USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 LYS NZ :NH3+ -165:sc= 1.16 (180deg=1.04) USER MOD Set 1.2: A 80 SER OG : rot -81:sc= 0.519 USER MOD Set 2.1: A 26 GLN : amide:sc= 1.05 K(o=2.3,f=-7.6!) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 31:sc= 0.306 USER MOD Single : A 5 ASN : amide:sc= -0.871 K(o=-0.87,f=-3.8!) USER MOD Single : A 14 ASN : amide:sc= -1.56! K(o=-1.6!,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.515 K(o=-0.51,f=-7.3!) USER MOD Single : A 20 THR OG1 : rot 58:sc= 0.571 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0371 (180deg=-0.163) USER MOD Single : A 23 GLN : amide:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 33 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.8) USER MOD Single : A 36 SER OG : rot -130:sc= 0.106 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.702) USER MOD Single : A 41 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.01) USER MOD Single : A 56 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=-3.2) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.2) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.318) USER MOD Single : A 70 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.4) USER MOD Single : A 75 MET CE :methyl -151:sc= -0.335 (180deg=-1.44!) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.16) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.04) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 2.22 (180deg=2.13) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 -5.521 5.812 10.865 1.00 0.54 N ATOM 29 CA THR A 3 -4.510 4.822 10.516 1.00 0.49 C ATOM 30 C THR A 3 -5.047 3.397 10.654 1.00 0.44 C ATOM 31 O THR A 3 -5.523 3.005 11.720 1.00 0.46 O ATOM 32 CB THR A 3 -3.283 4.997 11.439 1.00 0.50 C ATOM 33 OG1 THR A 3 -2.919 6.384 11.480 1.00 0.75 O ATOM 34 CG2 THR A 3 -2.088 4.170 10.952 1.00 0.62 C ATOM 0 HA THR A 3 -4.228 4.979 9.475 1.00 0.49 H new ATOM 0 HB THR A 3 -3.552 4.644 12.435 1.00 0.50 H new ATOM 0 HG1 THR A 3 -3.720 6.936 11.363 1.00 0.75 H new ATOM 0 HG21 THR A 3 -1.244 4.318 11.626 1.00 0.62 H new ATOM 0 HG22 THR A 3 -2.358 3.114 10.936 1.00 0.62 H new ATOM 0 HG23 THR A 3 -1.810 4.488 9.947 1.00 0.62 H new ATOM 42 N ARG A 4 -4.986 2.626 9.570 1.00 0.42 N ATOM 43 CA ARG A 4 -5.462 1.245 9.588 1.00 0.40 C ATOM 44 C ARG A 4 -4.297 0.266 9.508 1.00 0.40 C ATOM 45 O ARG A 4 -3.401 