USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 720 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 37 ASN :FLIP amide:sc= -0.281 F(o=-1.1,f=-0.28) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -118:sc= 0.0103 (180deg=0) USER MOD Set 2.2: A 27 THR OG1 : rot -107:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0862 (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 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4.1!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 5:sc= 0.44 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 149:sc= -0.628 (180deg=-2.32!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0.0108 USER MOD Single : A 35 ASN : amide:sc= -6.45! C(o=-6.4!,f=-6!) USER MOD Single : A 40 ASN :FLIP amide:sc= 0.389 F(o=-0.76,f=0.39) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.87 F(o=-3.7,f=-2.9) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0131 (180deg=-0.155) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.7) USER MOD Single : A 72 GLN : amide:sc= 0.0178 X(o=0.018,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00222) USER MOD Single : A 77 ASN : amide:sc= 0.18 K(o=0.18,f=-2.6!) USER MOD Single : A 84 ASN : amide:sc= -2.8! C(o=-2.8!,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00605 K(o=-0.0061,f=-0.6) USER MOD Single : A 88 MET CE :methyl -176:sc= 0 (180deg=-0.0333) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.0526 X(o=0.053,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.440 7.578 -35.937 1.00 0.00 N ATOM 2 CA GLY A 1 -2.350 7.306 -34.840 1.00 0.00 C ATOM 3 C GLY A 1 -1.641 6.743 -33.624 1.00 0.00 C ATOM 4 O GLY A 1 -0.503 6.283 -33.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.349 8.606 -36.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.507 7.172 -35.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.811 7.151 -36.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.865 8.226 -34.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.113 6.601 -35.171 1.00 0.00 H new ATOM 8 N SER A 2 -2.314 6.779 -32.479 1.00 0.00 N ATOM 9 CA SER A 2 -1.739 6.274 -31.238 1.00 0.00 C ATOM 10 C SER A 2 -1.516 4.766 -31.317 1.00 0.00 C ATOM 11 O SER A 2 -2.187 4.068 -32.076 1.00 0.00 O ATOM 12 CB SER A 2 -2.652 6.604 -30.056 1.00 0.00 C ATOM 13 OG SER A 2 -3.841 5.834 -30.099 1.00 0.00 O ATOM 0 H SER A 2 -3.258 7.153 -32.385 1.00 0.00 H new ATOM 0 HA SER A 2 -0.775 6.760 -31.089 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.125 6.413 -29.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.901 7.665 -30.070 1.00 0.00 H new ATOM 0 HG SER A 2 -4.407 6.062 -29.332 1.00 0.00 H new ATOM 19 N SER A 3 -0.569 4.272 -30.527 1.00 0.00 N ATOM 20 CA SER A 3 -0.254 2.848 -30.509 1.00 0.00 C ATOM 21 C SER A 3 -1.157 2.104 -29.531 1.00 0.00 C ATOM 22 O SER A 3 -1.857 1.164 -29.907 1.00 0.00 O ATOM 23 CB SER A 3 1.213 2.634 -30.130 1.00 0.00 C ATOM 24 OG SER A 3 2.053 2.730 -31.268 1.00 0.00 O ATOM 0 H SER A 3 -0.006 4.836 -29.891 1.00 0.00 H new ATOM 0 HA SER A 3 -0.426 2.450 -31.509 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.512 3.376 -29.389 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.333 1.655 -29.667 1.00 0.00 H new ATOM 0 HG SER A 3 2.985 2.591 -30.999 1.00 0.00 H new ATOM 30 N GLY A 4 -1.137 2.532 -28.272 1.00 0.00 N ATOM 31 CA GLY A 4 -1.957 1.896 -27.259 1.00 0.00 C ATOM 32 C GLY A 4 -1.290 1.880 -25.898 1.00 0.00 C ATOM 33 O GLY A 4 -0.343 2.628 -25.655 1.00 0.00 O ATOM 0 H GLY A 4 -0.567 3.308 -27.936 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.910 2.419 -27.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.177 0.873 -27.564 1.00 0.00 H new ATOM 37 N SER A 5 -1.785 1.027 -25.007 1.00 0.00 N ATOM 38 CA SER A 5 -1.234 0.921 -23.661 1.00 0.00 C ATOM 39 C SER A 5 -0.980 -0.538 -23.292 1.00 0.00 C ATOM 40 O SER A 5 -1.645 -1.442 -23.796 1.00 0.00 O ATOM 41 CB SER A 5 -2.185 1.558 -22.646 1.00 0.00 C ATOM 42 OG SER A 5 -3.327 0.746 -22.438 1.00 0.00 O ATOM 0 H SER A 5 -2.567 0.399 -25.193 1.00 0.00 H new ATOM 0 HA SER A 5 -0.283 1.454 -23.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.665 1.708 -21.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.494 2.542 -23.000 1.00 0.00 H new ATOM 0 HG SER A 5 -3.918 1.174 -21.784 1.00 0.00 H new ATOM 48 N SER A 6 -0.012 -0.758 -22.407 1.00 0.00 N ATOM 49 CA SER A 6 0.333 -2.106 -21.972 1.00 0.00 C ATOM 50 C SER A 6 -0.910 -2.868 -21.526 1.00 0.00 C ATOM 51 O SER A 6 -1.889 -2.274 -21.076 1.00 0.00 O ATOM 52 CB SER A 6 1.349 -2.051 -20.829 1.00 0.00 C ATOM 53 OG SER A 6 1.930 -3.323 -20.601 1.00 0.00 O ATOM 0 H SER A 6 0.546 -0.020 -21.978 1.00 0.00 H new ATOM 0 HA SER A 6 0.776 -2.632 -22.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.130 -1.329 -21.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.859 -1.703 -19.919 1.00 0.00 H new ATOM 0 HG SER A 6 2.577 -3.261 -19.867 1.00 0.00 H new ATOM 59 N GLY A 7 -0.864 -4.191 -21.656 1.00 0.00 N ATOM 60 CA GLY A 7 -1.993 -5.014 -21.263 1.00 0.00 C ATOM 61 C GLY A 7 -2.285 -4.927 -19.778 1.00 0.00 C ATOM 62 O GLY A 7 -2.296 -3.839 -19.204 1.00 0.00 O ATOM 0 H GLY A 7 -0.066 -4.707 -22.026 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.876 -4.705 -21.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.793 -6.052 -21.531 1.00 0.00 H new ATOM 66 N ASN A 8 -2.525 -6.076 -19.155 1.00 0.00 N ATOM 67 CA ASN A 8 -2.822 -6.124 -17.728 1.00 0.00 C ATOM 68 C ASN A 8 -2.600 -7.527 -17.173 1.00 0.00 C ATOM 69 O ASN A 8 -3.302 -8.469 -17.540 1.00 0.00 O ATOM 70 CB ASN A 8 -4.265 -5.684 -17.471 1.00 0.00 C ATOM 71 CG ASN A 8 -4.476 -4.206 -17.739 1.00 0.00 C ATOM 72 OD1 ASN A 8 -4.779 -3.805 -18.863 1.00 0.00 O ATOM 73 ND2 ASN A 8 -4.315 -3.389 -16.706 1.00 0.00 N ATOM 0 H ASN A 8 -2.520 -6.986 -19.616 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.144 -5.439 -17.218 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.937 -6.265 -18.103 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.530 -5.904 -16.437 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.443 -2.384 -16.826 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.064 -3.766 -15.792 1.00 0.00 H new ATOM 80 N ALA A 9 -1.619 -7.658 -16.286 1.00 0.00 N ATOM 81 CA ALA A 9 -1.306 -8.946 -15.678 1.00 0.00 C ATOM 82 C ALA A 9 -2.334 -9.315 -14.613 1.00 0.00 C ATOM 83 O ALA A 9 -3.202 -8.512 -14.273 1.00 0.00 O ATOM 84 CB ALA A 9 0.092 -8.920 -15.078 1.00 0.00 C ATOM 0 H ALA A 9 -1.027 -6.888 -15.972 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.341 -9.706 -16.458 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.313 -9.888 -14.627 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.820 -8.710 -15.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.146 -8.144 -14.315 1.00 0.00 H new ATOM 90 N GLN A 10 -2.228 -10.533 -14.093 1.00 0.00 N ATOM 91 CA GLN A 10 -3.150 -11.008 -13.068 1.00 0.00 C ATOM 92 C GLN A 10 -2.434 -11.192 -11.734 1.00 0.00 C ATOM 93 O GLN A 10 -2.015 -12.298 -11.391 1.00 0.00 O ATOM 94 CB GLN A 10 -3.793 -12.326 -13.502 1.00 0.00 C ATOM 95 CG GLN A 10 -5.007 -12.713 -12.672 1.00 0.00 C ATOM 96 CD GLN A 10 -6.286 -12.072 -13.176 1.00 0.00 C ATOM 97 OE1 GLN A 10 -6.267 -10.970 -13.725 1.00 0.00 O ATOM 98 NE2 GLN A 10 -7.406 -12.761 -12.992 1.00 0.00 N ATOM 0 H GLN A 10 -1.514 -11.209 -14.364 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.929 -10.257 -12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.088 -12.249 -14.548 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.051 -13.121 -13.438 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.119 -13.797 -12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.842 -12.420 -11.635 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.375 -13.671 -12.532 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.297 -12.380 -13.311 1.00 0.00 H new ATOM 107 N ARG A 11 -2.296 -10.102 -10.987 1.00 0.00 N ATOM 108 CA ARG A 11 -1.628 -10.143 -9.691 1.00 0.00 C ATOM 109 C ARG A 11 -2.447 -10.944 -8.683 1.00 0.00 C ATOM 110 O ARG A 11 -3.668 -11.047 -8.801 1.00 0.00 O ATOM 111 CB ARG A 11 -1.399 -8.725 -9.166 1.00 0.00 C ATOM 112 CG ARG A 11 -0.145 -8.067 -9.717 1.00 0.00 C ATOM 113 CD ARG A 11 -0.302 -7.711 -11.187 1.00 0.00 C ATOM 114 NE ARG A 11 0.806 -6.892 -11.673 1.00 0.00 N ATOM 115 CZ ARG A 11 0.856 -5.571 -11.544 1.00 0.00 C ATOM 116 NH1 ARG A 11 -0.134 -4.923 -10.946 1.00 0.00 N ATOM 117 NH2 ARG A 11 1.898 -4.896 -12.012 1.00 0.00 N ATOM 0 H ARG A 11 -2.638 -9.179 -11.256 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.664 -10.634 -9.823 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.263 -8.110 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.335 -8.755 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.076 -7.166 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.704 -8.739 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.363 -8.625 -11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.240 -7.175 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 11 1.584 -7.361 -12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.936 -5.439 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.094 -3.909 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.662 -5.392 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.935 -3.882 -11.912 1.00 0.00 H new ATOM 131 N SER A 12 -1.766 -11.511 -7.693 1.00 0.00 N ATOM 132 CA SER A 12 -2.429 -12.307 -6.666 1.00 0.00 C ATOM 133 C SER A 12 -2.590 -11.506 -5.378 1.00 0.00 C ATOM 134 O SER A 12 -2.661 -12.072 -4.286 1.00 0.00 O ATOM 135 CB SER A 12 -1.635 -13.585 -6.390 1.00 0.00 C ATOM 136 OG SER A 12 -1.871 -14.559 -7.393 1.00 0.00 O ATOM 0 H SER A 12 -0.755 -11.434 -7.580 1.00 0.00 H new ATOM 0 HA SER A 12 -3.420 -12.576 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.571 -13.353 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.914 -13.987 -5.416 1.00 0.00 H new ATOM 0 HG SER A 12 -1.351 -15.366 -7.195 1.00 0.00 H new ATOM 142 N THR A 13 -2.646 -10.185 -5.512 1.00 0.00 N ATOM 143 CA THR A 13 -2.797 -9.305 -4.360 1.00 0.00 C ATOM 144 C THR A 13 -1.758 -9.618 -3.289 1.00 0.00 C ATOM 145 O THR A 13 -2.095 -9.804 -2.119 1.00 0.00 O ATOM 146 CB THR A 13 -4.204 -9.422 -3.745 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.384 -10.725 -3.179 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.276 -9.165 -4.793 1.00 0.00 C ATOM 0 H THR A 13 -2.589 -9.701 -6.408 1.00 0.00 H new ATOM 0 HA THR A 13 -2.649 -8.286 -4.718 1.00 0.00 H new ATOM 0 HB THR A 13 -4.298 -8.670 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.543 -11.225 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.261 -9.253 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.154 -8.161 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.182 -9.896 -5.596 1.00 0.00 H new ATOM 156 N LEU A 14 -0.495 -9.675 -3.696 1.00 0.00 N ATOM 157 CA LEU A 14 0.595 -9.965 -2.770 1.00 0.00 C ATOM 158 C LEU A 14 1.237 -8.678 -2.264 1.00 0.00 C ATOM 159 O LEU A 14 1.325 -8.447 -1.058 1.00 0.00 O ATOM 160 CB LEU A 14 1.649 -10.841 -3.450 1.00 0.00 C ATOM 161 CG LEU A 14 1.116 -11.947 -4.361 1.00 0.00 C ATOM 162 CD1 LEU A 14 0.826 -11.401 -5.751 1.00 0.00 C ATOM 163 CD2 LEU A 14 2.106 -13.100 -4.436 1.00 0.00 C ATOM 0 H LEU A 14 -0.200 -9.524 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 14 0.180 -10.502 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.303 -10.197 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.265 -11.300 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 14 0.184 -12.321 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.448 -12.203 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.080 -10.609 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.743 -10.999 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.710 -13.878 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.054 -12.740 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.264 -13.509 -3.438 1.00 0.00 H new ATOM 175 N LYS A 15 1.682 -7.839 -3.194 1.00 0.00 N ATOM 176 CA LYS A 15 2.313 -6.572 -2.844 1.00 0.00 C ATOM 177 C LYS A 15 1.525 -5.856 -1.752 1.00 0.00 C ATOM 178 O LYS A 15 2.105 -5.271 -0.837 1.00 0.00 O ATOM 179 CB LYS A 15 2.424 -5.676 -4.079 1.00 0.00 C ATOM 180 CG LYS A 15 3.718 -5.864 -4.852 1.00 0.00 C ATOM 181 CD LYS A 15 4.807 -4.931 -4.352 1.00 0.00 C ATOM 182 CE LYS A 15 4.511 -3.484 -4.714 1.00 0.00 C ATOM 183 NZ LYS A 15 5.747 -2.653 -4.738 1.00 0.00 N ATOM 0 H LYS A 15 1.617 -8.014 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 15 3.313 -6.784 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.582 -5.878 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.343 -4.634 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.052 -6.897 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.540 -5.681 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.899 -5.025 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.765 -5.226 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.029 -3.446 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.807 -3.067 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.675 -1.903 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.572 -3.252 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.858 -2.223 -5.678 1.00 0.00 H new ATOM 197 N TRP A 16 0.202 -5.906 -1.854 1.00 0.00 N ATOM 198 CA TRP A 16 -0.665 -5.262 -0.873 1.00 0.00 C ATOM 199 C TRP A 16 -0.472 -5.875 0.510 1.00 0.00 C ATOM 200 O TRP A 16 -0.106 -5.182 1.458 1.00 0.00 O ATOM 201 CB TRP A 16 -2.129 -5.385 -1.299 1.00 0.00 C ATOM 202 CG TRP A 16 -2.461 -4.586 -2.523 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.598 -4.199 -3.508 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.747 -4.076 -2.891 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.270 -3.479 -4.466 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.590 -3.390 -4.111 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.017 -4.133 -2.309 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.654 -2.766 -4.757 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.072 -3.514 -2.951 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.886 -2.838 -4.165 1.00 0.00 C ATOM 0 H TRP A 16 -0.294 -6.385 -2.605 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.395 -4.207 -0.823 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.359 -6.434 -1.485 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.767 -5.060 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.542 -4.426 -3.531 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -1.854 -3.076 -5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.170 -4.652 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.512 -2.244 -5.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.057 -3.551 -2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.731 -2.365 -4.642 1.00 0.00 H new ATOM 221 N GLU A 17 -0.720 -7.176 0.616 1.00 0.00 N ATOM 222 CA GLU A 17 -0.573 -7.880 1.884 1.00 0.00 C ATOM 223 C GLU A 17 0.734 -7.496 2.571 1.00 0.00 C ATOM 224 O GLU A 17 0.818 -7.462 3.799 1.00 0.00 O ATOM 225 CB GLU A 17 -0.619 -9.393 1.662 1.00 0.00 C ATOM 226 CG GLU A 17 -0.410 -10.202 2.931 1.00 0.00 C ATOM 227 CD GLU A 17 -1.324 -9.765 4.059 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.135 -8.642 4.573 1.00 0.00 O ATOM 229 OE2 GLU A 17 -2.227 -10.544 4.428 1.00 0.00 O ATOM 0 H GLU A 17 -1.024 -7.764 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.402 -7.589 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.582 -9.659 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.146 -9.668 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.582 -11.257 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.627 -10.107 3.251 1.00 0.00 H new ATOM 236 N LYS A 18 1.754 -7.208 1.770 1.00 0.00 N ATOM 237 CA LYS A 18 3.058 -6.825 2.299 1.00 0.00 C ATOM 238 C LYS A 18 3.062 -5.363 2.733 1.00 0.00 C ATOM 239 O LYS A 18 3.545 -5.029 3.814 1.00 0.00 O ATOM 240 CB LYS A 18 4.146 -7.058 1.247 1.00 0.00 C ATOM 241 CG LYS A 18 4.207 -8.489 0.742 1.00 0.00 C ATOM 242 CD LYS A 18 4.833 -9.417 1.769 1.00 0.00 C ATOM 243 CE LYS A 18 6.348 -9.282 1.793 1.00 0.00 C ATOM 244 NZ LYS A 18 6.997 -10.433 2.479 1.00 0.00 N ATOM 0 H LYS A 18 1.703 -7.233 0.752 1.00 0.00 H new ATOM 0 HA LYS A 18 3.264 -7.445 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.972 -6.391 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.113 -6.790 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.201 -8.835 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.784 -8.525 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.431 -9.192 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.562 -10.448 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.722 -9.210 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.622 -8.356 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.029 -10.303 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.659 -10.487 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.757 -11.314 1.981 1.00 0.00 H new ATOM 258 N GLU A 19 2.518 -4.496 1.883 1.00 0.00 N ATOM 259 CA GLU A 19 2.459 -3.070 2.182 1.00 0.00 C ATOM 260 C GLU A 19 1.519 -2.798 3.353 1.00 0.00 C ATOM 261 O GLU A 19 1.635 -1.777 4.029 1.00 0.00 O ATOM 262 CB GLU A 19 1.998 -2.288 0.950 1.00 0.00 C ATOM 263 CG GLU A 19 2.991 -2.319 -0.199 1.00 0.00 C ATOM 264 CD GLU A 19 4.428 -2.430 0.275 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.783 -3.480 0.851 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.196 -1.467 0.071 1.00 0.00 O ATOM 0 H GLU A 19 2.113 -4.756 0.984 1.00 0.00 H new ATOM 0 HA GLU A 19 3.460 -2.740 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.046 -2.695 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.818 -1.251 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.761 -3.162 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.878 -1.414 -0.796 1.00 0.00 H new ATOM 273 N GLU A 20 0.589 -3.719 3.584 1.00 0.00 N ATOM 274 CA GLU A 20 -0.372 -3.577 4.671 1.00 0.00 C ATOM 275 C GLU A 20 0.340 -3.491 6.018 1.00 0.00 C ATOM 276 O GLU A 20 -0.229 -3.025 7.005 1.00 0.00 O ATOM 277 CB GLU A 20 -1.350 -4.754 4.674 1.00 0.00 C ATOM 278 CG GLU A 20 -2.596 -4.511 3.839 1.00 0.00 C ATOM 279 CD GLU A 20 -3.680 -3.779 4.607 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.117 -4.298 5.655 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.090 -2.687 4.160 1.00 0.00 O ATOM 0 H GLU A 20 0.481 -4.571 3.033 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.927 -2.653 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.839 -5.641 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.647 -4.967 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.329 -3.933 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.986 -5.467 3.489 1.00 0.00 H new ATOM 288 N ALA A 21 1.589 -3.944 6.051 1.00 0.00 N ATOM 289 CA ALA A 21 2.380 -3.917 7.275 1.00 0.00 C ATOM 290 C ALA A 21 3.148 -2.606 7.403 1.00 0.00 C ATOM 291 O ALA A 21 3.250 -2.037 8.491 1.00 0.00 O ATOM 292 CB ALA A 21 3.338 -5.098 7.310 1.00 0.00 C ATOM 0 H ALA A 21 2.075 -4.334 5.244 1.00 0.00 H new ATOM 0 HA ALA A 21 1.697 -3.992 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.922 -5.065 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.771 -6.028 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.008 -5.048 6.452 1.00 0.00 H new ATOM 298 N LEU A 22 3.689 -2.130 6.286 1.00 0.00 N ATOM 299 CA LEU A 22 4.450 -0.886 6.274 1.00 0.00 C ATOM 300 C LEU A 22 3.587 0.284 6.737 1.00 0.00 C ATOM 301 O LEU A 22 4.096 1.278 7.253 1.00 0.00 O ATOM 302 CB LEU A 22 4.992 -0.611 4.870 1.00 0.00 C ATOM 303 CG LEU A 22 5.858 -1.712 4.258 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.923 -1.561 2.746 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.256 -1.686 4.858 1.00 0.00 C ATOM 0 H LEU A 22 3.614 -2.587 5.377 1.00 0.00 H new ATOM 0 HA LEU A 22 5.286 -0.993 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.147 -0.429 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.577 0.308 4.902 1.00 0.00 H new ATOM 0 HG LEU A 22 5.403 -2.676 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.544 -2.353 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.918 -1.629 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.354 -0.592 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.859 -2.476 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.719 -0.720 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.193 -1.843 5.935 1.00 0.00 H new ATOM 317 N GLY A 23 2.277 0.157 6.549 1.00 0.00 N ATOM 318 CA GLY A 23 1.364 1.210 6.955 1.00 0.00 C ATOM 319 C GLY A 23 1.548 2.480 6.147 1.00 0.00 C ATOM 320 O GLY A 23 1.381 2.477 4.928 1.00 0.00 O ATOM 0 H GLY A 23 1.832 -0.656 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.338 0.859 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.515 1.430 8.012 1.00 0.00 H new ATOM 324 N GLU A 24 1.891 3.568 6.829 1.00 0.00 N ATOM 325 CA GLU A 24 2.095 4.851 6.166 1.00 0.00 C ATOM 326 C GLU A 24 3.213 4.757 5.131 1.00 0.00 C ATOM 327 O GLU A 24 3.359 5.633 4.279 1.00 0.00 O ATOM 328 CB GLU A 24 2.427 5.934 7.194 1.00 0.00 C ATOM 329 CG GLU A 24 1.369 6.094 8.273 1.00 0.00 C ATOM 330 CD GLU A 24 1.942 6.602 9.582 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.792 7.517 9.542 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.542 6.085 10.646 1.00 0.00 O ATOM 0 H GLU A 24 2.033 3.587 7.839 1.00 0.00 H new ATOM 0 HA GLU A 24 1.170 5.117 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.381 5.696 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.555 6.886 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.602 6.785 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.881 5.134 8.443 1.00 0.00 H new ATOM 339 N MET A 25 3.999 3.689 5.214 1.00 0.00 N ATOM 340 CA MET A 25 5.103 3.480 4.284 1.00 0.00 C ATOM 341 C MET A 25 4.642 2.695 3.060 1.00 0.00 C ATOM 342 O MET A 25 5.386 2.546 2.091 1.00 0.00 O ATOM 343 CB MET A 25 6.248 2.739 4.978 1.00 0.00 C ATOM 344 CG MET A 25 7.261 3.664 5.633 1.00 0.00 C ATOM 345 SD MET A 25 8.925 2.970 5.651 1.00 0.00 S ATOM 346 CE MET A 25 9.127 2.530 3.927 1.00 0.00 C ATOM 0 H MET