOM 590 O LYS A 43 -10.013 7.852 11.524 1.00 0.00 O ATOM 591 CB LYS A 43 -11.914 4.981 11.488 1.00 0.00 C ATOM 592 CG LYS A 43 -11.658 3.784 12.391 1.00 0.00 C ATOM 593 CD LYS A 43 -12.889 2.898 12.506 1.00 0.00 C ATOM 594 CE LYS A 43 -12.821 2.007 13.736 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.645 2.798 14.986 1.00 0.00 N ATOM 0 H LYS A 43 -12.507 7.405 10.565 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.993 6.236 13.240 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.926 4.913 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.233 4.935 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.825 3.202 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.364 4.131 13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.783 3.520 12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.979 2.280 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.734 1.415 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.993 1.305 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.242 2.397 15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.648 2.764 15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.922 3.786 14.814 1.00 0.00 H new ATOM 609 N GLU A 44 -9.385 5.976 12.596 1.00 0.00 N ATOM 610 CA GLU A 44 -7.964 6.292 12.551 1.00 0.00 C ATOM 611 C GLU A 44 -7.301 5.597 11.367 1.00 0.00 C ATOM 612 O GLU A 44 -7.981 5.015 10.521 1.00 0.00 O ATOM 613 CB GLU A 44 -7.283 5.871 13.855 1.00 0.00 C ATOM 614 CG GLU A 44 -8.000 6.363 15.102 1.00 0.00 C ATOM 615 CD GLU A 44 -9.224 5.533 15.436 1.00 0.00 C ATOM 616 OE1 GLU A 44 -9.062 4.454 16.045 1.00 0.00 O ATOM 617 OE2 GLU A 44 -10.345 5.961 15.089 1.00 0.00 O ATOM 0 H GLU A 44 -9.605 5.092 13.055 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.855 7.370 12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.220 4.783 13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.261 6.250 13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.310 6.342 15.946 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.298 7.402 14.960 1.00 0.00 H new ATOM 624 N ARG A 45 -5.976 5.659 11.306 1.00 0.00 N ATOM 625 CA ARG A 45 -5.240 5.030 10.215 1.00 0.00 C ATOM 626 C ARG A 45 -4.728 3.653 10.614 1.00 0.00 C ATOM 627 O ARG A 45 -4.518 3.364 11.792 1.00 0.00 O ATOM 628 CB ARG A 45 -4.069 5.909 9.770 1.00 0.00 C ATOM 629 CG ARG A 45 -3.146 5.241 8.759 1.00 0.00 C ATOM 630 CD ARG A 45 -2.362 6.264 7.951 1.00 0.00 C ATOM 631 NE ARG A 45 -1.718 7.262 8.802 1.00 0.00 N ATOM 632 CZ ARG A 45 -1.300 8.449 8.367 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.459 8.791 7.095 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.721 9.296 9.208 1.00 0.00 N ATOM 0 H ARG A 45 -5.392 6.135 11.994 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.932 4.913 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.462 6.829 9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.487 6.193 10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.453 4.580 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.734 4.618 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.605 5.752 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.032 6.763 7.252 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.581 7.036 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.904 8.143 6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.137 9.702 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.596 9.038 10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.400 10.206 8.876 1.00 0.00 H new ATOM 648 N GLU A 46 -4.531 2.814 9.610 1.00 0.00 N ATOM 649 CA GLU A 46 -4.041 1.460 9.811 1.00 0.00 C ATOM 650 C GLU A 46 -3.396 0.936 8.530 1.00 0.00 C ATOM 651 O GLU A 46 -3.898 1.174 7.432 1.00 0.00 O ATOM 652 CB GLU A 46 -5.190 0.553 10.252 1.00 0.00 C ATOM 653 CG GLU A 46 -6.122 0.130 9.125 1.00 0.00 C ATOM 654 CD GLU A 46 -7.107 -0.940 9.555 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.886 -0.685 10.497 1.00 0.00 O ATOM 656 OE2 GLU A 46 -7.098 -2.032 8.949 1.00 0.00 O ATOM 0 H GLU A 46 -4.706 3.052 8.634 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.283 1.466 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.774 -0.340 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.773 1.069 11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.671 1.001 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.530 -0.241 8.288 1.00 0.00 H new ATOM 663 N SER A 47 -2.277 0.235 8.672 1.00 0.00 N ATOM 664 CA SER A 47 -1.569 -0.302 7.529 1.00 0.00 C ATOM 665 C SER A 47 -2.364 -1.404 6.851 1.00 0.00 C ATOM 666 O SER A 47 -3.397 -1.852 7.350 1.00 0.00 O ATOM 667 CB SER A 47 -0.201 -0.828 7.961 1.00 0.00 C ATOM 668 OG SER A 47 0.250 -1.871 7.112 1.00 0.00 O ATOM 0 H SER A 47 -1.844 0.028 9.572 1.00 0.00 H new ATOM 0 HA SER A 47 -1.434 0.504 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.522 -0.013 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.258 -1.192 8.987 1.00 0.00 H new ATOM 0 HG SER A 47 1.128 -2.183 7.415 1.00 0.00 H new ATOM 674 N VAL A 48 -1.861 -1.828 5.707 1.00 0.00 N ATOM 675 CA VAL A 48 -2.496 -2.882 4.923 1.00 0.00 C ATOM 676 C VAL A 48 -1.491 -3.962 4.533 1.00 0.00 C ATOM 677 O VAL A 48 -1.571 -5.096 5.005 1.00 0.00 O ATOM 678 CB VAL A 48 -3.153 -2.327 3.646 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.178 -3.310 3.103 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.792 -0.968 3.903 1.00 0.00 C ATOM 0 H VAL A 48 -1.006 -1.457 5.293 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.269 -3.316 5.557 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.373 -2.192 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.632 -2.901 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.687 -4.254 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.951 -3.481 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.248 -0.601 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.557 -1.065 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.029 -0.264 4.236 1.00 0.00 H new ATOM 690 N ALA A 49 -0.545 -3.604 3.669 1.00 0.00 N ATOM 691 CA ALA A 49 0.475 -4.546 3.217 1.00 0.00 C ATOM 692 C ALA A 49 1.814 -3.850 3.021 1.00 0.00 C ATOM 693 O ALA A 49 1.914 -2.873 2.281 1.00 0.00 O ATOM 694 CB ALA A 49 0.036 -5.224 1.928 1.00 0.00 C ATOM 0 H ALA A 49 -0.463 -2.670 3.268 1.00 0.00 H new ATOM 0 HA ALA A 49 0.599 -5.306 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.807 -5.923 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.895 -5.764 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.119 -4.471 1.155 1.00 0.00 H new ATOM 700 N ALA A 50 2.841 -4.359 3.690 1.00 0.00 N ATOM 701 CA ALA A 50 4.174 -3.780 3.592 1.00 0.00 C ATOM 702 C ALA A 50 5.182 -4.795 3.069 1.00 0.00 C ATOM 703 O ALA A 50 5.068 -5.988 3.331 1.00 0.00 O ATOM 704 CB ALA A 50 4.606 -3.247 4.947 1.00 0.00 C ATOM 0 H ALA A 50 2.776 -5.170 4.305 1.00 0.00 H new ATOM 0 HA ALA A 50 4.138 -2.956 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.604 -2.815 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.905 -2.481 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.620 -4.062 5.671 1.00 0.00 H new ATOM 710 N ILE A 51 6.172 -4.314 2.326 1.00 0.00 N ATOM 711 CA ILE A 51 7.193 -5.189 1.769 1.00 0.00 C ATOM 712 C ILE A 51 8.592 -4.701 2.122 1.00 0.00 C ATOM 713 O ILE A 51 8.860 -3.499 2.129 1.00 0.00 O ATOM 714 CB ILE A 51 7.062 -5.295 0.237 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.070 -6.304 -0.323 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.244 -3.929 -0.414 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.422 -7.482 -1.017 1.00 0.00 C ATOM 0 H ILE A 51 6.288 -3.327 2.097 1.00 0.00 H new ATOM 0 HA ILE A 51 7.040 -6.175 2.208 1.00 0.00 H new ATOM 0 HB ILE A 51 6.059 -5.652 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.729 -5.795 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.695 -6.671 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.148 -4.026 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.482 -3.244 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.232 -3.539 