0.375 8.656 1.00 0.43 O ATOM 46 CB ARG A 4 -6.467 0.978 8.451 1.00 0.40 C ATOM 47 CG ARG A 4 -5.966 1.347 7.058 1.00 0.37 C ATOM 48 CD ARG A 4 -6.929 0.880 5.965 1.00 0.39 C ATOM 49 NE ARG A 4 -6.683 1.540 4.671 1.00 0.36 N ATOM 50 CZ ARG A 4 -7.443 1.374 3.576 1.00 0.36 C ATOM 51 NH1 ARG A 4 -8.443 0.500 3.569 1.00 0.38 N ATOM 52 NH2 ARG A 4 -7.175 2.062 2.470 1.00 0.40 N ATOM 0 H ARG A 4 -4.613 2.933 8.672 1.00 0.42 H new ATOM 0 HA ARG A 4 -5.979 1.092 10.535 1.00 0.40 H new ATOM 0 HB2 ARG A 4 -6.731 -0.079 8.459 1.00 0.40 H new ATOM 0 HB3 ARG A 4 -7.381 1.537 8.653 1.00 0.40 H new ATOM 0 HG2 ARG A 4 -5.838 2.427 6.992 1.00 0.37 H new ATOM 0 HG3 ARG A 4 -4.986 0.899 6.894 1.00 0.37 H new ATOM 0 HD2 ARG A 4 -6.836 -0.199 5.841 1.00 0.39 H new ATOM 0 HD3 ARG A 4 -7.954 1.078 6.280 1.00 0.39 H new ATOM 0 HE ARG A 4 -5.881 2.166 4.602 1.00 0.36 H new ATOM 0 HH11 ARG A 4 -8.641 -0.055 4.402 1.00 0.38 H new ATOM 0 HH12 ARG A 4 -9.013 0.384 2.731 1.00 0.38 H new ATOM 0 HH21 ARG A 4 -6.392 2.716 2.453 1.00 0.40 H new ATOM 0 HH22 ARG A 4 -7.752 1.936 1.639 1.00 0.40 H new ATOM 66 N ASN A 5 -4.288 -0.690 10.412 1.00 0.39 N ATOM 67 CA ASN A 5 -3.238 -1.677 10.429 1.00 0.40 C ATOM 68 C ASN A 5 -3.608 -2.842 9.532 1.00 0.37 C ATOM 69 O ASN A 5 -4.754 -2.965 9.105 1.00 0.37 O ATOM 70 CB ASN A 5 -2.979 -2.182 11.857 1.00 0.43 C ATOM 71 CG ASN A 5 -2.679 -1.066 12.836 1.00 0.47 C ATOM 72 OD1 ASN A 5 -1.543 -0.614 12.955 1.00 0.55 O ATOM 73 ND2 ASN A 5 -3.697 -0.618 13.557 1.00 0.53 N ATOM 0 H ASN A 5 -4.994 -0.802 11.140 1.00 0.39 H new ATOM 0 HA ASN A 5 -2.326 -1.209 10.059 1.00 0.40 H new ATOM 0 HB2 ASN A 5 -3.851 -2.737 12.204 1.00 0.43 H new ATOM 0 HB3 ASN A 5 -2.142 -2.880 11.843 1.00 0.43 H new ATOM 0 HD21 ASN A 5 -3.551 0.127 14.238 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -4.627 -1.018 13.430 1.00 0.53 H new ATOM 80 N PHE A 6 -2.638 -3.672 9.222 1.00 0.36 N ATOM 81 CA PHE A 6 -2.862 -4.834 8.385 1.00 0.34 C ATOM 82 C PHE A 6 -2.123 -6.014 8.999 1.00 0.35 C ATOM 83 O PHE A 6 -0.971 -5.883 9.398 1.00 0.37 O ATOM 84 CB PHE A 6 -2.369 -4.562 6.953 1.00 0.33 C ATOM 85 CG PHE A 6 -3.210 -3.559 6.197 1.00 0.33 C ATOM 86 CD1 PHE A 6 -4.332 -3.968 5.489 1.00 0.32 C ATOM 87 CD2 PHE A 6 -2.873 -2.206 6.181 1.00 0.34 C ATOM 88 CE1 PHE A 6 -5.098 -3.056 4.787 1.00 0.33 C ATOM 89 CE2 PHE A 6 -3.635 -1.297 5.478 1.00 0.35 C ATOM 