A 25 3.892 2.955 5.915 1.00 0.00 H new ATOM 0 HA MET A 25 5.458 4.457 3.954 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.833 2.073 5.735 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.760 2.112 4.248 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.274 4.616 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.948 3.874 6.656 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.178 2.616 3.650 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.794 1.504 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.532 3.202 3.308 1.00 0.00 H new ATOM 356 N ALA A 26 3.412 2.196 3.111 1.00 0.00 N ATOM 357 CA ALA A 26 2.852 1.429 2.006 1.00 0.00 C ATOM 358 C ALA A 26 3.230 2.045 0.663 1.00 0.00 C ATOM 359 O ALA A 26 2.903 3.199 0.383 1.00 0.00 O ATOM 360 CB ALA A 26 1.339 1.337 2.140 1.00 0.00 C ATOM 0 H ALA A 26 2.784 2.309 3.907 1.00 0.00 H new ATOM 0 HA ALA A 26 3.271 0.423 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.934 0.761 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.086 0.844 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.911 2.339 2.130 1.00 0.00 H new ATOM 366 N THR A 27 3.921 1.269 -0.166 1.00 0.00 N ATOM 367 CA THR A 27 4.345 1.739 -1.478 1.00 0.00 C ATOM 368 C THR A 27 3.182 1.742 -2.463 1.00 0.00 C ATOM 369 O THR A 27 3.361 2.017 -3.650 1.00 0.00 O ATOM 370 CB THR A 27 5.481 0.867 -2.047 1.00 0.00 C ATOM 371 OG1 THR A 27 5.001 -0.456 -2.306 1.00 0.00 O ATOM 372 CG2 THR A 27 6.653 0.807 -1.079 1.00 0.00 C ATOM 0 H THR A 27 4.199 0.311 0.049 1.00 0.00 H new ATOM 0 HA THR A 27 4.709 2.758 -1.346 1.00 0.00 H new ATOM 0 HB THR A 27 5.823 1.317 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.356 -1.071 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.443 0.186 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.035 1.813 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.322 0.379 -0.133 1.00 0.00 H new ATOM 380 N VAL A 28 1.988 1.437 -1.964 1.00 0.00 N ATOM 381 CA VAL A 28 0.794 1.407 -2.800 1.00 0.00 C ATOM 382 C VAL A 28 -0.104 2.606 -2.517 1.00 0.00 C ATOM 383 O VAL A 28 -0.027 3.215 -1.451 1.00 0.00 O ATOM 384 CB VAL A 28 -0.011 0.113 -2.582 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.794 -0.247 -3.836 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.911 -1.026 -2.175 1.00 0.00 C ATOM 0 H VAL A 28 1.822 1.207 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 28 1.131 1.446 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.723 0.281 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.357 -1.164 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.484 0.561 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.103 -0.396 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.325 -1.933 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.648 -1.196 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.422 -0.767 -1.248 1.00 0.00 H new ATOM 396 N ALA A 29 -0.957 2.939 -3.481 1.00 0.00 N ATOM 397 CA ALA A 29 -1.873 4.063 -3.335 1.00 0.00 C ATOM 398 C ALA A 29 -3.000 3.731 -2.363 1.00 0.00 C ATOM 399 O ALA A 29 -3.191 4.396 -1.345 1.00 0.00 O ATOM 400 CB ALA A 29 -2.442 4.460 -4.689 1.00 0.00 C ATOM 0 H ALA A 29 -1.032 2.446 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.313 4.905 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.125 5.301 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.629 4.748 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.981 3.616 -5.119 1.00 0.00 H new ATOM 406 N PRO A 30 -3.767 2.677 -2.682 1.00 0.00 N ATOM 407 CA PRO A 30 -4.888 2.233 -1.850 1.00 0.00 C ATOM 408 C PRO A 30 -4.425 1.621 -0.532 1.00 0.00 C ATOM 409 O PRO A 30 -4.887 2.010 0.541 1.00 0.00 O ATOM 410 CB PRO A 30 -5.577 1.177 -2.717 1.00 0.00 C ATOM 411 CG PRO A 30 -4.506 0.670 -3.619 1.00 0.00 C ATOM 412 CD PRO A 30 -3.597 1.839 -3.880 1.00 0.00 C ATOM 0 HA PRO A 30 -5.538 3.061 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.994 0.375 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.402 1.608 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.961 -0.152 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.927 0.288 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.561 1.523 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.879 2.373 -4.787 1.00 0.00 H new ATOM 420 N VAL A 31 -3.510 0.661 -0.620 1.00 0.00 N ATOM 421 CA VAL A 31 -2.983 -0.004 0.566 1.00 0.00 C ATOM 422 C VAL A 31 -2.396 1.005 1.547 1.00 0.00 C ATOM 423 O VAL A 31 -2.208 0.704 2.726 1.00 0.00 O ATOM 424 CB VAL A 31 -1.900 -1.035 0.197 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.672 -2.004 1.346 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.285 -1.780 -1.072 1.00 0.00 C ATOM 0 H VAL A 31 -3.118 0.326 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.819 -0.520 1.037 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.966 -0.505 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.904 -2.725 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.348 -1.452 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.600 -2.531 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.509 -2.504 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.230 -2.300 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.392 -1.070 -1.892 1.00 0.00 H new ATOM 436 N LEU A 32 -2.108 2.204 1.052 1.00 0.00 N ATOM 437 CA LEU A 32 -1.542 3.260 1.885 1.00 0.00 C ATOM 438 C LEU A 32 -2.643 4.109 2.510 1.00 0.00 C ATOM 439 O LEU A 32 -2.651 4.342 3.719 1.00 0.00 O ATOM 440 CB LEU A 32 -0.608 4.144 1.056 1.00 0.00 C ATOM 441 CG LEU A 32 -0.234 5.491 1.676 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.483 5.287 3.002 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.630 6.298 0.718 1.00 0.00 C ATOM 0 H LEU A 32 -2.257 2.469 0.078 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.972 2.791 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.310 3.588 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.078 4.329 0.090 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.151 6.050 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.742 6.256 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.170 4.750 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.392 4.708 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.886 7.253 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.543 5.745 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.080 6.475 -0.207 1.00 0.00 H new ATOM 455 N TYR A 33 -3.573 4.568 1.680 1.00 0.00 N ATOM 456 CA TYR A 33 -4.680 5.391 2.151 1.00 0.00 C ATOM 457 C TYR A 33 -5.365 4.748 3.353 1.00 0.00 C ATOM 458 O TYR A 33 -5.486 5.358 4.416 1.00 0.00 O ATOM 459 CB TYR A 33 -5.695 5.610 1.028 1.00 0.00 C ATOM 460 CG TYR A 33 -7.046 6.083 1.517 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.990 5.182 1.991 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.377 7.433 1.504 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.226 5.609 2.437 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.609 7.870 1.950 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.530 6.954 2.415 1.00 0.00 C ATOM 466 OH TYR A 33 -10.759 7.385 2.860 1.00 0.00 O ATOM 0 H TYR A 33 -3.582 4.384 0.677 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.276 6.355 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.295 6.342 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.823 4.678 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.754 4.128 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.659 8.152 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.949 4.894 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.850 8.923 1.935 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.813 8.360 2.779 1.00 0.00 H new ATOM 476 N THR A 34 -5.812 3.508 3.177 1.00 0.00 N ATOM 477 CA THR A 34 -6.485 2.780 4.245 1.00 0.00 C ATOM 478 C THR A 34 -5.594 2.660 5.476 1.00 0.00 C ATOM 479 O THR A 34 -6.053 2.826 6.605 1.00 0.00 O ATOM 480 CB THR A 34 -6.902 1.369 3.787 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.857 0.780 3.005 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.185 1.421 2.972 1.00 0.00 C ATOM 0 H THR A 34 -5.720 2.987 2.305 1.00 0.00 H new ATOM 0 HA THR A 34 -7.378 3.350 4.501 1.00 0.00 H new ATOM 0 HB THR A 34 -7.079 0.760 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.770 -0.168 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.459 0.413 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.985 1.843 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.031 2.044 2.091 1.00 0.00 H new ATOM 490 N ASN A 35 -4.317 2.371 5.250 1.00 0.00 N ATOM 491 CA ASN A 35 -3.360 2.229 6.341 1.00 0.00 C ATOM 492 C ASN A 35 -3.402 3.444 7.263 1.00 0.00 C ATOM 493 O ASN A 35 -3.202 3.325 8.472 1.00 0.00 O ATOM 494 CB ASN A 35 -1.946 2.043 5.787 1.00 0.00 C ATOM 495 CG ASN A 35 -1.602 0.584 5.556 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.200 -0.309 6.157 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.634 0.336 4.682 1.00 0.00 N ATOM 0 H ASN A 35 -3.921 2.230 4.321 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.635 1.347 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.852 2.589 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.227 2.477 6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.359 -0.626 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.166 1.108 4.207 1.00 0.00 H new ATOM 504 N ILE A 36 -3.664 4.610 6.683 1.00 0.00 N ATOM 505 CA ILE A 36 -3.734 5.846 7.452 1.00 0.00 C ATOM 506 C ILE A 36 -5.154 6.109 7.943 1.00 0.00 C ATOM 507 O ILE A 36 -5.403 6.181 9.146 1.00 0.00 O ATOM 508 CB ILE A 36 -3.259 7.053 6.622 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.805 6.859 6.185 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.409 8.339 7.423 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.349 7.855 5.143 1.00 0.00 C ATOM 0 H ILE A 36 -3.831 4.725 5.683 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.073 5.722 8.309 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.880 7.128 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.158 6.938 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.685 5.851 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.069 9.183 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.456 8.482 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.809 8.274 8.