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.194 -8.155 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.785 -8.015 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.819 -7.126 -1.852 1.00 0.00 H new ATOM 729 N ASN A 52 9.479 -5.644 2.411 1.00 0.00 N ATOM 730 CA ASN A 52 10.855 -5.316 2.764 1.00 0.00 C ATOM 731 C ASN A 52 11.732 -5.251 1.519 1.00 0.00 C ATOM 732 O ASN A 52 11.229 -5.167 0.398 1.00 0.00 O ATOM 733 CB ASN A 52 11.411 -6.341 3.746 1.00 0.00 C ATOM 734 CG ASN A 52 12.297 -5.712 4.804 1.00 0.00 C ATOM 735 OD1 ASN A 52 11.728 -5.457 5.977 1.00 0.00 O flip ATOM 736 ND2 ASN A 52 13.479 -5.459 4.571 1.00 0.00 N flip ATOM 0 H ASN A 52 9.271 -6.643 2.408 1.00 0.00 H new ATOM 0 HA ASN A 52 10.859 -4.335 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.584 -6.860 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.981 -7.091 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.875 -5.672 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.062 -5.037 5.293 1.00 0.00 H new ATOM 800 N ARG A 57 10.058 -11.009 2.095 1.00 0.00 N ATOM 801 CA ARG A 57 8.647 -11.297 2.330 1.00 0.00 C ATOM 802 C ARG A 57 7.856 -10.013 2.566 1.00 0.00 C ATOM 803 O ARG A 57 8.434 -8.945 2.768 1.00 0.00 O ATOM 804 CB ARG A 57 8.493 -12.234 3.531 1.00 0.00 C ATOM 805 CG ARG A 57 7.402 -13.278 3.359 1.00 0.00 C ATOM 806 CD ARG A 57 7.750 -14.278 2.268 1.00 0.00 C ATOM 807 NE ARG A 57 6.680 -15.249 2.055 1.00 0.00 N ATOM 808 CZ ARG A 57 6.546 -15.975 0.946 1.00 0.00 C ATOM 809 NH1 ARG A 57 7.417 -15.850 -0.047 1.00 0.00 N ATOM 810 NH2 ARG A 57 5.540 -16.831 0.833 1.00 0.00 N ATOM 0 HA ARG A 57 8.249 -11.785 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.442 -12.740 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.277 -11.639 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.250 -13.805 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.461 -12.785 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.947 -13.746 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.667 -14.802 2.536 1.00 0.00 H new ATOM 0 HE ARG A 57 5.995 -15.379 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.195 -15.195 0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.309 -16.409 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.869 -16.933 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.437 -17.387 -0.016 1.00 0.00 H new ATOM 824 N THR A 58 6.532 -10.127 2.538 1.00 0.00 N ATOM 825 CA THR A 58 5.660 -8.977 2.748 1.00 0.00 C ATOM 826 C THR A 58 4.980 -9.048 4.113 1.00 0.00 C ATOM 827 O THR A 58 5.212 -9.977 4.887 1.00 0.00 O ATOM 828 CB THR A 58 4.606 -8.900 1.641 1.00 0.00 C ATOM 829 OG1 THR A 58 4.900 -9.815 0.600 1.00 0.00 O ATOM 830 CG2 THR A 58 4.489 -7.524 1.022 1.00 0.00 C ATOM 0 H THR A 58 6.039 -11.005 2.372 1.00 0.00 H new ATOM 0 HA THR A 58 6.275 -8.077 2.717 1.00 0.00 H new ATOM 0 HB THR A 58 3.661 -9.146 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.066 -10.104 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.725 -7.538 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.212 -6.802 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.446 -7.239 0.585 1.00 0.00 H new ATOM 838 N TYR A 59 4.145 -8.056 4.400 1.00 0.00 N ATOM 839 CA TYR A 59 3.432 -7.991 5.667 1.00 0.00 C ATOM 840 C TYR A 59 1.992 -7.535 5.453 1.00 0.00 C ATOM 841 O TYR A 59 1.691 -6.344 5.544 1.00 0.00 O ATOM 842 CB TYR A 59 4.148 -7.031 6.618 1.00 0.00 C ATOM 843 CG TYR A 59 3.368 -6.721 7.877 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.779 -7.735 8.622 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.213 -5.411 8.314 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.060 -7.452 9.768 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.497 -5.121 9.459 1.00 0.00 C ATOM 848 CZ TYR A 59 1.921 -6.144 10.181 1.00 0.00 C ATOM 849 OH TYR A 59 1.206 -5.859 11.322 1.00 0.00 O ATOM 0 H TYR A 59 3.945 -7.282 3.767 1.00 0.00 H new ATOM 0 HA TYR A 59 3.416 -8.988 6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.111 -7.460 6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.354 -6.099 6.091 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.885 -8.761 8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.660 -4.606 7.749 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.609 -8.252 10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.389 -4.098 9.787 1.00 0.00 H new ATOM 0 HH TYR A 59 1.205 -4.891 11.474 1.00 0.00 H new ATOM 859 N TYR A 60 1.109 -8.486 5.168 1.00 0.00 N ATOM 860 CA TYR A 60 -0.293 -8.186 4.942 1.00 0.00 C ATOM 861 C TYR A 60 -1.064 -8.170 6.257 1.00 0.00 C ATOM 862 O TYR A 60 -0.794 -8.968 7.155 1.00 0.00 O ATOM 863 CB TYR A 60 -0.899 -9.225 4.003 1.00 0.00 C ATOM 864 CG TYR A 60 -0.029 -9.560 2.813 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.991 -10.497 2.915 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.231 -8.941 1.586 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.787 -10.807 1.829 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.560 -9.245 0.495 1.00 0.00 C ATOM 869 CZ TYR A 60 1.567 -10.178 0.622 1.00 0.00 C ATOM 870 OH TYR A 60 2.357 -10.484 -0.463 1.00 0.00 O ATOM 0 H TYR A 60 1.345 -9.475 5.089 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.364 -7.198 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.095 -10.138 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.861 -8.859 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.165 -10.992 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.019 -8.210 1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.577 -11.538 1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.390 -8.755 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 60 1.792 -10.790 -1.203 1.00 0.00 H new ATOM 880 N ALA A 61 -2.031 -7.266 6.362 1.00 0.00 N ATOM 881 CA ALA A 61 -2.846 -7.161 7.566 1.00 0.00 C ATOM 882 C ALA A 61 -3.792 -8.349 7.673 1.00 0.00 C ATOM 883 O ALA A 61 -3.995 -9.077 6.701 1.00 0.00 O ATOM 884 CB ALA A 61 -3.627 -5.856 7.566 1.00 0.00 C ATOM 0 H ALA A 61 -2.269 -6.597 5.630 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.185 -7.168 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.230 -5.793 8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.933 -5.016 7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.279 -5.822 6.693 1.00 0.00 H new ATOM 890 N SER A 62 -4.371 -8.547 8.853 1.00 0.00 N ATOM 891 CA SER A 62 -5.290 -9.656 9.070 1.00 0.00 C ATOM 892 C SER A 62 -6.696 -9.326 8.584 1.00 0.00 C ATOM 893 O SER A 62 -7.687 -9.786 9.151 1.00 0.00 O ATOM 894 CB SER A 62 -5.321 -10.044 10.549 1.00 0.00 C ATOM 895 OG SER A 62 -6.190 -9.198 11.281 1.00 0.00 O ATOM 0 H SER A 62 -4.220 -7.956 9.670 1.00 0.00 H new ATOM 0 HA SER A 62 -4.926 -10.502 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.647 -11.079 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.315 -9.984 10.965 1.00 0.00 H new ATOM 0 HG SER A 62 -7.109 -9.319 10.963 1.00 0.00 H new ATOM 901 N SER A 63 -6.770 -8.544 7.519 1.00 0.00 N ATOM 902 CA SER A 63 -8.042 -8.161 6.926 1.00 0.00 C ATOM 903 C SER A 63 -8.122 -8.661 5.487 1.00 0.00 C ATOM 904 O SER A 63 -9.208 -8.810 4.928 1.00 0.00 O ATOM 905 CB SER A 63 -8.214 -6.642 6.964 1.00 0.00 C ATOM 906 OG SER A 63 -7.498 -6.020 5.911 1.00 0.00 O ATOM 0 H SER A 63 -5.955 -8.158 7.043 1.00 0.00 H new ATOM 0 HA SER A 63 -8.846 -8.617 7.505 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.272 -6.391 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.865 -6.257 7.922 1.00 0.00 H new ATOM 0 HG SER A 63 -7.626 -5.049 5.957 1.00 0.00 H new ATOM 912 N VAL A 64 -6.957 -8.922 4.894 1.00 0.00 N ATOM 913 CA VAL A 64 -6.881 -9.408 3.525 1.00 0.00 C ATOM 914 C VAL A 64 -5.671 -10.321 3.334 1.00 0.00 C ATOM 915 O VAL A 64 -5.222 -10.537 2.209 1.00 0.00 O ATOM 916 CB VAL A 64 -6.783 -8.243 2.525 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.086 -7.459 2.483 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.615 -7.336 2.887 1.00 0.00 C ATOM 0 H VAL A 64 -6.051 -8.803 5.347 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.796 -9.970 3.336 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.606 -8.652 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.995 -6.640 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.898 -8.119 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.300 -7.056 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.556 -6.515 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.764 -6.934 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.688 -7.908 2.859 1.00 0.00 H new ATOM 928 N ARG A 65 -5.145 -10.851 4.440 1.00 0.00 N ATOM 929 CA ARG A 65 -3.993 -11.731 4.397 1.00 0.00 C ATOM 930 C ARG A 65 -4.307 -12.993 3.616 1.00 0.00 C ATOM 931 O ARG A 65 -4.585 -14.050 4.182 1.00 0.00 O ATOM 932 CB ARG A 65 -3.553 -12.081 5.814 1.00 0.00 C ATOM 933 CG ARG A 65 -2.067 -12.354 5.939 1.00 0.00 C ATOM 934 CD ARG A 65 -1.782 -13.435 6.969 1.00 0.00 C ATOM 935 NE ARG A 65 -0.349 -13.601 7.206 1.00 0.00 N ATOM 936 CZ ARG A 65 0.374 -12.790 7.973 1.00 0.00 C ATOM 937 NH1 ARG A 65 -0.196 -11.757 8.580 1.00 0.00 N ATOM 938 NH2 ARG A 65 1.671 -13.012 8.133 1.00 0.00 N ATOM 0 H ARG A 65 -5.507 -10.680 5.378 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.180 -11.212 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.821 -11.262 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.105 -12.959 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.670 -12.659 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.550 -11.437 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.278 -13.182 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.205 -14.380 6.629 1.00 0.00 H new ATOM 0 HE ARG A 65 0.124 -14.385 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.194 -11.582 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.363 -11.138 9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.114 -13.804 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.226 -12.390 8.721 1.00 0.00 H new ATOM 952 N GLY A 66 -4.266 -12.853 2.308 1.00 0.00 N ATOM 953 CA GLY A 66 -4.549 -13.957 1.419 1.00 0.00 C ATOM 954 C GLY A 66 -5.484 -13.560 0.293 1.00 0.00 C ATOM 955 O GLY A 66 -5.876 -14.396 -0.521 1.00 0.00 O ATOM 0 H GLY A 66 -4.038 -11.979 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.616 -14.332 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.993 -14.774 1.987 1.00 0.00 H new ATOM 959 N ARG A 67 -5.845 -12.278 0.247 1.00 0.00 N ATOM 960 CA ARG A 67 -6.742 -11.774 -0.787 1.00 0.00 C ATOM 961 C ARG A 67 -6.060 -10.701 -1.629 1.00 0.00 C ATOM 962 O ARG A 67 -6.032 -10.786 -2.857 1.00 0.00 O ATOM 963 CB ARG A 67 -8.016 -11.208 -0.153 1.00 0.00 C ATOM 964 CG ARG A 67 -8.557 -12.055 0.988 1.00 0.00 C ATOM 965 CD ARG A 67 -10.048 -11.838 1.185 1.00 0.00 C ATOM 966 NE ARG A 67 -10.351 -10.474 1.613 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.487 -10.119 2.209 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.429 -11.021 2.449 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.682 -8.856 2.565 1.00 0.00 N ATOM 0 H ARG A 67 -5.530 -11.573 0.913 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.005 -12.606 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.812 -10.203 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.784 -11.115 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.366 -13.108 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.028 -11.808 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.571 -12.050 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.422 -12.543 1.928 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.651 -9.752 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.285 -11.993 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.297 -10.742 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.962 -8.157 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.552 -8.583 3.022 1.00 0.00 H new ATOM 983 N PHE A 68 -5.512 -9.689 -0.963 1.00 0.00 N ATOM 984 CA PHE A 68 -4.832 -8.598 -1.653 1.00 0.00 C ATOM 985 C PHE A 68 -3.457 -9.041 -2.149 1.00 0.00 C ATOM 986 O PHE A 68 -2.824 -9.914 -1.556 1.00 0.00 O ATOM 987 CB PHE A 68 -4.687 -7.390 -0.721 1.00 0.00 C ATOM 988 CG PHE A 68 -5.963 -6.614 -0.511 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.201 -7.184 -0.774 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.919 -5.309 -0.043 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.367 -6.467 -0.575 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.082 -4.589 0.158 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.307 -5.169 -0.108 1.00 0.00 C ATOM 0 H PHE A 68 -5.526 -9.602 0.053 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.435 -8.313 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.321 -7.734 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.930 -6.720 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.254 -8.199 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.964 -4.850 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.324 -6.922 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.033 -3.574 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.216 -4.608 0.049 1.00 0.00 H new ATOM 1003 N THR A 69 -3.001 -8.433 -3.242 1.00 0.00 N ATOM 1004 CA THR A 69 -1.701 -8.765 -3.819 1.00 0.00 C ATOM 1005 C THR A 69 -0.736 -7.595 -3.697 1.00 0.00 C ATOM 1006 O THR A 69 -1.149 -6.446 -3.543 1.00 0.00 O ATOM 1007 CB THR A 69 -1.856 -9.168 -5.286 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.813 -10.203 -5.424 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.565 -9.649 -5.914 1.00 0.00 C ATOM 0 H THR A 69 -3.512 -7.708 -3.745 1.00 0.00 H new ATOM 0 HA THR A 69 -1.290 -9.607 -3.262 1.00 0.00 H new ATOM 0 HB THR A 69 -2.177 -8.263 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.899 -10.445 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.745 -9.919 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.180 -8.854 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.199 -10.520 -5.371 1.00 0.00 H new ATOM 1017 N ILE A 70 0.553 -7.905 -3.754 1.00 0.00 N ATOM 1018 CA ILE A 70 1.594 -6.896 -3.632 1.00 0.00 C ATOM 1019 C ILE A 70 2.851 -7.315 -4.387 1.00 0.00 C ATOM 1020 O ILE A 70 3.293 -8.461 -4.296 1.00 0.00 O ATOM 1021 CB ILE A 70 1.918 -6.653 -2.149 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.878 -5.473 -1.971 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.472 -7.921 -1.519 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.270 -5.726 -2.496 1.00 0.00 C ATOM 0 H ILE A 70 0.903 -8.854 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 70 1.228 -5.969 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 70 0.993 -6.390 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.463 -4.602 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.940 -5.226 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.698 -7.737 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.733 -8.719 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.383 -8.218 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.887 -4.843 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.707 -6.576 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.223 -5.942 -3.563 1.00 0.00 H new ATOM 1036 N SER A 71 3.421 -6.375 -5.129 1.00 0.00 N ATOM 1037 CA SER A 71 4.630 -6.630 -5.904 1.00 0.00 C ATOM 1038 C SER A 71 5.272 -5.319 -6.350 1.00 0.00 C ATOM 1039 O SER A 71 4.588 -4.311 -6.520 1.00 0.00 O ATOM 1040 CB SER A 71 4.307 -7.496 -7.123 1.00 0.00 C ATOM 1041 OG SER A 71 5.312 -8.472 -7.337 1.00 0.00 O ATOM 0 H SER A 71 3.064 -5.423 -5.211 1.00 0.00 H new ATOM 0 HA SER A 71 5.336 -7.163 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.344 -7.987 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.215 -6.865 -8.007 1.00 0.00 H new ATOM 0 HG SER A 71 5.081 -9.013 -8.121 1.00 0.00 H new ATOM 1047 N ARG A 72 6.588 -5.339 -6.535 1.00 0.00 N ATOM 1048 CA ARG A 72 7.319 -4.149 -6.959 1.00 0.00 C ATOM 1049 C ARG A 72 7.683 -4.227 -8.439 1.00 0.00 C ATOM 1050 O ARG A 72 7.628 -5.297 -9.045 1.00 0.00 O ATOM 1051 CB ARG A 72 8.586 -3.980 -6.118 1.00 0.00 