90 CZ PHE A 6 -4.746 -1.721 4.781 1.00 0.34 C ATOM 0 H PHE A 6 -1.675 -3.564 9.540 1.00 0.36 H new ATOM 0 HA PHE A 6 -3.927 -5.059 8.329 1.00 0.34 H new ATOM 0 HB2 PHE A 6 -1.341 -4.202 6.995 1.00 0.33 H new ATOM 0 HB3 PHE A 6 -2.355 -5.501 6.399 1.00 0.33 H new ATOM 0 HD1 PHE A 6 -4.610 -5.012 5.487 1.00 0.32 H new ATOM 0 HD2 PHE A 6 -2.005 -1.866 6.726 1.00 0.34 H new ATOM 0 HE1 PHE A 6 -5.971 -3.387 4.244 1.00 0.33 H new ATOM 0 HE2 PHE A 6 -3.361 -0.252 5.473 1.00 0.35 H new ATOM 0 HZ PHE A 6 -5.342 -1.008 4.230 1.00 0.34 H new ATOM 100 N VAL A 7 -2.776 -7.161 9.071 1.00 0.34 N ATOM 101 CA VAL A 7 -2.164 -8.334 9.679 1.00 0.36 C ATOM 102 C VAL A 7 -1.938 -9.419 8.637 1.00 0.35 C ATOM 103 O VAL A 7 -2.879 -10.119 8.250 1.00 0.33 O ATOM 104 CB VAL A 7 -3.021 -8.912 10.828 1.00 0.38 C ATOM 105 CG1 VAL A 7 -2.105 -9.292 12.002 1.00 0.42 C ATOM 106 CG2 VAL A 7 -4.084 -7.888 11.299 1.00 0.40 C ATOM 0 H VAL A 7 -3.722 -7.307 8.720 1.00 0.34 H new ATOM 0 HA VAL A 7 -1.210 -8.009 10.094 1.00 0.36 H new ATOM 0 HB VAL A 7 -3.543 -9.797 10.463 1.00 0.38 H new ATOM 0 HG11 VAL A 7 -2.706 -9.700 12.815 1.00 0.42 H new ATOM 0 HG12 VAL A 7 -1.383 -10.040 11.673 1.00 0.42 H new ATOM 0 HG13 VAL A 7 -1.575 -8.406 12.352 1.00 0.42 H new ATOM 0 HG21 VAL A 7 -4.673 -8.321 12.108 1.00 0.40 H new ATOM 0 HG22 VAL A 7 -3.587 -6.985 11.655 1.00 0.40 H new ATOM 0 HG23 VAL A 7 -4.741 -7.637 10.466 1.00 0.40 H new ATOM 116 N LEU A 8 -0.692 -9.554 8.195 1.00 0.37 N ATOM 117 CA LEU A 8 -0.324 -10.528 7.177 1.00 0.37 C ATOM 118 C LEU A 8 -0.476 -11.960 7.676 1.00 0.38 C ATOM 119 O LEU A 8 0.010 -12.320 8.751 1.00 0.41 O ATOM 120 CB LEU A 8 1.124 -10.303 6.726 1.00 0.40 C ATOM 121 CG LEU A 8 1.610 -11.226 5.604 1.00 0.42 C ATOM 122 CD1 LEU A 8 1.875 -10.422 4.345 1.00 0.47 C ATOM 123 CD2 LEU A 8 2.861 -11.985 6.034 1.00 0.66 C ATOM 0 H LEU A 8 0.089 -8.992 8.533 1.00 0.37 H new ATOM 0 HA LEU A 8 -1.003 -10.386 6.337 1.00 0.37 H new ATOM 0 HB2 LEU A 8 1.228 -9.270 6.395 1.00 0.40 H new ATOM 0 HB3 LEU A 8 1.780 -10.429 7.588 1.00 0.40 H new ATOM 0 HG LEU A 8 0.830 -11.957 5.392 1.00 0.42 H new ATOM 0 HD11 LEU A 8 2.220 -11.088 3.554 1.00 0.47 H new ATOM 0 HD12 LEU A 8 0.956 -9.928 4.029 1.00 0.47 H new ATOM 0 HD13 LEU A 8 2.639 -9.672 4.547 1.00 0.47 H new ATOM 0 HD21 LEU A 8 3.189 -12.635 5.223 1.00 0.66 H new ATOM 0 HD22 LEU A 8 3.653 -11.275 6.274 1.00 