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.310 7.657 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.972 7.761 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.437 8.865 5.542 1.00 0.00 H new ATOM 523 N ASN A 37 -6.083 6.249 7.003 1.00 0.00 N ATOM 524 CA ASN A 37 -7.479 6.502 7.339 1.00 0.00 C ATOM 525 C ASN A 37 -8.016 5.427 8.279 1.00 0.00 C ATOM 526 O ASN A 37 -8.596 5.731 9.321 1.00 0.00 O ATOM 527 CB ASN A 37 -8.330 6.557 6.069 1.00 0.00 C ATOM 528 CG ASN A 37 -8.277 7.914 5.395 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.228 8.147 4.614 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -9.169 8.744 5.574 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.894 6.191 6.002 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.535 7.465 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.985 5.794 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.364 6.318 6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.957 8.523 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.120 9.653 5.114 1.00 0.00 H new ATOM 537 N PHE A 38 -7.818 4.168 7.902 1.00 0.00 N ATOM 538 CA PHE A 38 -8.282 3.046 8.710 1.00 0.00 C ATOM 539 C PHE A 38 -7.115 2.374 9.429 1.00 0.00 C ATOM 540 O PHE A 38 -6.477 1.459 8.909 1.00 0.00 O ATOM 541 CB PHE A 38 -9.011 2.026 7.834 1.00 0.00 C ATOM 542 CG PHE A 38 -10.305 2.538 7.268 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.309 3.391 6.175 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.517 2.168 7.828 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.497 3.864 5.652 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.708 2.638 7.309 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.699 3.487 6.220 1.00 0.00 C ATOM 0 H PHE A 38 -7.339 3.899 7.042 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.974 3.432 9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.357 1.730 7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.210 1.130 8.422 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.373 3.689 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.531 1.505 8.680 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.486 4.528 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.646 2.341 7.755 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.629 3.855 5.813 1.00 0.00 H new ATOM 557 N PRO A 39 -6.829 2.839 10.654 1.00 0.00 N ATOM 558 CA PRO A 39 -5.739 2.298 11.471 1.00 0.00 C ATOM 559 C PRO A 39 -6.032 0.887 11.968 1.00 0.00 C ATOM 560 O PRO A 39 -5.150 0.030 11.987 1.00 0.00 O ATOM 561 CB PRO A 39 -5.659 3.274 12.648 1.00 0.00 C ATOM 562 CG PRO A 39 -7.024 3.863 12.744 1.00 0.00 C ATOM 563 CD PRO A 39 -7.548 3.928 11.336 1.00 0.00 C ATOM 0 HA PRO A 39 -4.811 2.213 10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.383 2.761 13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.907 4.044 12.474 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.670 3.250 13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.990 4.855 13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.627 3.780 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.344 4.895 10.875 1.00 0.00 H new ATOM 571 N ASN A 40 -7.277 0.653 12.370 1.00 0.00 N ATOM 572 CA ASN A 40 -7.686 -0.655 12.868 1.00 0.00 C ATOM 573 C ASN A 40 -8.329 -1.483 11.758 1.00 0.00 C ATOM 574 O ASN A 40 -9.050 -2.445 12.025 1.00 0.00 O ATOM 575 CB ASN A 40 -8.665 -0.498 14.033 1.00 0.00 C ATOM 576 CG ASN A 40 -9.666 0.618 13.801 1.00 0.00 C ATOM 577 OD1 ASN A 40 -9.395 1.785 14.373 1.00 0.00 O flip ATOM 578 ND2 ASN A 40 -10.671 0.432 13.114 1.00 0.00 N flip ATOM 0 H ASN A 40 -8.020 1.352 12.361 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.795 -1.177 13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.199 -1.436 14.184 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.108 -0.298 14.948 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.839 -0.482 12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.335 1.192 12.966 1.00 0.00 H new ATOM 585 N LEU A 41 -8.061 -1.103 10.514 1.00 0.00 N ATOM 586 CA LEU A 41 -8.612 -1.810 9.363 1.00 0.00 C ATOM 587 C LEU A 41 -8.523 -3.320 9.558 1.00 0.00 C ATOM 588 O LEU A 41 -9.493 -4.044 9.334 1.00 0.00 O ATOM 589 CB LEU A 41 -7.870 -1.404 8.088 1.00 0.00 C ATOM 590 CG LEU A 41 -8.489 -1.878 6.772 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.583 -0.924 6.322 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.419 -2.011 5.698 1.00 0.00 C ATOM 0 H LEU A 41 -7.466 -0.310 10.276 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.663 -1.536 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.800 -0.317 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.851 -1.788 8.146 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.936 -2.859 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.011 -1.278 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.362 -0.879 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.161 0.070 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.877 -2.349 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.943 -1.044 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.670 -2.735 6.018 1.00 0.00 H new ATOM 604 N LYS A 42 -7.353 -3.789 9.978 1.00 0.00 N ATOM 605 CA LYS A 42 -7.136 -5.213 10.207 1.00 0.00 C ATOM 606 C LYS A 42 -8.222 -5.790 11.111 1.00 0.00 C ATOM 607 O LYS A 42 -8.851 -6.793 10.777 1.00 0.00 O ATOM 608 CB LYS A 42 -5.760 -5.446 10.833 1.00 0.00 C ATOM 609 CG LYS A 42 -4.610 -4.934 9.983 1.00 0.00 C ATOM 610 CD LYS A 42 -3.269 -5.421 10.506 1.00 0.00 C ATOM 611 CE LYS A 42 -2.681 -4.452 11.520 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.210 -4.630 11.669 1.00 0.00 N ATOM 0 H LYS A 42 -6.540 -3.203 10.167 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.181 -5.722 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.726 -4.958 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.625 -6.514 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.742 -5.266 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.623 -3.844 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.391 -6.401 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.576 -5.544 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.893 -3.429 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.164 -4.599 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.847 -3.951 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.008 -5.599 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.746 -4.464 10.753 1.00 0.00 H new ATOM 626 N GLU A 43 -8.436 -5.148 12.255 1.00 0.00 N ATOM 627 CA GLU A 43 -9.446 -5.598 13.205 1.00 0.00 C ATOM 628 C GLU A 43 -10.807 -5.737 12.528 1.00 0.00 C ATOM 629 O GLU A 43 -11.405 -6.812 12.530 1.00 0.00 O ATOM 630 CB GLU A 43 -9.546 -4.621 14.379 1.00 0.00 C ATOM 631 CG GLU A 43 -8.262 -4.502 15.182 1.00 0.00 C ATOM 632 CD GLU A 43 -8.485 -3.887 16.550 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.234 -4.483 17.353 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.911 -2.811 16.819 1.00 0.00 O ATOM 0 H GLU A 43 -7.924 -4.315 12.546 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.144 -6.576 13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.820 -3.637 13.999 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.350 -4.942 15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.819 -5.491 15.300 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.546 -3.896 14.627 1.00 0.00 H new ATOM 641 N GLU A 44 -11.288 -4.641 11.949 1.00 0.00 N ATOM 642 CA GLU A 44 -12.578 -4.640 11.270 1.00 0.00 C ATOM 643 C GLU A 44 -12.688 -5.822 10.310 1.00 0.00 C ATOM 644 O GLU A 44 -13.733 -6.466 10.219 1.00 0.00 O ATOM 645 CB GLU A 44 -12.777 -3.329 10.506 1.00 0.00 C ATOM 646 CG GLU A 44 -13.368 -2.215 11.353 1.00 0.00 C ATOM 647 CD GLU A 44 -12.754 -2.147 12.738 1.00 0.00 C ATOM 648 OE1 GLU A 44 -11.516 -2.269 12.844 1.00 0.00 O ATOM 649 OE2 GLU A 44 -13.511 -1.971 13.715 1.00 0.00 O ATOM 0 H GLU A 44 -10.804 -3.743 11.937 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.358 -4.733 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.817 -3.001 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.430 -3.511 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.220 -1.261 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.444 -2.364 11.444 1.00 0.00 H new ATOM 656 N PHE A 45 -11.602 -6.100 9.597 1.00 0.00 N ATOM 657 CA PHE A 45 -11.576 -7.203 8.643 1.00 0.00 C ATOM 658 C PHE A 45 -10.292 -8.014 8.785 1.00 0.00 C ATOM 659 O PHE A 45 -9.260 -7.699 8.192 1.00 0.00 O ATOM 660 CB PHE A 45 -11.702 -6.672 7.214 1.00 0.00 C ATOM 661 CG PHE A 45 -12.796 -5.657 7.045 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.565 -4.318 7.318 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.056 -6.041 6.615 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.570 -3.381 7.164 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.064 -5.109 6.459 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.821 -3.778 6.735 1.00 0.00 C ATOM 0 H PHE A 45 -10.729 -5.577 9.661 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.423 -7.856 8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.754 -6.225 6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.886 -7.508 6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.589 -4.003 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.252 -7.081 6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.377 -2.340 7.379 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.041 -5.421 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.608 -3.048 6.615 1.00 0.00 H new ATOM 676 N PRO A 46 -10.355 -9.085 9.590 1.00 0.00 N ATOM 677 CA PRO A 46 -9.207 -9.965 9.829 1.00 0.00 C ATOM 678 C PRO A 46 -8.841 -10.788 8.599 1.00 0.00 C ATOM 679 O PRO A 46 -7.667 -10.910 8.248 1.00 0.00 O ATOM 680 CB PRO A 46 -9.688 -10.877 10.960 1.00 0.00 C ATOM 681 CG PRO A 46 -11.172 -10.885 10.834 1.00 0.00 C ATOM 682 CD PRO A 46 -11.552 -9.521 10.328 1.00 0.00 C ATOM 0 HA PRO A 46 -8.306 -9.402 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.277 -11.882 10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.375 -10.499 11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.501 -11.663 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.644 -11.090 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.429 -9.562 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.790 -8.841 11.146 1.00 0.00 H new ATOM 690 N ASP A 47 -9.853 -11.352 7.948 1.00 0.00 N ATOM 691 CA ASP A 47 -9.638 -12.164 6.756 1.00 0.00 C ATOM 692 C ASP A 47 -9.192 -11.297 5.582 1.00 0.00 C ATOM 693 O ASP A 47 -9.985 -10.543 5.018 1.00 0.00 O ATOM 694 CB ASP A 47 -10.915 -12.921 6.391 1.00 0.00 C ATOM 695 CG ASP A 47 -11.567 -13.571 7.595 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.160 -14.695 7.955 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.485 -12.956 8.178 1.00 0.00 O ATOM 0 H ASP A 47 -10.830 -11.262 8.226 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.849 -12.884 6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.621 -12.233 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.681 -13.686 5.651 1.00 0.00 H new ATOM 702 N TRP A 48 -7.919 -11.410 5.220 1.00 0.00 N ATOM 703 CA TRP A 48 -7.368 -10.635 4.114 1.00 0.00 C ATOM 704 C TRP A 48 -8.316 -10.642 2.920 1.00 0.00 C ATOM 705 O TRP A 48 -8.834 -9.599 2.519 1.00 0.00 O ATOM 706 CB TRP A 48 -6.005 -11.194 3.702 1.00 0.00 C ATOM 707 CG TRP A 48 -5.435 -10.534 2.484 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.085 -11.140 1.311 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.149 -9.141 2.319 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.597 -10.207 0.427 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.627 -8.973 1.021 