C ATOM 1052 CG ARG A 72 9.595 -5.102 -6.307 1.00 0.00 C ATOM 1053 CD ARG A 72 10.227 -5.519 -4.987 1.00 0.00 C ATOM 1054 NE ARG A 72 10.120 -6.959 -4.761 1.00 0.00 N ATOM 1055 CZ ARG A 72 10.280 -7.537 -3.572 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.555 -6.802 -2.501 1.00 0.00 N ATOM 1057 NH2 ARG A 72 10.165 -8.852 -3.454 1.00 0.00 N ATOM 0 H ARG A 72 7.170 -6.165 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 72 6.672 -3.284 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.058 -3.031 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.309 -3.925 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.103 -5.961 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.374 -4.778 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.277 -5.228 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.743 -4.986 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 72 9.910 -7.556 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.645 -5.790 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.677 -7.250 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.954 -9.421 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.288 -9.295 -2.543 1.00 0.00 H new ATOM 1071 N ASP A 73 8.056 -3.087 -9.015 1.00 0.00 N ATOM 1072 CA ASP A 73 8.430 -3.032 -10.425 1.00 0.00 C ATOM 1073 C ASP A 73 9.835 -3.588 -10.640 1.00 0.00 C ATOM 1074 O ASP A 73 10.139 -4.141 -11.697 1.00 0.00 O ATOM 1075 CB ASP A 73 8.355 -1.594 -10.943 1.00 0.00 C ATOM 1076 CG ASP A 73 8.695 -1.489 -12.417 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.774 -2.541 -13.086 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.881 -0.354 -12.904 1.00 0.00 O ATOM 0 H ASP A 73 8.107 -2.192 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 73 7.725 -3.648 -10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.351 -1.203 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.040 -0.969 -10.370 1.00 0.00 H new ATOM 1083 N ASN A 74 10.687 -3.437 -9.631 1.00 0.00 N ATOM 1084 CA ASN A 74 12.061 -3.923 -9.709 1.00 0.00 C ATOM 1085 C ASN A 74 12.844 -3.185 -10.792 1.00 0.00 C ATOM 1086 O ASN A 74 13.813 -3.712 -11.338 1.00 0.00 O ATOM 1087 CB ASN A 74 12.079 -5.428 -9.984 1.00 0.00 C ATOM 1088 CG ASN A 74 13.095 -6.160 -9.129 1.00 0.00 C ATOM 1089 OD1 ASN A 74 12.803 -7.213 -8.562 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.297 -5.604 -9.032 1.00 0.00 N ATOM 0 H ASN A 74 10.451 -2.982 -8.749 1.00 0.00 H new ATOM 0 HA ASN A 74 12.540 -3.731 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.087 -5.840 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.303 -5.600 -11.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.022 -6.051 -8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.496 -4.730 -9.519 1.00 0.00 H new ATOM 1097 N ALA A 75 12.420 -1.962 -11.098 1.00 0.00 N ATOM 1098 CA ALA A 75 13.084 -1.155 -12.111 1.00 0.00 C ATOM 1099 C ALA A 75 13.913 -0.050 -11.468 1.00 0.00 C ATOM 1100 O ALA A 75 15.102 0.096 -11.754 1.00 0.00 O ATOM 1101 CB ALA A 75 12.060 -0.564 -13.071 1.00 0.00 C ATOM 0 H ALA A 75 11.619 -1.510 -10.657 1.00 0.00 H new ATOM 0 HA ALA A 75 13.759 -1.800 -12.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.571 0.037 -13.823 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.513 -1.370 -13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.362 0.064 -12.517 1.00 0.00 H new ATOM 1107 N LYS A 76 13.278 0.724 -10.594 1.00 0.00 N ATOM 1108 CA LYS A 76 13.955 1.815 -9.904 1.00 0.00 C ATOM 1109 C LYS A 76 13.624 1.802 -8.415 1.00 0.00 C ATOM 1110 O LYS A 76 14.518 1.711 -7.574 1.00 0.00 O ATOM 1111 CB LYS A 76 13.566 3.163 -10.518 1.00 0.00 C ATOM 1112 CG LYS A 76 12.084 3.290 -10.836 1.00 0.00 C ATOM 1113 CD LYS A 76 11.832 4.338 -11.907 1.00 0.00 C ATOM 1114 CE LYS A 76 10.344 4.554 -12.138 1.00 0.00 C ATOM 1115 NZ LYS A 76 10.002 4.561 -13.587 1.00 0.00 N ATOM 0 H LYS A 76 12.294 0.615 -10.347 1.00 0.00 H new ATOM 0 HA LYS A 76 15.029 1.673 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.850 3.960 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.138 3.313 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.699 2.327 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.538 3.555 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.296 5.279 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.305 4.028 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.781 3.767 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.040 5.500 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.979 4.711 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.520 5.328 -14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.268 3.649 -14.011 1.00 0.00 H new ATOM 1129 N LYS A 77 12.333 1.881 -8.099 1.00 0.00 N ATOM 1130 CA LYS A 77 11.869 1.871 -6.720 1.00 0.00 C ATOM 1131 C LYS A 77 10.367 2.136 -6.652 1.00 0.00 C ATOM 1132 O LYS A 77 9.933 3.202 -6.214 1.00 0.00 O ATOM 1133 CB LYS A 77 12.621 2.910 -5.878 1.00 0.00 C ATOM 1134 CG LYS A 77 12.986 2.416 -4.487 1.00 0.00 C ATOM 1135 CD LYS A 77 14.158 1.448 -4.528 1.00 0.00 C ATOM 1136 CE LYS A 77 15.480 2.162 -4.295 1.00 0.00 C ATOM 1137 NZ LYS A 77 16.288 2.257 -5.542 1.00 0.00 N ATOM 0 H LYS A 77 11.586 1.953 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 77 12.071 0.881 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.532 3.200 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.006 3.806 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.237 3.266 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.123 1.925 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.021 0.677 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.181 0.944 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.289 3.163 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.050 1.631 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.848 3.133 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.927 1.439 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.654 2.266 -6.367 1.00 0.00 H new ATOM 1151 N THR A 78 9.575 1.161 -7.088 1.00 0.00 N ATOM 1152 CA THR A 78 8.123 1.300 -7.071 1.00 0.00 C ATOM 1153 C THR A 78 7.452 0.043 -6.531 1.00 0.00 C ATOM 1154 O THR A 78 7.849 -1.079 -6.852 1.00 0.00 O ATOM 1155 CB THR A 78 7.592 1.597 -8.472 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.285 2.687 -9.054 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.113 1.925 -8.493 1.00 0.00 C ATOM 0 H THR A 78 9.912 0.271 -7.455 1.00 0.00 H new ATOM 0 HA THR A 78 7.885 2.134 -6.411 1.00 0.00 H new ATOM 0 HB THR A 78 7.753 0.682 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.930 2.859 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.799 2.126 -9.517 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.547 1.081 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.927 2.805 -7.877 1.00 0.00 H new ATOM 1165 N VAL A 79 6.422 0.249 -5.722 1.00 0.00 N ATOM 1166 CA VAL A 79 5.667 -0.850 -5.138 1.00 0.00 C ATOM 1167 C VAL A 79 4.230 -0.833 -5.644 1.00 0.00 C ATOM 1168 O VAL A 79 3.666 0.231 -5.893 1.00 0.00 O ATOM 1169 CB VAL A 79 5.665 -0.783 -3.601 1.00 0.00 C ATOM 1170 CG1 VAL A 79 7.081 -0.910 -3.059 1.00 0.00 C ATOM 1171 CG2 VAL A 79 5.014 0.505 -3.118 1.00 0.00 C ATOM 0 H VAL A 79 6.088 1.175 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 79 6.154 -1.776 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 79 5.078 -1.620 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.060 -0.860 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.506 -1.864 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.694 -0.096 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.024 0.531 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.567 1.360 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.984 0.548 -3.473 1.00 0.00 H new ATOM 1181 N TYR A 80 3.643 -2.012 -5.804 1.00 0.00 N ATOM 1182 CA TYR A 80 2.275 -2.115 -6.293 1.00 0.00 C ATOM 1183 C TYR A 80 1.474 -3.116 -5.470 1.00 0.00 C ATOM 1184 O TYR A 80 2.038 -4.027 -4.866 1.00 0.00 O ATOM 1185 CB TYR A 80 2.270 -2.529 -7.763 1.00 0.00 C ATOM 