0.66 H new ATOM 0 HD23 LEU A 8 2.636 -12.588 6.913 1.00 0.66 H new ATOM 135 N ARG A 9 -1.155 -12.770 6.886 1.00 0.37 N ATOM 136 CA ARG A 9 -1.357 -14.167 7.210 1.00 0.39 C ATOM 137 C ARG A 9 -0.548 -15.025 6.243 1.00 0.41 C ATOM 138 O ARG A 9 -0.261 -14.603 5.125 1.00 0.42 O ATOM 139 CB ARG A 9 -2.850 -14.517 7.156 1.00 0.39 C ATOM 140 CG ARG A 9 -3.140 -15.999 6.979 1.00 0.44 C ATOM 141 CD ARG A 9 -4.541 -16.344 7.437 1.00 0.45 C ATOM 142 NE ARG A 9 -4.712 -16.117 8.873 1.00 0.50 N ATOM 143 CZ ARG A 9 -5.788 -16.485 9.560 1.00 0.57 C ATOM 144 NH1 ARG A 9 -6.816 -17.057 8.940 1.00 0.68 N ATOM 145 NH2 ARG A 9 -5.832 -16.289 10.871 1.00 0.64 N ATOM 0 H ARG A 9 -1.580 -12.479 6.006 1.00 0.37 H new ATOM 0 HA ARG A 9 -1.013 -14.365 8.225 1.00 0.39 H new ATOM 0 HB2 ARG A 9 -3.325 -14.173 8.075 1.00 0.39 H new ATOM 0 HB3 ARG A 9 -3.310 -13.968 6.334 1.00 0.39 H new ATOM 0 HG2 ARG A 9 -3.020 -16.272 5.931 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -2.415 -16.584 7.546 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -5.263 -15.742 6.885 1.00 0.45 H new ATOM 0 HD3 ARG A 9 -4.753 -17.388 7.206 1.00 0.45 H new ATOM 0 HE ARG A 9 -3.959 -15.648 9.377 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -6.780 -17.215 7.933 1.00 0.68 H new ATOM 0 HH12 ARG A 9 -7.640 -17.338 9.472 1.00 0.68 H new ATOM 0 HH21 ARG A 9 -5.041 -15.857 11.349 1.00 0.64 H new ATOM 0 HH22 ARG A 9 -6.657 -16.570 11.401 1.00 0.64 H new ATOM 159 N ASP A 10 -0.174 -16.216 6.687 1.00 0.43 N ATOM 160 CA ASP A 10 0.600 -17.141 5.871 1.00 0.45 C ATOM 161 C ASP A 10 -0.316 -17.957 4.985 1.00 0.46 C ATOM 162 O ASP A 10 -1.181 -17.416 4.298 1.00 0.43 O ATOM 163 CB ASP A 10 1.440 -18.047 6.779 1.00 0.51 C ATOM 164 CG ASP A 10 2.555 -18.764 6.046 1.00 0.52 C ATOM 165 OD1 ASP A 10 3.626 -18.154 5.852 1.00 0.65 O ATOM 166 OD2 ASP A 10 2.371 -19.949 5.685 1.00 0.60 O ATOM 0 H ASP A 10 -0.397 -16.568 7.618 1.00 0.43 H new ATOM 0 HA ASP A 10 1.272 -16.577 5.224 1.00 0.45 H new ATOM 0 HB2 ASP A 10 1.869 -17.447 7.582 1.00 0.51 H new ATOM 0 HB3 ASP A 10 0.789 -18.785 7.246 1.00 0.51 H new ATOM 171 N GLU A 11 -0.150 -19.253 5.027 1.00 0.50 N ATOM 172 CA GLU A 11 -0.938 -20.122 4.208 1.00 0.53 C ATOM 173 C GLU A 11 -1.482 -21.271 5.048 1.00 0.58 C ATOM 174 O GLU A 11 -2.542 -21.825 4.762 1.00 0.61 O ATOM 175 CB GLU A 11 -0.098 -20.643 3.047 1.00 0.54 C ATOM 176 CG