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.284 -8.018 3.140 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.241 -7.729 0.529 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.900 -6.784 2.651 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.384 -6.648 1.355 1.00 0.00 C ATOM 0 H TRP A 48 -7.250 -12.030 5.676 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.244 -9.606 4.450 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.307 -11.076 4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.101 -12.264 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.178 -12.197 1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.266 -10.402 -0.518 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.682 -8.113 4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.843 -7.621 -0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.999 -5.910 3.278 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.093 -5.670 1.001 1.00 0.00 H new ATOM 726 N THR A 49 -8.539 -11.823 2.353 1.00 0.00 N ATOM 727 CA THR A 49 -9.424 -11.965 1.204 1.00 0.00 C ATOM 728 C THR A 49 -10.682 -11.121 1.371 1.00 0.00 C ATOM 729 O THR A 49 -11.314 -10.727 0.390 1.00 0.00 O ATOM 730 CB THR A 49 -9.831 -13.434 0.985 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.709 -14.293 1.222 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.350 -13.648 -0.429 1.00 0.00 C ATOM 0 H THR A 49 -8.118 -12.696 2.671 1.00 0.00 H new ATOM 0 HA THR A 49 -8.868 -11.616 0.333 1.00 0.00 H new ATOM 0 HB THR A 49 -10.629 -13.675 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.976 -15.226 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.631 -14.693 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.221 -13.014 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.570 -13.390 -1.146 1.00 0.00 H new ATOM 740 N THR A 50 -11.041 -10.844 2.621 1.00 0.00 N ATOM 741 CA THR A 50 -12.225 -10.046 2.917 1.00 0.00 C ATOM 742 C THR A 50 -11.866 -8.575 3.094 1.00 0.00 C ATOM 743 O THR A 50 -12.624 -7.690 2.697 1.00 0.00 O ATOM 744 CB THR A 50 -12.935 -10.546 4.189 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.407 -11.884 3.992 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.102 -9.639 4.549 1.00 0.00 C ATOM 0 H THR A 50 -10.529 -11.160 3.444 1.00 0.00 H new ATOM 0 HA THR A 50 -12.899 -10.153 2.067 1.00 0.00 H new ATOM 0 HB THR A 50 -12.217 -10.531 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.856 -12.196 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.588 -10.012 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.736 -8.628 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.820 -9.626 3.729 1.00 0.00 H new ATOM 754 N ARG A 51 -10.707 -8.321 3.692 1.00 0.00 N ATOM 755 CA ARG A 51 -10.248 -6.957 3.921 1.00 0.00 C ATOM 756 C ARG A 51 -9.831 -6.295 2.611 1.00 0.00 C ATOM 757 O ARG A 51 -10.281 -5.196 2.288 1.00 0.00 O ATOM 758 CB ARG A 51 -9.076 -6.948 4.905 1.00 0.00 C ATOM 759 CG ARG A 51 -8.430 -5.582 5.071 1.00 0.00 C ATOM 760 CD ARG A 51 -7.660 -5.486 6.378 1.00 0.00 C ATOM 761 NE ARG A 51 -6.294 -5.986 6.247 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.965 -7.267 6.372 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.899 -8.172 6.630 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.700 -7.645 6.239 1.00 0.00 N ATOM 0 H ARG A 51 -10.068 -9.043 4.027 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.076 -6.390 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.426 -7.295 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.322 -7.658 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.756 -5.393 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.198 -4.809 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.636 -4.448 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.182 -6.054 7.148 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.552 -5.315 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.872 -7.885 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.644 -9.155 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.979 -6.952 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.449 -8.629 6.335 1.00 0.00 H new ATOM 778 N VAL A 52 -8.968 -6.973 1.861 1.00 0.00 N ATOM 779 CA VAL A 52 -8.491 -6.452 0.585 1.00 0.00 C ATOM 780 C VAL A 52 -9.623 -5.803 -0.202 1.00 0.00 C ATOM 781 O VAL A 52 -9.402 -4.873 -0.979 1.00 0.00 O ATOM 782 CB VAL A 52 -7.855 -7.563 -0.272 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.871 -8.655 -0.569 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.291 -6.983 -1.561 1.00 0.00 C ATOM 0 H VAL A 52 -8.585 -7.884 2.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.735 -5.701 0.813 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.034 -8.007 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.404 -9.431 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.223 -9.088 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.715 -8.229 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.845 -7.781 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.093 -6.512 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.530 -6.240 -1.323 1.00 0.00 H new ATOM 794 N LYS A 53 -10.839 -6.297 0.004 1.00 0.00 N ATOM 795 CA LYS A 53 -12.009 -5.765 -0.684 1.00 0.00 C ATOM 796 C LYS A 53 -12.338 -4.359 -0.191 1.00 0.00 C ATOM 797 O LYS A 53 -12.606 -3.460 -0.988 1.00 0.00 O ATOM 798 CB LYS A 53 -13.213 -6.686 -0.473 1.00 0.00 C ATOM 799 CG LYS A 53 -13.037 -8.067 -1.080 1.00 0.00 C ATOM 800 CD LYS A 53 -14.124 -9.022 -0.618 1.00 0.00 C ATOM 801 CE LYS A 53 -14.283 -10.192 -1.577 1.00 0.00 C ATOM 802 NZ LYS A 53 -15.487 -11.009 -1.260 1.00 0.00 N ATOM 0 H LYS A 53 -11.040 -7.066 0.643 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.781 -5.713 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.398 -6.789 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.098 -6.218 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.055 -7.992 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.060 -8.465 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.882 -9.396 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.070 -8.486 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.357 -9.817 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.395 -10.822 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.560 -11.796 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.405 -11.388 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.338 -10.414 -1.328 1.00 0.00 H new ATOM 816 N GLN A 54 -12.314 -4.178 1.125 1.00 0.00 N ATOM 817 CA GLN A 54 -12.609 -2.881 1.723 1.00 0.00 C ATOM 818 C GLN A 54 -11.640 -1.817 1.219 1.00 0.00 C ATOM 819 O GLN A 54 -11.995 -0.643 1.109 1.00 0.00 O ATOM 820 CB GLN A 54 -12.539 -2.971 3.248 1.00 0.00 C ATOM 821 CG GLN A 54 -13.590 -3.887 3.853 1.00 0.00 C ATOM 822 CD GLN A 54 -14.995 -3.334 3.715 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.219 -2.144 4.259 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.870 -3.970 3.125 1.00 0.00 N flip ATOM 0 H GLN A 54 -12.093 -4.912 1.798 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.619 -2.595 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.550 -3.326 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.655 -1.972 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.538 -4.862 3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.367 -4.043 4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.654 -4.882 2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.811 -3.585 3.040 1.00 0.00 H new ATOM 833 N ILE A 55 -10.415 -2.235 0.916 1.00 0.00 N ATOM 834 CA ILE A 55 -9.396 -1.317 0.423 1.00 0.00 C ATOM 835 C ILE A 55 -9.739 -0.813 -0.975 1.00 0.00 C ATOM 836 O ILE A 55 -9.456 0.334 -1.319 1.00 0.00 O ATOM 837 CB ILE A 55 -8.007 -1.982 0.391 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.573 -2.375 1.804 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.987 -1.048 -0.243 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.389 -3.316 1.833 1.00 0.00 C ATOM 0 H ILE A 55 -10.105 -3.203 1.003 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.370 -0.474 1.114 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.067 -2.886 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.324 -1.473 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.413 -2.845 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.011 -1.532 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.292 -0.814 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.926 -0.127 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.137 -3.552 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.641 -4.234 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.535 -2.841 1.350 1.00 0.00 H new ATOM 852 N ALA A 56 -10.351 -1.679 -1.776 1.00 0.00 N ATOM 853 CA ALA A 56 -10.736 -1.321 -3.136 1.00 0.00 C ATOM 854 C ALA A 56 -11.938 -0.382 -3.136 1.00 0.00 C ATOM 855 O ALA A 56 -11.954 0.622 -3.850 1.00 0.00 O ATOM 856 CB ALA A 56 -11.042 -2.573 -3.944 1.00 0.00 C ATOM 0 H ALA A 56 -10.591 -2.633 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.899 -0.798 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.328 -2.291 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.157 -3.208 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.861 -3.118 -3.474 1.00 0.00 H new ATOM 862 N LYS A 57 -12.943 -0.714 -2.334 1.00 0.00 N ATOM 863 CA LYS A 57 -14.149 0.100 -2.241 1.00 0.00 C ATOM 864 C LYS A 57 -13.843 1.458 -1.617 1.00 0.00 C ATOM 865 O LYS A 57 -14.232 2.499 -2.148 1.00 0.00 O ATOM 866 CB LYS A 57 -15.215 -0.624 -1.415 1.00 0.00 C ATOM 867 CG LYS A 57 -14.963 -0.573 0.082 1.00 0.00 C ATOM 868 CD LYS A 57 -16.027 -1.337 0.853 1.00 0.00 C ATOM 869 CE LYS A 57 -17.220 -0.452 1.182 1.00 0.00 C ATOM 870 NZ LYS A 57 -16.895 0.546 2.238 1.00 0.00 N ATOM 0 H LYS A 57 -12.947 -1.542 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.527 0.261 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.189 -0.182 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.262 -1.666 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.981 -0.993 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.947 0.465 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.359 -2.193 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.598 -1.729 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.547 0.066 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.053 -1.073 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.776 0.928 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.343 0.087 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.338 1.321 1.824 1.00 0.00 H new ATOM 884 N LEU A 58 -13.143 1.440 -0.488 1.00 0.00 N ATOM 885 CA LEU A 58 -12.783 2.671 0.208 1.00 0.00 C ATOM 886 C LEU A 58 -11.859 3.531 -0.649 1.00 0.00 C ATOM 887 O LEU A 58 -11.814 4.751 -0.498 1.00 0.00 O ATOM 888 CB LEU A 58 -12.106 2.347 1.541 1.00 0.00 C ATOM 889 CG LEU A 58 -12.952 1.574 2.553 1.00 0.00 C ATOM 890 CD1 LEU A 58 -12.070 0.968 3.633 1.00 0.00 C ATOM 891 CD2 LEU A 58 -14.006 2.481 