1186 CG TYR A 80 3.209 -1.727 -8.622 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.582 -1.808 -8.443 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.721 -0.899 -9.622 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.443 -1.083 -9.235 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.577 -0.172 -10.420 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.936 -0.267 -10.221 1.00 0.00 C ATOM 1192 OH TYR A 80 5.794 0.458 -11.015 1.00 0.00 O ATOM 0 H TYR A 80 4.091 -2.906 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 80 1.806 -1.136 -6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.537 -3.583 -7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.258 -2.429 -8.156 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.981 -2.449 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.655 -0.823 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.510 -1.154 -9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.185 0.468 -11.196 1.00 0.00 H new ATOM 0 HH TYR A 80 5.277 0.982 -11.662 1.00 0.00 H new ATOM 1202 N LEU A 81 0.156 -2.948 -5.452 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.709 -3.854 -4.705 1.00 0.00 C ATOM 1204 C LEU A 81 -2.050 -4.035 -5.412 1.00 0.00 C ATOM 1205 O LEU A 81 -2.739 -3.063 -5.721 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.899 -3.352 -3.261 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.232 -2.660 -2.944 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.494 -2.676 -1.446 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.229 -1.232 -3.466 1.00 0.00 C ATOM 0 H LEU A 81 -0.334 -2.199 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.227 -4.831 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.788 -4.202 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.091 -2.656 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.032 -3.208 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.443 -2.182 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.537 -3.707 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.690 -2.151 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.182 -0.757 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.420 -0.674 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.083 -1.240 -4.546 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.407 -5.290 -5.671 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.649 -5.610 -6.341 1.00 0.00 C ATOM 1223 C GLN A 82 -4.695 -6.079 -5.334 1.00 0.00 C ATOM 1224 O GLN A 82 -4.717 -7.247 -4.945 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.390 -6.691 -7.379 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.114 -6.465 -8.697 1.00 0.00 C ATOM 1227 CD GLN A 82 -5.278 -7.414 -8.902 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -6.391 -6.988 -9.209 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -5.026 -8.707 -8.738 1.00 0.00 N ATOM 0 H GLN A 82 -1.844 -6.103 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.033 -4.717 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.318 -6.749 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.693 -7.655 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.478 -5.438 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.407 -6.582 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.088 -9.015 -8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.771 -9.392 -8.867 1.00 0.00 H new ATOM 1238 N MET A 83 -5.549 -5.159 -4.906 1.00 0.00 N ATOM 1239 CA MET A 83 -6.589 -5.470 -3.935 1.00 0.00 C ATOM 1240 C MET A 83 -7.776 -6.164 -4.598 1.00 0.00 C ATOM 1241 O MET A 83 -8.704 -5.509 -5.073 1.00 0.00 O ATOM 1242 CB MET A 83 -7.052 -4.191 -3.237 1.00 0.00 C ATOM 1243 CG MET A 83 -5.910 -3.288 -2.813 1.00 0.00 C ATOM 1244 SD MET A 83 -6.210 -1.553 -3.200 1.00 0.00 S ATOM 1245 CE MET A 83 -6.095 -0.818 -1.571 1.00 0.00 C ATOM 0 H MET A 83 -5.542 -4.188 -5.217 1.00 0.00 H new ATOM 0 HA MET A 83 -6.169 -6.153 -3.196 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.712 -3.639 -3.906 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.640 -4.458 -2.359 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.749 -3.394 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.994 -3.612 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.638 0.127 -1.559 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.529 -1.495 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.048 -0.638 -1.326 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.738 -7.492 -4.627 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.803 -8.277 -5.228 1.00 0.00 C ATOM 1257 C ASN A 84 -9.868 -8.625 -4.194 1.00 0.00 C ATOM 1258 O ASN A 84 -9.742 -8.276 -3.020 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.238 -9.559 -5.849 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.729 -9.532 -6.013 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.160 -8.531 -6.447 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.074 -10.634 -5.667 1.00 0.00 N ATOM 0 H ASN A 84 -6.976 -8.047 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.264 -7.677 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.514 -10.409 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.700 -9.716 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.059 -10.673 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.586 -11.441 -5.311 1.00 0.00 H new ATOM 1269 N SER A 85 -10.914 -9.321 -4.640 1.00 0.00 N ATOM 1270 CA SER A 85 -12.010 -9.729 -3.763 1.00 0.00 C ATOM 1271 C SER A 85 -12.356 -8.634 -2.755 1.00 0.00 C ATOM 1272 O SER A 85 -12.612 -8.911 -1.583 1.00 0.00 O ATOM 1273 CB SER A 85 -11.638 -11.018 -3.034 1.00 0.00 C ATOM 1274 OG SER A 85 -12.789 -11.788 -2.733 1.00 0.00 O ATOM 0 H SER A 85 -11.025 -9.615 -5.610 1.00 0.00 H new ATOM 0 HA SER A 85 -12.891 -9.903 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.957 -11.604 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.107 -10.778 -2.113 1.00 0.00 H new ATOM 0 HG SER A 85 -12.522 -12.608 -2.268 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.354 -7.390 -3.222 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.659 -6.251 -2.368 1.00 0.00 C ATOM 1282 C LEU A 86 -14.064 -6.360 -1.787 1.00 0.00 C ATOM 1283 O LEU A 86 -14.914 -7.079 -2.314 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.515 -4.946 -3.156 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.518 -3.946 -2.570 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.122 -4.199 -3.119 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.958 -2.520 -2.864 1.00 0.00 C ATOM 0 H LEU A 86 -12.144 -7.146 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.949 -6.249 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.210 -5.186 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.492 -4.467 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.491 -4.081 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.426 -3.478 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.805 -5.208 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.133 -4.093 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.237 -1.822 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.015 -2.372 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.938 -2.343 -2.421 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.297 -5.639 -0.698 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.595 -5.645 -0.034 1.00 0.00 C ATOM 1301 C LYS A 87 -16.090 -4.216 0.181 1.00 0.00 C ATOM 1302 O LYS A 87 -15.314 -3.266 0.088 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.495 -6.379 1.306 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.144 -7.852 1.171 1.00 0.00 C ATOM 1305 CD LYS A 87 -16.120 -8.580 0.260 1.00 0.00 C ATOM 1306 CE LYS A 87 -17.542 -8.508 0.794 1.00 0.00 C ATOM 1307 NZ LYS A 87 -18.309 -9.750 0.499 1.00 0.00 N ATOM 0 H LYS A 87 -13.601 -5.040 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.311 -6.167 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.741 -5.890 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.445 -6.288 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.133 -7.951 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.147 -8.319 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.083 -8.143 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.819 -9.623 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.517 -8.344 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.053 -7.652 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.273 -9.661 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.355 -9.894 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.836 -10.564 0.942 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.394 -4.038 0.467 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.976 -2.708 0.688 1.00 0.00 C ATOM 1323 C PRO A 88 -17.535 -2.067 2.003 1.00 0.00 C ATOM 1324 O PRO A 88 -18.035 -1.010 2.385 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.481 -2.978 0.704 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.605 -4.394 1.145 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.404 -5.109 0.589 1.00 0.00 C ATOM 0 HA PRO A 88 -17.657 -2.002 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.997 -2.304 1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.921 -2.830 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.631 -4.463 2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.529 -4.838 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.067 -5.905 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.621 -5.569 -0.375 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.596 -2.708 2.690 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.090 -2.197 3.955 1.00 0.00 C ATOM 1337 C GLU A 89 -14.655 -1.683 3.805 1.00 0.00 C ATOM 1338 O GLU A 89 -14.107 -1.078 4.726 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.154 -3.297 5.020 1.00 0.00 C ATOM 1340 CG GLU A 89 -15.342 -2.995 6.268 1.00 0.00 C ATOM 1341 CD GLU A 89 -15.909 -3.655 7.509 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.937 -3.168 8.024 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -15.325 -4.660 7.966 1.00 0.00 O ATOM 0 H GLU A 89 -16.170 -3.585 2.390 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.715 -1.360 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.195 -3.453 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.799 -4.231 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.316 -3.332 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.305 -1.916 6.420 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.050 -1.926 2.642 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.690 -1.488 2.382 1.00 0.00 C ATOM 1352 C ASP A 90 -12.654 -0.031 1.924 1.00 0.00 C ATOM 1353 O ASP A 90 -11.587 0.579 1.855 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.052 -2.385 1.323 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.077 -3.849 1.714 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.170 -4.360 2.032 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.002 -4.486 1.701 1.00 0.00 O ATOM 0 H ASP A 90 -14.487 -2.425 1.867 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.125 -1.562 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.577 -2.256 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.020 -2.073 1.160 1.00 0.00 H new ATOM 1362 N THR A 91 -13.824 0.526 1.614 1.00 0.00 N ATOM 1363 CA THR A 91 -13.924 1.905 1.168 1.00 0.00 C ATOM 1364 C THR A 91 -13.239 2.851 2.152 1.00 0.00 C ATOM 1365 O THR A 91 -13.744 3.089 3.249 1.00 0.00 O ATOM 1366 CB THR A 91 -15.395 2.275 1.020 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.020 1.445 0.059 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.622 3.714 0.611 1.00 0.00 C ATOM 0 H THR A 91 -14.717 0.036 1.666 1.00 0.00 H new ATOM 0 HA THR A 91 -13.420 2.003 0.207 1.00 0.00 H new ATOM 0 HB THR A 91 -15.829 2.134 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.964 1.694 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.692 3.904 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.195 4.378 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.143 3.899 -0.350 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.088 3.386 1.755 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.345 4.302 2.614 1.00 0.00 C ATOM 1378 C ALA A 92 -10.190 4.959 1.865 1.00 0.00 C ATOM 1379 O ALA A 92 -9.996 4.727 0.672 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.827 3.569 3.841 1.00 0.00 C ATOM 0 H ALA A 92 -11.652 3.203 0.851 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.028 5.090 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.274 4.264 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.667 3.158 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.168 2.759 3.529 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.423 5.776 2.580 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.282 6.466 1.996 1.00 0.00 C ATOM 1388 C VAL A 93 -7.016 5.623 2.123 1.00 0.00 C ATOM 1389 O VAL A 93 -6.442 5.506 3.206 1.00 0.00 O ATOM 1390 CB VAL A 93 -8.063 7.831 2.676 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.809 8.512 2.144 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.282 8.721 2.485 1.00 0.00 C ATOM 0 H VAL A 93 -9.573 5.976 3.569 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.496 6.626 0.939 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.923 7.661 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.678 9.473 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.942 7.882 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.908 8.669 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.111 9.681 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.454 8.879 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.156 8.241 2.926 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.589 5.032 1.012 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.405 4.198 0.993 1.00 0.00 C ATOM 1404 C TYR A 94 -4.154 5.032 0.737 1.00 0.00 C ATOM 1405 O TYR A 94 -3.953 5.542 -0.365 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.559 3.140 -0.093 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.199 1.859 0.390 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -5.432 0.834 0.931 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -7.573 1.673 0.300 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -6.017 -0.339 1.370 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -8.165 0.503 0.736 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.384 -0.500 1.270 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.970 -1.667 1.704 1.00 0.00 O ATOM 0 H TYR A 94 -7.054 5.120 0.108 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.295 3.718 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.159 3.551 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.577 2.911 -0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.362 0.956 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.189 2.456 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.407 -1.126 1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.235 0.375 0.659 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.939 -1.619 1.564 1.00 0.00 H new ATOM 1423 N THR A 95 -3.315 5.167 1.757 1.00 0.00 N ATOM 1424 CA THR A 95 -2.083 5.940 1.631 1.00 0.00 C ATOM 1425 C THR A 95 -0.865 5.026 1.687 1.00 0.00 C ATOM 1426 O THR A 95 -0.796 4.125 2.516 1.00 0.00 O ATOM 1427 CB THR A 95 -1.999 6.993 2.736 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.237 7.667 2.881 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.933 8.038 2.486 1.00 0.00 C ATOM 0 H THR A 95 -3.463 4.754 2.678 1.00 0.00 H new ATOM 0 HA THR A 95 -2.095 6.443 0.664 1.00 0.00 H new ATOM 0 HB THR A 95 -1.741 6.443 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.164 8.336 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.926 8.755 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.042 7.555 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.146 8.558 1.552 1.00 0.00 H new ATOM 1437 N CYS A 96 0.095 5.260 0.799 1.00 0.00 N ATOM 1438 CA CYS A 96 1.303 4.444 0.760 1.00 0.00 C ATOM 1439 C CYS A 96 