GLU A 11 -0.749 -20.450 1.687 1.00 0.58 C ATOM 177 CD GLU A 11 -2.044 -21.222 1.543 1.00 0.67 C ATOM 178 OE1 GLU A 11 -1.998 -22.401 1.139 1.00 0.93 O ATOM 179 OE2 GLU A 11 -3.118 -20.646 1.826 1.00 0.66 O ATOM 0 H GLU A 11 0.528 -19.727 5.624 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.782 -19.568 3.797 1.00 0.53 H new ATOM 0 HB2 GLU A 11 0.867 -20.137 3.053 1.00 0.54 H new ATOM 0 HB3 GLU A 11 0.097 -21.704 3.199 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.944 -19.389 1.530 1.00 0.58 H new ATOM 0 HG3 GLU A 11 -0.054 -20.765 0.908 1.00 0.58 H new ATOM 186 N ASP A 12 -0.749 -21.605 6.104 1.00 0.62 N ATOM 187 CA ASP A 12 -1.133 -22.689 7.007 1.00 0.69 C ATOM 188 C ASP A 12 -2.141 -22.217 8.057 1.00 0.66 C ATOM 189 O ASP A 12 -2.530 -22.979 8.944 1.00 0.69 O ATOM 190 CB ASP A 12 0.104 -23.281 7.696 1.00 0.78 C ATOM 191 CG ASP A 12 1.008 -22.230 8.314 1.00 0.77 C ATOM 192 OD1 ASP A 12 0.533 -21.108 8.600 1.00 0.72 O ATOM 193 OD2 ASP A 12 2.207 -22.526 8.519 1.00 0.98 O ATOM 0 H ASP A 12 0.121 -21.138 6.359 1.00 0.62 H new ATOM 0 HA ASP A 12 -1.610 -23.462 6.405 1.00 0.69 H new ATOM 0 HB2 ASP A 12 -0.218 -23.975 8.472 1.00 0.78 H new ATOM 0 HB3 ASP A 12 0.675 -23.859 6.969 1.00 0.78 H new ATOM 198 N GLY A 13 -2.563 -20.965 7.957 1.00 0.61 N ATOM 199 CA GLY A 13 -3.527 -20.429 8.898 1.00 0.60 C ATOM 200 C GLY A 13 -2.873 -19.656 10.023 1.00 0.58 C ATOM 201 O GLY A 13 -3.547 -19.179 10.936 1.00 0.62 O ATOM 0 H GLY A 13 -2.255 -20.309 7.240 1.00 0.61 H new ATOM 0 HA2 GLY A 13 -4.221 -19.776 8.369 1.00 0.60 H new ATOM 0 HA3 GLY A 13 -4.114 -21.246 9.317 1.00 0.60 H new ATOM 205 N ASN A 14 -1.563 -19.521 9.946 1.00 0.59 N ATOM 206 CA ASN A 14 -0.819 -18.793 10.961 1.00 0.60 C ATOM 207 C ASN A 14 -0.499 -17.398 10.453 1.00 0.55 C ATOM 208 O ASN A 14 -0.041 -17.228 9.327 1.00 0.55 O ATOM 209 CB ASN A 14 0.477 -19.517 11.346 1.00 0.65 C ATOM 210 CG ASN A 14 0.227 -20.846 12.059 1.00 0.71 C ATOM 211 OD1 ASN A 14 0.107 -20.886 13.286 1.00 0.86 O ATOM 212 ND2 ASN A 14 0.141 -21.940 11.310 1.00 0.80 N ATOM 0 H ASN A 14 -0.991 -19.904 9.193 1.00 0.59 H new ATOM 0 HA ASN A 14 -1.441 -18.731 11.854 1.00 0.60 H new ATOM 0 HB2 ASN A 14 1.067 -19.698 10.447 1.00 0.65 H new ATOM 0 HB3 ASN A 14 1.071 -18.870 11.992 1.00 0.65 H new ATOM 0 HD21 ASN A 14 -0.029 -22.846 11.748 1.00 0.80 H new ATOM 0 HD22 ASN A 14 0.245 -21.874 