3.170 1.00 0.00 C ATOM 0 H LEU A 58 -12.814 0.587 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.698 3.232 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.204 1.771 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.789 3.283 2.002 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.460 0.764 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.689 0.422 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.353 0.285 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.534 1.762 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.599 1.914 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.518 3.312 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.658 2.867 2.386 1.00 0.00 H new ATOM 903 N TRP A 59 -11.125 2.886 -1.549 1.00 0.00 N ATOM 904 CA TRP A 59 -10.204 3.592 -2.432 1.00 0.00 C ATOM 905 C TRP A 59 -10.949 4.226 -3.601 1.00 0.00 C ATOM 906 O TRP A 59 -10.713 5.385 -3.944 1.00 0.00 O ATOM 907 CB TRP A 59 -9.131 2.635 -2.954 1.00 0.00 C ATOM 908 CG TRP A 59 -8.213 3.262 -3.959 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.185 3.026 -5.304 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.190 4.229 -3.698 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.205 3.787 -5.895 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.581 4.534 -4.931 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.730 4.868 -2.544 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.537 5.449 -5.039 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.693 5.775 -2.653 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.106 6.059 -3.893 1.00 0.00 C ATOM 0 H TRP A 59 -11.150 1.876 -1.686 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.725 4.385 -1.858 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.542 2.268 -2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.615 1.769 -3.406 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.837 2.342 -5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.979 3.794 -6.890 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.177 4.657 -1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.083 5.669 -5.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.329 6.274 -1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.298 6.773 -3.945 1.00 0.00 H new ATOM 927 N ARG A 60 -11.849 3.461 -4.210 1.00 0.00 N ATOM 928 CA ARG A 60 -12.628 3.949 -5.341 1.00 0.00 C ATOM 929 C ARG A 60 -13.533 5.103 -4.921 1.00 0.00 C ATOM 930 O ARG A 60 -13.559 6.153 -5.564 1.00 0.00 O ATOM 931 CB ARG A 60 -13.469 2.818 -5.935 1.00 0.00 C ATOM 932 CG ARG A 60 -12.658 1.815 -6.741 1.00 0.00 C ATOM 933 CD ARG A 60 -13.558 0.828 -7.469 1.00 0.00 C ATOM 934 NE ARG A 60 -12.915 -0.471 -7.644 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.472 -1.484 -8.299 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.676 -1.348 -8.837 1.00 0.00 N ATOM 937 NH2 ARG A 60 -12.824 -2.636 -8.416 1.00 0.00 N ATOM 0 H ARG A 60 -12.057 2.500 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.933 4.312 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.980 2.294 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.240 3.247 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.037 2.344 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.984 1.273 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.485 0.701 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.827 1.234 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.988 -0.608 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.177 -0.464 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.101 -2.127 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.898 -2.744 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.252 -3.413 -8.919 1.00 0.00 H new ATOM 951 N LYS A 61 -14.275 4.901 -3.837 1.00 0.00 N ATOM 952 CA LYS A 61 -15.182 5.924 -3.329 1.00 0.00 C ATOM 953 C LYS A 61 -14.453 7.250 -3.135 1.00 0.00 C ATOM 954 O LYS A 61 -15.055 8.319 -3.227 1.00 0.00 O ATOM 955 CB LYS A 61 -15.802 5.472 -2.005 1.00 0.00 C ATOM 956 CG LYS A 61 -14.840 5.532 -0.831 1.00 0.00 C ATOM 957 CD LYS A 61 -15.572 5.419 0.496 1.00 0.00 C ATOM 958 CE LYS A 61 -14.851 6.182 1.597 1.00 0.00 C ATOM 959 NZ LYS A 61 -15.326 7.589 1.699 1.00 0.00 N ATOM 0 H LYS A 61 -14.266 4.038 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.974 6.070 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.668 6.097 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.166 4.450 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.111 4.726 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.284 6.469 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.585 5.805 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.659 4.369 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.006 5.677 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.779 6.174 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.811 8.075 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.156 8.079 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.344 7.597 1.910 1.00 0.00 H new ATOM 973 N ALA A 62 -13.154 7.172 -2.867 1.00 0.00 N ATOM 974 CA ALA A 62 -12.343 8.366 -2.664 1.00 0.00 C ATOM 975 C ALA A 62 -12.198 9.158 -3.959 1.00 0.00 C ATOM 976 O ALA A 62 -11.881 8.598 -5.008 1.00 0.00 O ATOM 977 CB ALA A 62 -10.973 7.987 -2.120 1.00 0.00 C ATOM 0 H ALA A 62 -12.641 6.294 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.849 8.999 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.378 8.888 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.090 7.470 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.469 7.331 -2.829 1.00 0.00 H new ATOM 983 N SER A 63 -12.434 10.464 -3.878 1.00 0.00 N ATOM 984 CA SER A 63 -12.334 11.333 -5.044 1.00 0.00 C ATOM 985 C SER A 63 -10.911 11.344 -5.593 1.00 0.00 C ATOM 986 O SER A 63 -9.944 11.193 -4.846 1.00 0.00 O ATOM 987 CB SER A 63 -12.766 12.756 -4.685 1.00 0.00 C ATOM 988 OG SER A 63 -11.989 13.271 -3.618 1.00 0.00 O ATOM 0 H SER A 63 -12.696 10.943 -3.016 1.00 0.00 H new ATOM 0 HA SER A 63 -12.999 10.943 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.664 13.401 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.820 12.760 -4.407 1.00 0.00 H new ATOM 0 HG SER A 63 -12.284 14.182 -3.409 1.00 0.00 H new ATOM 994 N SER A 64 -10.790 11.525 -6.905 1.00 0.00 N ATOM 995 CA SER A 64 -9.486 11.553 -7.556 1.00 0.00 C ATOM 996 C SER A 64 -8.535 12.497 -6.826 1.00 0.00 C ATOM 997 O SER A 64 -7.388 12.146 -6.550 1.00 0.00 O ATOM 998 CB SER A 64 -9.631 11.986 -9.016 1.00 0.00 C ATOM 999 OG SER A 64 -10.602 11.201 -9.687 1.00 0.00 O ATOM 0 H SER A 64 -11.580 11.654 -7.537 1.00 0.00 H new ATOM 0 HA SER A 64 -9.069 10.547 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.915 13.037 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.671 11.894 -9.523 1.00 0.00 H new ATOM 0 HG SER A 64 -10.677 11.499 -10.618 1.00 0.00 H new ATOM 1005 N GLN A 65 -9.020 13.695 -6.517 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.213 14.689 -5.820 1.00 0.00 C ATOM 1007 C GLN A 65 -7.733 14.155 -4.475 1.00 0.00 C ATOM 1008 O GLN A 65 -6.753 14.646 -3.916 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.016 15.975 -5.615 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.144 16.820 -6.872 1.00 0.00 C ATOM 1011 CD GLN A 65 -10.060 16.195 -7.905 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -9.648 15.919 -9.032 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -11.312 15.967 -7.526 1.00 0.00 N ATOM 0 H GLN A 65 -9.968 14.001 -6.738 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.340 14.908 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.013 15.718 -5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.541 16.569 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.523 17.806 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.156 16.966 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.612 16.211 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.974 15.548 -8.179 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.430 13.146 -3.961 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.075 12.547 -2.680 1.00 0.00 C ATOM 1024 C GLU A 66 -6.881 11.608 -2.832 1.00 0.00 C ATOM 1025 O GLU A 66 -6.003 11.559 -1.969 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.267 11.783 -2.101 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.050 11.306 -0.675 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.425 12.370 0.207 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.231 12.677 0.009 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.129 12.895 1.095 1.00 0.00 O ATOM 0 H GLU A 66 -9.243 12.727 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.800 13.350 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.148 12.424 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.478 10.922 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.006 11.001 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.409 10.424 -0.684 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.856 10.865 -3.933 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.771 9.927 -4.197 1.00 0.00 C ATOM 1039 C ARG A 67 -4.528 10.659 -4.695 1.00 0.00 C ATOM 1040 O ARG A 67 -3.412 10.153 -4.584 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.210 8.885 -5.228 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.622 8.367 -5.008 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.248 7.888 -6.308 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.323 7.075 -7.094 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.432 6.900 -8.406 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.420 7.478 -9.076 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.551 6.146 -9.051 1.00 0.00 N ATOM 0 H ARG A 67 -7.574 10.894 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.524 9.423 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.144 9.322 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.516 8.045 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.602 7.548 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.237 9.156 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.143 7.307 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.564 8.749 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.552 6.617 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.099 8.059 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.501 7.342 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.790 5.700 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.635 6.012 -10.059 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.731 11.852 -5.245 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.627 12.654 -5.758 1.00 0.00 C ATOM 1063 C ALA A 68 -2.357 12.424 -4.946 1.00 0.00 C ATOM 1064 O ALA A 68 -1.325 12.004 -5.468 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.999 14.129 -5.753 1.00 0.00 C ATOM 0 H ALA A 68 -5.649 12.284 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.432 12.343 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.165 14.716 