2.458 5.134 1.481 1.00 0.00 C ATOM 1440 O CYS A 96 2.655 6.343 1.351 1.00 0.00 O ATOM 1441 CB CYS A 96 1.691 4.130 -0.688 1.00 0.00 C ATOM 1442 SG CYS A 96 2.400 5.538 -1.605 1.00 0.00 S ATOM 0 H CYS A 96 0.061 6.003 0.101 1.00 0.00 H new ATOM 0 HA CYS A 96 1.092 3.508 1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.412 3.313 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.807 3.775 -1.219 1.00 0.00 H new ATOM 1447 N GLY A 97 3.218 4.352 2.241 1.00 0.00 N ATOM 1448 CA GLY A 97 4.346 4.894 2.973 1.00 0.00 C ATOM 1449 C GLY A 97 5.542 3.960 2.965 1.00 0.00 C ATOM 1450 O GLY A 97 5.564 2.974 2.227 1.00 0.00 O ATOM 0 H GLY A 97 3.071 3.350 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.633 5.851 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.048 5.089 4.003 1.00 0.00 H new ATOM 1454 N ALA A 98 6.538 4.270 3.788 1.00 0.00 N ATOM 1455 CA ALA A 98 7.742 3.452 3.871 1.00 0.00 C ATOM 1456 C ALA A 98 8.172 3.251 5.317 1.00 0.00 C ATOM 1457 O ALA A 98 7.680 3.923 6.224 1.00 0.00 O ATOM 1458 CB ALA A 98 8.866 4.086 3.066 1.00 0.00 C ATOM 0 H ALA A 98 6.535 5.081 4.406 1.00 0.00 H new ATOM 0 HA ALA A 98 7.515 2.473 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.759 3.465 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.564 4.170 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.082 5.078 3.462 1.00 0.00 H new ATOM 1464 N GLY A 99 9.094 2.318 5.524 1.00 0.00 N ATOM 1465 CA GLY A 99 9.578 2.038 6.862 1.00 0.00 C ATOM 1466 C GLY A 99 10.955 2.617 7.117 1.00 0.00 C ATOM 1467 O GLY A 99 11.510 3.314 6.268 1.00 0.00 O ATOM 0 H GLY A 99 9.515 1.750 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.876 2.444 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.607 0.959 7.015 1.00 0.00 H new ATOM 1471 N GLU A 100 11.504 2.329 8.292 1.00 0.00 N ATOM 1472 CA GLU A 100 12.822 2.825 8.664 1.00 0.00 C ATOM 1473 C GLU A 100 13.271 2.222 9.991 1.00 0.00 C ATOM 1474 O GLU A 100 12.740 2.558 11.049 1.00 0.00 O ATOM 1475 CB GLU A 100 12.798 4.348 8.761 1.00 0.00 C ATOM 1476 CG GLU A 100 13.365 5.045 7.536 1.00 0.00 C ATOM 1477 CD GLU A 100 14.111 6.318 7.883 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.027 6.257 8.729 1.00 0.00 O ATOM 1479 OE2 GLU A 100 13.778 7.377 7.309 1.00 0.00 O ATOM 0 H GLU A 100 11.055 1.753 9.004 1.00 0.00 H new ATOM 0 HA GLU A 100 13.533 2.527 7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.770 4.678 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.365 4.657 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.038 4.365 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.553 5.280 6.848 1.00 0.00 H new ATOM 1486 N GLY A 101 14.251 1.327 9.926 1.00 0.00 N ATOM 1487 CA GLY A 101 14.755 0.688 11.123 1.00 0.00 C ATOM 1488 C GLY A 101 13.693 -0.114 11.852 1.00 0.00 C ATOM 1489 O GLY A 101 13.862 -0.459 13.022 1.00 0.00 O ATOM 0 H GLY A 101 14.705 1.033 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.582 0.030 10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.155 1.448 11.794 1.00 0.00 H new ATOM 1493 N GLY A 102 12.595 -0.412 11.163 1.00 0.00 N ATOM 1494 CA GLY A 102 11.521 -1.175 11.771 1.00 0.00 C ATOM 1495 C GLY A 102 10.264 -0.351 11.973 1.00 0.00 C ATOM 1496 O GLY A 102 9.184 -0.899 12.192 1.00 0.00 O ATOM 0 H GLY A 102 12.431 -0.138 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.290 -2.035 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.855 -1.563 12.733 1.00 0.00 H new ATOM 1500 N THR A 103 10.405 0.970 11.904 1.00 0.00 N ATOM 1501 CA THR A 103 9.281 1.872 12.083 1.00 0.00 C ATOM 1502 C THR A 103 8.707 2.285 10.730 1.00 0.00 C ATOM 1503 O THR A 103 9.200 1.867 9.683 1.00 0.00 O ATOM 1504 CB THR A 103 9.750 3.101 12.854 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.605 2.725 13.919 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.626 3.928 13.441 1.00 0.00 C ATOM 0 H THR A 103 11.294 1.437 11.724 1.00 0.00 H new ATOM 0 HA THR A 103 8.496 1.365 12.644 1.00 0.00 H new ATOM 0 HB THR A 103 10.270 3.712 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.898 3.526 14.402 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.043 4.783 13.973 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.977 4.281 12.640 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.048 3.316 14.134 1.00 0.00 H new ATOM 1514 N TRP A 104 7.667 3.110 10.759 1.00 0.00 N ATOM 1515 CA TRP A 104 7.029 3.583 9.535 1.00 0.00 C ATOM 1516 C TRP A 104 6.610 5.041 9.673 1.00 0.00 C ATOM 1517 O TRP A 104 5.516 5.342 10.149 1.00 0.00 O ATOM 1518 CB TRP A 104 5.814 2.719 9.200 1.00 0.00 C ATOM 1519 CG TRP A 104 6.162 1.288 8.931 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.357 0.305 9.857 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.361 0.679 7.650 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.663 -0.880 9.231 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.671 -0.675 7.875 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.305 1.147 6.334 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.925 -1.565 6.834 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.557 0.264 5.301 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.863 -1.079 5.556 1.00 0.00 C ATOM 0 H TRP A 104 7.247 3.466 11.618 1.00 0.00 H new ATOM 0 HA TRP A 104 7.752 3.506 8.723 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.105 2.764 10.027 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.311 3.134 8.326 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.282 0.438 10.926 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.853 -1.766 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.069 2.181 6.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.162 -2.601 7.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.517 0.615 4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.054 -1.745 4.727 1.00 0.00 H new ATOM 1538 N ASP A 105 7.492 5.944 9.257 1.00 0.00 N ATOM 1539 CA ASP A 105 7.218 7.374 9.336 1.00 0.00 C ATOM 1540 C ASP A 105 7.189 8.019 7.949 1.00 0.00 C ATOM 1541 O ASP A 105 6.930 9.216 7.821 1.00 0.00 O ATOM 1542 CB ASP A 105 8.263 8.058 10.213 1.00 0.00 C ATOM 1543 CG ASP A 105 8.066 9.560 10.296 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.959 9.993 10.676 1.00 0.00 O ATOM 1545 OD2 ASP A 105 9.020 10.301 9.980 1.00 0.00 O ATOM 0 H ASP A 105 8.403 5.711 8.862 1.00 0.00 H new ATOM 0 HA ASP A 105 6.232 7.502 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.222 7.634 11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.257 7.847 9.818 1.00 0.00 H new ATOM 1550 N SER A 106 7.453 7.226 6.912 1.00 0.00 N ATOM 1551 CA SER A 106 7.451 7.737 5.546 1.00 0.00 C ATOM 1552 C SER A 106 6.086 7.542 4.895 1.00 0.00 C ATOM 1553 O SER A 106 5.503 6.461 4.964 1.00 0.00 O ATOM 1554 CB SER A 106 8.529 7.040 4.713 1.00 0.00 C ATOM 1555 OG SER A 106 9.010 7.892 3.687 1.00 0.00 O ATOM 0 H SER A 106 7.670 6.233 6.992 1.00 0.00 H new ATOM 0 HA SER A 106 7.668 8.805 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.355 6.740 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.122 6.130 4.273 1.00 0.00 H new ATOM 0 HG SER A 106 9.702 7.426 3.173 1.00 0.00 H new ATOM 1561 N TRP A 107 5.582 8.597 4.264 1.00 0.00 N ATOM 1562 CA TRP A 107 4.285 8.542 3.600 1.00 0.00 C ATOM 1563 C TRP A 107 4.339 9.238 2.245 1.00 0.00 C ATOM 1564 O TRP A 107 5.252 10.016 1.971 1.00 0.00 O ATOM 1565 CB TRP A 107 3.209 9.191 4.472 1.00 0.00 C ATOM 1566 CG TRP A 107 3.299 8.807 5.917 1.00 0.00 C ATOM 1567 CD1 TRP A 107 4.084 9.387 6.868 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.578 7.759 6.574 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.897 8.765 8.079 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.977 7.761 7.924 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.633 6.819 6.153 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.464 6.861 8.854 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.125 5.926 7.077 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.540 5.952 8.414 1.00 0.00 C ATOM 0 H TRP A 107 6.052 9.500 4.198 1.00 0.00 H new ATOM 0 HA TRP A 107 4.032 7.493 3.444 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.288 10.275 4.387 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.227 8.912 4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.755 10.215 6.695 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.366 9.010 8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.306 6.791 5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.784 6.879 9.