10.297 1.00 0.80 H new ATOM 219 N GLU A 15 -0.773 -16.398 11.268 1.00 0.54 N ATOM 220 CA GLU A 15 -0.497 -15.025 10.886 1.00 0.52 C ATOM 221 C GLU A 15 0.886 -14.614 11.373 1.00 0.52 C ATOM 222 O GLU A 15 1.354 -15.083 12.414 1.00 0.56 O ATOM 223 CB GLU A 15 -1.595 -14.095 11.409 1.00 0.53 C ATOM 224 CG GLU A 15 -1.878 -14.247 12.896 1.00 0.55 C ATOM 225 CD GLU A 15 -3.359 -14.371 13.178 1.00 0.76 C ATOM 226 OE1 GLU A 15 -4.013 -15.239 12.559 1.00 1.08 O ATOM 227 OE2 GLU A 15 -3.889 -13.577 13.988 1.00 1.49 O ATOM 0 H GLU A 15 -1.185 -16.508 12.195 1.00 0.54 H new ATOM 0 HA GLU A 15 -0.498 -14.944 9.799 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -1.309 -13.063 11.208 1.00 0.53 H new ATOM 0 HB3 GLU A 15 -2.513 -14.285 10.853 1.00 0.53 H new ATOM 0 HG2 GLU A 15 -1.361 -15.128 13.276 1.00 0.55 H new ATOM 0 HG3 GLU A 15 -1.477 -13.387 13.432 1.00 0.55 H new ATOM 234 N HIS A 16 1.554 -13.767 10.603 1.00 0.51 N ATOM 235 CA HIS A 16 2.892 -13.320 10.950 1.00 0.54 C ATOM 236 C HIS A 16 2.879 -11.925 11.582 1.00 0.52 C ATOM 237 O HIS A 16 2.200 -11.699 12.586 1.00 0.57 O ATOM 238 CB HIS A 16 3.796 -13.331 9.710 1.00 0.58 C ATOM 239 CG HIS A 16 4.033 -14.695 9.125 1.00 0.66 C ATOM 240 ND1 HIS A 16 4.951 -15.584 9.635 1.00 0.88 N ATOM 241 CD2 HIS A 16 3.478 -15.309 8.052 1.00 0.73 C ATOM 242 CE1 HIS A 16 4.955 -16.683 8.901 1.00 0.95 C ATOM 243 NE2 HIS A 16 4.071 -16.542 7.936 1.00 0.82 N ATOM 0 H HIS A 16 1.190 -13.376 9.734 1.00 0.51 H new ATOM 0 HA HIS A 16 3.289 -14.015 11.690 1.00 0.54 H new ATOM 0 HB2 HIS A 16 3.351 -12.694 8.946 1.00 0.58 H new ATOM 0 HB3 HIS A 16 4.758 -12.890 9.973 1.00 0.58 H new ATOM 0 HD2 HIS A 16 2.712 -14.904 7.408 1.00 0.73 H new ATOM 0 HE1 HIS A 16 5.578 -17.550 9.065 1.00 0.95 H new ATOM 0 HE2 HIS A 16 3.861 -17.236 7.219 1.00 0.82 H new ATOM 252 N GLY A 17 3.623 -10.999 10.984 1.00 0.51 N ATOM 253 CA GLY A 17 3.711 -9.648 11.512 1.00 0.54 C ATOM 254 C GLY A 17 2.475 -8.807 11.254 1.00 0.50 C ATOM 255 O GLY A 17 1.518 -9.255 10.614 1.00 0.48 O ATOM 0 H GLY A 17 4.170 -11.161 10.138 1.00 0.51 H new ATOM 0 HA2 GLY A 17 3.886 -9.699 12.587 1.00 0.54 H new ATOM 0 HA3 GLY A 17 4.575 -9.151 11.071 1.00 0.54 H new ATOM 259 N VAL A 18 2.516 -7.581 11.745 1.00 0.51 N ATOM 260 CA VAL A 18 1.411 -6.648 11.598 1.00 0.49 C ATOM 261 C VAL A 18 1.922 -5.265 11.179 1.00 0.49 C ATOM 262 O VAL A 18 2.812 -4.699 11.811 1.00 0.51 O ATOM 263 CB VAL A 18 0.587 -6.554 12.909 1.00 0.51 C ATOM 264 CG1 VAL A 18 1.485 -6.194 14.094 1.00 0.57 C ATOM 265 CG2 VAL A 18 -0.549 -5.537 12.771 1.00 0.51 C ATOM 0 H VAL A 18 3.314 -7.204 12.256 1.00 0.51 H new ATOM 0 HA VAL A 18 0.755 -7.023 10.813 1.00 0.49 H new ATOM 0 HB VAL A 18 0.148 -7.534 13.097 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.884 -6.134 15.001 1.00 0.57 H new ATOM 0 HG12 VAL A 18 2.251 -6.960 14.216 1.00 0.57 H new ATOM 0 HG13 VAL A 18 1.961 -5.231 13.910 1.00 0.57 H new ATOM 0 HG21 VAL A 18 -1.111 -5.491 13.704 1.00 0.51 H new ATOM 0 HG22 VAL A 18 -0.133 -4.554 12.549 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -1.213 -5.841 11.962 1.00 0.51 H new ATOM 275 N PHE A 19 1.382 -4.752 10.079 1.00 0.47 N ATOM 276 CA PHE A 19 1.766 -3.439 9.573 1.00 0.48 C ATOM 277 C PHE A 19 1.024 -2.339 10.335 1.00 0.47 C ATOM 278 O PHE A 19 0.044 -2.614 11.026 1.00 0.47 O ATOM 279 CB PHE A 19 1.459 -3.323 8.076 1.00 0.47 C ATOM 280 CG PHE A 19 2.117 -4.382 7.233 1.00 0.48 C ATOM 281 CD1 PHE A 19 3.433 -4.237 6.831 1.00 0.51 C ATOM 282 CD2 PHE A 19 1.424 -5.520 6.841 1.00 0.52 C ATOM 283 CE1 PHE A 19 4.048 -5.199 6.057 1.00 0.56 C ATOM 284 CE2 PHE A 19 2.033 -6.488 6.066 1.00 0.56 C ATOM 285 CZ PHE A 19 3.348 -6.327 5.674 1.00 0.56 C ATOM 0 H PHE A 19 0.674 -5.227 9.519 1.00 0.47 H new ATOM 0 HA PHE A 19 2.839 -3.320 9.722 1.00 0.48 H new ATOM 0 HB2 PHE A 19 0.380 -3.376 7.932 1.00 0.47 H new ATOM 0 HB3 PHE A 19 1.779 -2.342 7.725 1.00 0.47 H new ATOM 0 HD1 PHE A 19 3.986 -3.358 7.127 1.00 0.51 H new ATOM 0 HD2 PHE A 19 0.396 -5.650 7.146 1.00 0.52 H new ATOM 0 HE1 PHE A 19 5.076 -5.071 5.751 1.00 0.56 H new ATOM 0 HE2 PHE A 19 1.483 -7.368 5.767 1.00 0.56 H new ATOM 0 HZ PHE A 19 3.828 -7.082 5.069 1.00 0.56 H new ATOM 295 N THR A 20 1.467 -1.099 10.166 1.00 0.47 N ATOM 296 CA THR A 20 0.866 0.047 10.845 1.00 0.47 C ATOM 297 C THR A 20 0.819 1.253 9.890 1.00 0.47 C ATOM 298 O THR A 20 1.475 2.267 10.134 1.00 0.47 O ATOM 299 CB THR A 20 1.697 0.444 12.111 1.00 0.49 C ATOM 300 OG1 THR A 20 3.036 0.764 11.711 1.00 0.51 O ATOM 301 CG2 THR A 20 1.771 -0.665 13.167 1.00 0.51 C ATOM 0 H THR A 20 2.249 -0.858 9.558 1.00 0.47 H new ATOM 0 HA THR A 20 -0.142 -0.233 11.151 1.00 0.47 H new ATOM 0 HB THR A 20 1.187 1.295 12.562 1.00 0.49 H new ATOM 0 HG1 THR A 20 3.017 1.494 11.057 