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.875 14.285 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.224 14.444 -4.734 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.432 12.705 -3.636 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.297 12.536 -2.724 1.00 0.00 C ATOM 1073 C PRO A 69 -0.955 11.069 -2.489 1.00 0.00 C ATOM 1074 O PRO A 69 0.197 10.659 -2.634 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.785 13.186 -1.427 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.271 13.090 -1.491 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.631 13.209 -2.946 1.00 0.00 C ATOM 0 HA PRO A 69 -0.384 12.980 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.392 12.668 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.458 14.223 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.619 12.143 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.739 13.883 -0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.514 12.619 -3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.850 14.240 -3.223 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.963 10.283 -2.127 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.768 8.861 -1.870 1.00 0.00 C ATOM 1087 C TYR A 70 -1.240 8.150 -3.112 1.00 0.00 C ATOM 1088 O TYR A 70 -0.761 7.019 -3.038 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.081 8.218 -1.420 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.707 8.894 -0.221 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.073 8.886 1.015 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.932 9.541 -0.325 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.642 9.502 2.113 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.507 10.162 0.767 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.858 10.139 1.984 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.429 10.754 3.075 1.00 0.00 O ATOM 0 H TYR A 70 -2.923 10.606 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.030 8.760 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.789 8.239 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.900 7.170 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.119 8.390 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.444 9.559 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.137 9.485 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.459 10.662 0.668 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.284 11.156 2.814 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.332 8.823 -4.255 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.863 8.259 -5.515 1.00 0.00 C ATOM 1108 C VAL A 71 0.624 8.528 -5.718 1.00 0.00 C ATOM 1109 O VAL A 71 1.354 7.680 -6.230 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.645 8.830 -6.712 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.095 8.282 -8.020 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.128 8.520 -6.576 1.00 0.00 C ATOM 0 H VAL A 71 -1.727 9.760 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.031 7.183 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.523 9.913 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.660 8.697 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.046 8.560 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.184 7.196 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.665 8.931 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.272 7.440 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.510 8.966 -5.658 1.00 0.00 H new ATOM 1122 N GLN A 72 1.066 9.714 -5.312 1.00 0.00 N ATOM 1123 CA GLN A 72 2.466 10.096 -5.450 1.00 0.00 C ATOM 1124 C GLN A 72 3.296 9.549 -4.293 1.00 0.00 C ATOM 1125 O GLN A 72 4.393 9.028 -4.493 1.00 0.00 O ATOM 1126 CB GLN A 72 2.599 11.618 -5.513 1.00 0.00 C ATOM 1127 CG GLN A 72 4.008 12.118 -5.240 1.00 0.00 C ATOM 1128 CD GLN A 72 4.966 11.811 -6.374 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.828 12.338 -7.478 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.945 10.955 -6.106 1.00 0.00 N ATOM 0 H GLN A 72 0.475 10.427 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 72 2.843 9.667 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.285 11.961 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.918 12.064 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.981 13.195 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.380 11.663 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.021 10.542 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.621 10.710 -6.830 1.00 0.00 H new ATOM 1139 N LYS A 73 2.765 9.672 -3.081 1.00 0.00 N ATOM 1140 CA LYS A 73 3.455 9.190 -1.890 1.00 0.00 C ATOM 1141 C LYS A 73 3.839 7.721 -2.041 1.00 0.00 C ATOM 1142 O LYS A 73 4.954 7.324 -1.704 1.00 0.00 O ATOM 1143 CB LYS A 73 2.571 9.372 -0.654 1.00 0.00 C ATOM 1144 CG LYS A 73 3.312 9.183 0.657 1.00 0.00 C ATOM 1145 CD LYS A 73 2.546 9.786 1.823 1.00 0.00 C ATOM 1146 CE LYS A 73 2.866 9.072 3.128 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.290 9.251 3.523 1.00 0.00 N ATOM 0 H LYS A 73 1.858 10.102 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 73 4.366 9.775 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.134 10.370 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.745 8.662 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.471 8.120 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.297 9.646 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.794 10.843 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.475 9.726 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.219 9.453 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.649 8.009 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.464 8.764 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.907 8.850 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.495 10.265 3.632 1.00 0.00 H new ATOM 1161 N ALA A 74 2.909 6.920 -2.551 1.00 0.00 N ATOM 1162 CA ALA A 74 3.151 5.497 -2.749 1.00 0.00 C ATOM 1163 C ALA A 74 4.408 5.265 -3.581 1.00 0.00 C ATOM 1164 O ALA A 74 5.187 4.353 -3.305 1.00 0.00 O ATOM 1165 CB ALA A 74 1.948 4.844 -3.413 1.00 0.00 C ATOM 0 H ALA A 74 1.981 7.233 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 74 3.304 5.040 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.143 3.781 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.070 4.971 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.768 5.312 -4.381 1.00 0.00 H new ATOM 1171 N ARG A 75 4.598 6.096 -4.601 1.00 0.00 N ATOM 1172 CA ARG A 75 5.760 5.980 -5.475 1.00 0.00 C ATOM 1173 C ARG A 75 7.042 6.325 -4.723 1.00 0.00 C ATOM 1174 O ARG A 75 8.046 5.622 -4.833 1.00 0.00 O ATOM 1175 CB ARG A 75 5.605 6.898 -6.689 1.00 0.00 C ATOM 1176 CG ARG A 75 4.407 6.558 -7.560 1.00 0.00 C ATOM 1177 CD ARG A 75 3.980 7.746 -8.409 1.00 0.00 C ATOM 1178 NE ARG A 75 3.281 7.329 -9.621 1.00 0.00 N ATOM 1179 CZ ARG A 75 2.904 8.170 -10.578 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.157 9.467 -10.463 1.00 0.00 N ATOM 1181 NH2 ARG A 75 2.271 7.715 -11.652 1.00 0.00 N ATOM 0 H ARG A 75 3.963 6.857 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 75 5.826 4.947 -5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.513 7.928 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.510 6.843 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.654 5.717 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.576 6.242 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.332 8.397 -7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.858 8.332 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 75 3.071 6.338 -9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.642 9.821 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.867 10.111 -11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.073 6.719 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.982 8.362 -12.386 1.00 0.00 H new ATOM 1195 N ASP A 76 7.000 7.413 -3.961 1.00 0.00 N ATOM 1196 CA ASP A 76 8.158 7.852 -3.191 1.00 0.00 C ATOM 1197 C ASP A 76 8.546 6.807 -2.149 1.00 0.00 C ATOM 1198 O ASP A 76 9.727 6.575 -1.897 1.00 0.00 O ATOM 1199 CB ASP A 76 7.866 9.188 -2.507 1.00 0.00 C ATOM 1200 CG ASP A 76 9.126 9.983 -2.228 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.125 9.377 -1.785 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.114 11.211 -2.452 1.00 0.00 O ATOM 0 H ASP A 76 6.177 8.007 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 76 8.993 7.980 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.200 9.778 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.340 9.006 -1.570 1.00 0.00 H new ATOM 1207 N ASN A 77 7.541 6.179 -1.546 1.00 0.00 N ATOM 1208 CA ASN A 77 7.776 5.160 -0.530 1.00 0.00 C ATOM 1209 C ASN A 77 8.710 4.074 -1.055 1.00 0.00 C ATOM 1210 O ASN A 77 9.521 3.524 -0.309 1.00 0.00 O ATOM 1211 CB ASN A 77 6.451 4.538 -0.085 1.00 0.00 C ATOM 1212 CG ASN A 77 5.833 5.272 1.089 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.527 5.950 1.847 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.521 5.138 1.246 1.00 0.00 N ATOM 0 H ASN A 77 6.557 6.358 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 77 8.250 5.639 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.752 4.542 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.616 3.496 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.049 5.607 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.985 4.566 0.593 1.00 0.00 H new ATOM 1221 N ARG A 78 8.591 3.770 -2.343 1.00 0.00 N ATOM 1222 CA ARG A 78 9.423 2.750 -2.968 1.00 0.00 C ATOM 1223 C ARG A 78 10.899 3.133 -2.895 1.00 0.00 C ATOM 1224 O ARG A 78 11.757 2.289 -2.639 1.00 0.00 O ATOM 1225 CB ARG A 78 9.010 2.547 -4.427 1.00 0.00 C ATOM 1226 CG ARG A 78 7.580 2.059 -4.592 1.00 0.00 C ATOM 1227 CD ARG A 78 7.213 1.896 -6.059 1.00 0.00 C ATOM 1228 NE ARG A 78 7.496 3.103 -6.831 1.00 0.00 N ATOM 1229 CZ ARG A 78 8.673 3.356 -7.393 1.00 0.00 C ATOM 1230 NH1 ARG A 78 9.670 2.491 -7.271 1.00 0.00 N ATOM 1231 NH2 ARG A 78 8.853 4.477 -8.081 1.00 0.00 N ATOM 0 H ARG A 78 7.926 4.216 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 78 9.279 1.817 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.128 3.488 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.686 1.829 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.458 1.106 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.897 2.766 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.768 1.058 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.154 1.652 -6.143 1.00 0.00 H new ATOM 0 HE ARG A 78 6.750 3.789 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.535 1.628 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.572 2.688 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.088 5.144 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.757 4.671 -8.512 1.00 0.00 H new ATOM 1245 N ALA A 79 11.185 4.410 -3.122 1.00 0.00 N ATOM 1246 CA ALA A 79 12.556 4.905 -3.081 1.00 0.00 C ATOM 1247 C ALA A 79 13.181 4.675 -1.709 1.00 0.00 C ATOM 1248 O ALA A 79 14.268 4.108 -1.599 1.00 0.00 O ATOM 1249 CB ALA A 79 12.595 6.383 -3.440 1.00 0.00 C ATOM 0 H ALA A 79 10.486 5.121 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 79 13.139 4.349 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.625 6.739 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.196 6.524 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.992 6.946 -2.728 1.00 0.00 H new ATOM 1255 N ALA A 80 12.488 5.119 -0.666 1.00 0.00 N ATOM 1256 CA ALA A 80 12.976 4.961 0.698 1.00 0.00 C ATOM 1257 C ALA A 80 13.685 3.623 0.876 1.00 0.00 C ATOM 1258 O ALA A 80 14.775 3.557 1.445 1.00 0.00 O ATOM 1259 CB ALA A 80 11.826 5.086 1.687 1.00 0.00 C ATOM 0 H ALA A 80 11.587 5.591 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 80 13.698 5.754 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.204 4.966 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.364 6.068 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.085 4.314 1.482 1.00 0.00 H new ATOM 1265 N LEU A 81 13.060 2.558 0.386 1.00 0.00 N ATOM 1266 CA LEU A 81 13.632 1.220 0.491 1.00 0.00 C ATOM 1267 C LEU A 81 14.923 1.114 -0.316 1.00 0.00 C ATOM 1268 O LEU A 81 15.974 0.761 0.220 1.00 0.00 O ATOM 1269 CB LEU A 81 12.627 0.174 0.005 1.00 0.00 C ATOM 1270 CG LEU A 81 11.212 0.289 0.573 1.00 0.00 C ATOM 1271 CD1 LEU A 81 10.285 -0.714 -0.097 1.00 0.00 C ATOM 1272 CD2 LEU A 81 11.224 0.082 2.081 1.00 0.00 C ATOM 0 H LEU A 81 12.157 2.595 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 81 13.864 1.033 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.567 0.234 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.016 -0.815 0.248 1.00 0.00 H new ATOM 0 HG LEU A 81 10.839 1.292 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.282 -0.618 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.253 -0.520 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.655 -1.724 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.209 0.167 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.617 -0.909 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.855 0.839 2.547 1.00 0.00 H new ATOM 1284 N ARG A 82 14.836 1.425 -1.605 1.00 0.00 N ATOM 1285 CA ARG A 82 15.996 1.366 -2.485 1.00 0.00 C ATOM 1286 C ARG A 82 17.231 1.940 -1.796 1.00 0.00 C ATOM 1287 O ARG A 82 18.320 1.369 -1.875 1.00 0.00 O ATOM 1288 CB ARG A 82 15.720 2.131 -3.780 1.00 0.00 C ATOM 1289 CG ARG A 82 16.466 1.579 -4.984 1.00 0.00 C ATOM 1290 CD ARG A 82 16.778 2.672 -5.995 1.00 0.00 C ATOM 1291 NE ARG A 82 17.974 2.369 -6.777 1.00 0.00 N ATOM 1292 CZ ARG A 82 18.379 3.096 -7.812 1.00 0.00 C ATOM 1293 NH1 ARG A 82 17.688 4.164 -8.187 1.00 0.00 N ATOM 1294 NH2 ARG A 82 19.478 2.757 -8.473 1.00 0.00 N ATOM 0 H ARG A 82 13.974 1.720 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 82 16.187 0.320 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.650 2.108 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.996 3.176 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.394 1.110 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.867 0.802 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.928 2.798 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.916 3.619 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 82 18.529 1.554 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.843 4.429 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.001 4.721 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.013 1.937 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.788 3.316 -9.268 1.00 0.00 H new ATOM 1308 N ILE A 83 17.054 3.070 -1.121 1.00 0.00 N ATOM 1309 CA ILE A 83 18.153 3.720 -0.418 1.00 0.00 C ATOM 1310 C ILE A 83 18.530 2.950 0.843 1.00 0.00 C ATOM 1311 O ILE A 83 19.678 2.539 1.011 1.00 0.00 O ATOM 1312 CB ILE A 83 17.797 5.169 -0.034 1.00 0.00 C ATOM 1313 CG1 ILE A 83 17.609 6.021 -1.290 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.878 5.761 0.858 1.00 0.00 C ATOM 1315 CD1 ILE A 83 16.198 5.993 -1.834 1.00 0.00 C ATOM 0 H ILE A 83 16.160 3.555 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 83 19.002 3.732 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 83 16.859 5.162 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.882 7.052 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.294 5.671 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.612 6.785 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.967 5.165 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.830 5.758 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.139 6.619 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.928 4.969 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.509 6.371 -1.078 1.00 0.00 H new ATOM 1327 N ASN A 84 17.556 2.757 1.726 1.00 0.00 N ATOM 1328 CA ASN A 84 17.786 2.034 2.972 1.00 0.00 C ATOM 1329 C ASN A 84 19.102 2.463 3.615 1.00 0.00 C ATOM 1330 O ASN A 84 19.918 1.627 4.003 1.00 0.00 O ATOM 1331 CB ASN A 84 17.798 0.526 2.716 1.00 0.00 C ATOM 1332 CG ASN A 84 18.899 0.110 1.760 1.00 0.00 C ATOM 1333 OD1 ASN A 84 20.071 0.052 2.133 1.00 0.00 O ATOM 1334 ND2 ASN A 84 18.527 -0.181 0.520 1.00 0.00 N ATOM 0 H ASN A 84 16.600 3.091 1.602 1.00 0.00 H new ATOM 0 HA ASN A 84 16.973 2.273 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 84 17.925 0.001 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.834 0.222 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.224 -0.466 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.544 -0.119 0.255 1.00 0.00 H new ATOM 1341 N LYS A 85 19.301 3.772 3.724 1.00 0.00 N ATOM 1342 CA LYS A 85 20.516 4.314 4.321 1.00 0.00 C ATOM 1343 C LYS A 85 21.752 3.596 3.788 1.00 0.00 C ATOM 1344 O LYS A 85 22.605 3.153 4.557 1.00 0.00 O ATOM 1345 CB LYS A 85 20.459 4.190 5.845 1.00 0.00 C ATOM 1346 CG LYS A 85 19.285 4.922 6.472 1.00 0.00 C ATOM 1347 CD LYS A 85 19.161 4.611 7.954 1.00 0.00 C ATOM 1348 CE LYS A 85 19.987 5.571 8.796 1.00 0.00 C ATOM 1349 NZ LYS A 85 19.801 5.331 10.254 1.00 0.00 N ATOM 0 H LYS A 85 18.636 4.478 3.407 1.00 0.00 H new ATOM 0 HA LYS A 85 20.585 5.368 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.404 3.135 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.386 4.578 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.409 5.996 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.364 4.639 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.115 4.671 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.488 3.588 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.041 5.462 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.706 6.597 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.381 6.005 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.799 5.460 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.093 4.360 10.486 1.00 0.00 H new ATOM 1363 N VAL A 86 21.842 3.485 2.466 1.00 0.00 N ATOM 1364 CA VAL A 86 22.974 2.823 1.830 1.00 0.00 C ATOM 1365 C VAL A 86 24.140 3.787 1.642 1.00 0.00 C ATOM 1366 O VAL A 86 25.265 3.370 1.369 1.00 0.00 O ATOM 1367 CB VAL A 86 22.584 2.233 0.462 1.00 0.00 C ATOM 1368 CG1 VAL A 86 22.240 3.343 -0.520 1.00 0.00 C ATOM 1369 CG2 VAL A 86 23.704 1.359 -0.081 1.00 0.00 C ATOM 0 H VAL A 86 21.144 3.845 1.815 1.00 0.00 H new ATOM 0 HA VAL A 86 23.279 2.013 2.492 1.00 0.00 H new ATOM 0 HB VAL A 86 21.700 1.610 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 86 21.967 2.907 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 86 21.402 3.924 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.104 3.995 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 86 23.411 0.951 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.608 1.957 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 86 23.898 0.542 0.614 1.00 0.00 H new ATOM 1379 N GLN A 87 23.862 5.079 1.789 1.00 0.00 N ATOM 1380 CA GLN A 87 24.888 6.103 1.635 1.00 0.00 C ATOM 1381 C GLN A 87 25.581 6.384 2.964 1.00 0.00 C ATOM 1382 O GLN A 87 25.797 7.539 3.330 1.00 0.00 O ATOM 1383 CB GLN A 87 24.274 7.391 1.084 1.00 0.00 C ATOM 1384 CG GLN A 87 23.305 8.062 2.043 1.00 0.00 C ATOM 1385 CD GLN A 87 23.264 9.568 1.874 1.00 0.00 C ATOM 1386 OE1 GLN A 87 23.613 10.095 0.817 1.00 0.00 O ATOM 1387 NE2 GLN A 87 22.836 10.270 2.917 1.00 0.00 N ATOM 0 H GLN A 87 22.935 5.441 2.014 1.00 0.00 H new ATOM 0 HA GLN A 87 25.632 5.733 0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 87 25.074 8.090 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 87 23.754 7.166 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 87 22.306 7.656 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 87 23.590 7.823 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 87 22.557 9.792 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 87 22.787 11.287 2.861 1.00 0.00 H new ATOM 1396 N MET A 88 25.926 5.321 3.683 1.00 0.00 N ATOM 1397 CA MET A 88 26.595 5.454 4.971 1.00 0.00 C ATOM 1398 C MET A 88 28.104 5.589 4.789 1.00 0.00 C ATOM 1399 O MET A 88 28.737 6.451 5.399 1.00 0.00 O ATOM 1400 CB MET A 88 26.283 4.248 5.859 1.00 0.00 C ATOM 1401 CG MET A 88 24.910 4.309 6.507 1.00 0.00 C ATOM 1402 SD MET A 88 24.739 5.697 7.644 1.00 0.00 S ATOM 1403 CE MET A 88 24.013 4.884 9.065 1.00 0.00 C ATOM 0 H MET A 88 25.753 4.358 3.395 1.00 0.00 H new ATOM 0 HA MET A 88 26.223 6.358 5.454 1.00 0.00 H new ATOM 0 HB2 MET A 88 26.353 3.339 5.261 1.00 0.00 H new ATOM 0 HB3 MET A 88 27.041 4.176 6.639 1.00 0.00 H new ATOM 0 HG2 MET A 88 24.149 4.385 5.730 1.00 0.00 H new ATOM 0 HG3 MET A 88 24.725 3.379 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 88 23.781 5.626 9.829 1.00 0.00 H new ATOM 0 HE2 MET A 88 23.098 4.374 8.764 1.00 0.00 H new ATOM 0 HE3 MET A 88 24.718 4.157 9.467 1.00 0.00 H new ATOM 1413 N SER A 89 28.673 4.733 3.947 1.00 0.00 N ATOM 1414 CA SER A 89 30.108 4.754 3.688 1.00 0.00 C ATOM 1415 C SER A 89 30.613 6.187 3.550 1.00 0.00 C ATOM 1416 O SER A 89 31.703 6.520 4.014 1.00 0.00 O ATOM 1417 CB SER A 89 30.431 3.964 2.419 1.00 0.00 C ATOM 1418 OG SER A 89 31.770 4.180 2.009 1.00 0.00 O ATOM 0 H SER A 89 28.162 4.016 3.432 1.00 0.00 H new ATOM 0 HA SER A 89 30.612 4.288 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.270 2.901 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 89 29.751 4.260 1.620 1.00 0.00 H new ATOM 0 HG SER A 89 31.951 3.662 1.197 1.00 0.00 H new ATOM 1424 N ASN A 90 29.812 7.032 2.908 1.00 0.00 N ATOM 1425 CA ASN A 90 30.177 8.429 2.708 1.00 0.00 C ATOM 1426 C ASN A 90 31.635 8.554 2.274 1.00 0.00 C ATOM 1427 O ASN A 90 32.307 9.532 2.598 1.00 0.00 O ATOM 1428 CB ASN A 90 29.946 9.227 3.993 1.00 0.00 C ATOM 1429 CG ASN A 90 28.509 9.689 4.136 1.00 0.00 C ATOM 1430 OD1 ASN A 90 27.998 10.432 3.299 1.00 0.00 O ATOM 1431 ND2 ASN A 90 27.850 9.249 5.202 1.00 0.00 N ATOM 0 H ASN A 90 28.906 6.773 2.518 1.00 0.00 H new ATOM 0 HA ASN A 90 29.545 8.834 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 90 30.214 8.612 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 90 30.606 10.094 4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 90 26.880 9.526 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 90 28.314 8.634 5.870 1.00 0.00 H new TER 1438 ASN A 90