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.395 5.195 6.762 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.123 5.241 9.112 1.00 0.00 H new ATOM 1585 N GLY A 108 3.353 8.954 1.401 1.00 0.00 N ATOM 1586 CA GLY A 108 3.306 9.563 0.085 1.00 0.00 C ATOM 1587 C GLY A 108 2.250 10.646 -0.013 1.00 0.00 C ATOM 1588 O GLY A 108 2.512 11.808 0.299 1.00 0.00 O ATOM 0 H GLY A 108 2.586 8.313 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.282 9.988 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.105 8.794 -0.661 1.00 0.00 H new ATOM 1592 N GLN A 109 1.053 10.265 -0.447 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.046 11.212 -0.583 1.00 0.00 C ATOM 1594 C GLN A 109 -1.362 10.584 -0.136 1.00 0.00 C ATOM 1595 O GLN A 109 -1.919 10.955 0.897 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.161 11.690 -2.031 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.242 12.736 -2.242 1.00 0.00 C ATOM 1598 CD GLN A 109 -1.893 12.636 -3.607 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -1.897 13.596 -4.378 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -2.448 11.469 -3.914 1.00 0.00 N ATOM 0 H GLN A 109 0.820 9.307 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 109 0.164 12.068 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.798 12.102 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.366 10.833 -2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.005 12.625 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.809 13.729 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.422 10.700 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.901 11.342 -4.819 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.853 9.629 -0.920 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.099 8.964 -0.586 1.00 0.00 C ATOM 1611 C GLY A 110 -3.954 8.677 -1.803 1.00 0.00 C ATOM 1612 O GLY A 110 -3.899 9.403 -2.796 1.00 0.00 O ATOM 0 H GLY A 110 -1.411 9.304 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.880 8.028 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.662 9.585 0.110 1.00 0.00 H new ATOM 1616 N THR A 111 -4.752 7.618 -1.722 1.00 0.00 N ATOM 1617 CA THR A 111 -5.631 7.232 -2.819 1.00 0.00 C ATOM 1618 C THR A 111 -6.912 6.606 -2.280 1.00 0.00 C ATOM 1619 O THR A 111 -6.907 5.475 -1.794 1.00 0.00 O ATOM 1620 CB THR A 111 -4.921 6.253 -3.758 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.842 5.668 -4.661 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.214 5.129 -3.032 1.00 0.00 C ATOM 0 H THR A 111 -4.808 7.010 -0.905 1.00 0.00 H new ATOM 0 HA THR A 111 -5.889 8.129 -3.382 1.00 0.00 H new ATOM 0 HB THR A 111 -4.175 6.849 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.962 4.721 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.733 4.473 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.461 5.545 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.939 4.558 -2.452 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.008 7.354 -2.358 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.293 6.874 -1.867 1.00 0.00 C ATOM 1632 C GLN A 112 -9.790 5.696 -2.696 1.00 0.00 C ATOM 1633 O GLN A 112 -9.624 5.659 -3.915 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.321 8.018 -1.863 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.781 7.579 -1.933 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.408 7.439 -0.563 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.640 6.923 0.386 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.570 7.792 -0.360 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.031 8.293 -2.756 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.162 6.524 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.179 8.610 -0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.114 8.674 -2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.348 8.304 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.846 6.626 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.124 8.184 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.978 7.692 0.569 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.406 4.739 -2.015 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.941 3.554 -2.661 1.00 0.00 C ATOM 1649 C VAL A 113 -12.454 3.492 -2.477 1.00 0.00 C ATOM 1650 O VAL A 113 -12.945 3.385 -1.353 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.294 2.284 -2.078 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.055 1.032 -2.496 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.835 2.191 -2.499 1.00 0.00 C ATOM 0 H VAL A 113 -10.547 4.764 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.712 3.609 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.340 2.352 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.573 0.153 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.082 1.093 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.055 0.952 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.392 1.288 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.772 2.154 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.295 3.064 -2.134 1.00 0.00 H new ATOM 1663 N THR A 114 -13.184 3.567 -3.584 1.00 0.00 N ATOM 1664 CA THR A 114 -14.639 3.526 -3.543 1.00 0.00 C ATOM 1665 C THR A 114 -15.159 2.139 -3.906 1.00 0.00 C ATOM 1666 O THR A 114 -15.095 1.724 -5.064 1.00 0.00 O ATOM 1667 CB THR A 114 -15.225 4.571 -4.494 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.762 5.867 -4.161 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.738 4.608 -4.486 1.00 0.00 C ATOM 0 H THR A 114 -12.791 3.657 -4.521 1.00 0.00 H new ATOM 0 HA THR A 114 -14.955 3.753 -2.525 1.00 0.00 H new ATOM 0 HB THR A 114 -14.891 4.275 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.363 6.538 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.087 5.371 -5.182 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.127 3.636 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.091 4.844 -3.482 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.676 1.428 -2.910 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.212 0.088 -3.121 1.00 0.00 C ATOM 1679 C VAL A 115 -17.740 0.102 -3.018 1.00 0.00 C ATOM 1680 O VAL A 115 -18.364 1.150 -3.186 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.627 -0.929 -2.110 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.452 -2.294 -2.765 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.299 -0.438 -1.543 1.00 0.00 C ATOM 0 H VAL A 115 -15.735 1.758 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.919 -0.226 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.333 -1.025 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.040 -2.996 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.419 -2.657 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.772 -2.207 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.912 -1.172 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.584 -0.304 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.451 0.513 -1.032 1.00 0.00 H new ATOM 1693 N SER A 116 -18.341 -1.059 -2.749 1.00 0.00 N ATOM 1694 CA SER A 116 -19.795 -1.172 -2.631 1.00 0.00 C ATOM 1695 C SER A 116 -20.453 -1.217 -4.004 1.00 0.00 C ATOM 1696 O SER A 116 -21.153 -2.173 -4.338 1.00 0.00 O ATOM 1697 CB SER A 116 -20.370 -0.010 -1.813 1.00 0.00 C ATOM 1698 OG SER A 116 -21.474 -0.434 -1.031 1.00 0.00 O ATOM 0 H SER A 116 -17.841 -1.937 -2.608 1.00 0.00 H new ATOM 0 HA SER A 116 -20.011 -2.105 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.596 0.400 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.681 0.792 -2.483 1.00 0.00 H new ATOM 0 HG SER A 116 -21.822 0.325 -0.517 1.00 0.00 H new