1.00 0.51 H new ATOM 0 HG21 THR A 20 2.362 -0.320 14.016 1.00 0.51 H new ATOM 0 HG22 THR A 20 0.765 -0.915 13.503 1.00 0.51 H new ATOM 0 HG23 THR A 20 2.239 -1.549 12.734 1.00 0.51 H new ATOM 309 N GLY A 21 0.072 1.144 8.791 1.00 0.48 N ATOM 310 CA GLY A 21 0.013 2.250 7.847 1.00 0.51 C ATOM 311 C GLY A 21 -1.404 2.619 7.476 1.00 0.46 C ATOM 312 O GLY A 21 -2.257 2.751 8.346 1.00 0.50 O ATOM 0 H GLY A 21 -0.483 0.326 8.541 1.00 0.48 H new ATOM 0 HA2 GLY A 21 0.510 3.119 8.279 1.00 0.51 H new ATOM 0 HA3 GLY A 21 0.564 1.983 6.945 1.00 0.51 H new ATOM 316 N LYS A 22 -1.660 2.803 6.195 1.00 0.40 N ATOM 317 CA LYS A 22 -3.006 3.140 5.760 1.00 0.38 C ATOM 318 C LYS A 22 -3.189 2.888 4.275 1.00 0.36 C ATOM 319 O LYS A 22 -4.266 2.484 3.846 1.00 0.42 O ATOM 320 CB LYS A 22 -3.333 4.605 6.095 1.00 0.45 C ATOM 321 CG LYS A 22 -4.822 4.890 6.255 1.00 0.90 C ATOM 322 CD LYS A 22 -5.334 5.898 5.232 1.00 1.62 C ATOM 323 CE LYS A 22 -4.559 7.211 5.270 1.00 1.99 C ATOM 324 NZ LYS A 22 -4.369 7.723 6.652 1.00 2.07 N ATOM 0 H LYS A 22 -0.970 2.727 5.448 1.00 0.40 H new ATOM 0 HA LYS A 22 -3.698 2.492 6.299 1.00 0.38 H new ATOM 0 HB2 LYS A 22 -2.821 4.879 7.017 1.00 0.45 H new ATOM 0 HB3 LYS A 22 -2.934 5.244 5.307 1.00 0.45 H new ATOM 0 HG2 LYS A 22 -5.380 3.959 6.155 1.00 0.90 H new ATOM 0 HG3 LYS A 22 -5.011 5.268 7.260 1.00 0.90 H new ATOM 0 HD2 LYS A 22 -5.263 5.466 4.234 1.00 1.62 H new ATOM 0 HD3 LYS A 22 -6.389 6.097 5.419 1.00 1.62 H new ATOM 0 HE2 LYS A 22 -3.585 7.067 4.803 1.00 1.99 H new ATOM 0 HE3 LYS A 22 -5.089 7.958 4.679 1.00 1.99 H new ATOM 0 HZ1 LYS A 22 -4.023 8.703 6.615 1.00 2.07 H new ATOM 0 HZ2 LYS A 22 -5.276 7.695 7.160 1.00 2.07 H new ATOM 0 HZ3 LYS A 22 -3.675 7.129 7.150 1.00 2.07 H new ATOM 338 N GLN A 23 -2.156 3.152 3.486 1.00 0.30 N ATOM 339 CA GLN A 23 -2.238 2.932 2.048 1.00 0.31 C ATOM 340 C GLN A 23 -1.938 1.475 1.689 1.00 0.29 C ATOM 341 O GLN A 23 -0.803 1.010 1.816 1.00 0.31 O ATOM 342 CB GLN A 23 -1.308 3.887 1.299 1.00 0.33 C ATOM 343 CG GLN A 23 -2.056 5.018 0.603 1.00 0.62 C ATOM 344 CD GLN A 23 -3.292 5.462 1.370 1.00 0.42 C ATOM 345 OE1 GLN A 23 -4.381 4.920 1.190 1.00 0.57 O ATOM 346 NE2 GLN A 23 -3.133 6.447 2.236 1.00 0.44 N ATOM 0 H GLN A 23 -1.260 3.515 3.813 1.00 0.30 H new ATOM 0 HA GLN A 23 -3.261 3.142 1.736 1.00 0.31 H new ATOM 0 HB2 GLN A 23 -0.589 4.311 2.000 1.00 0.33 H new ATOM 0 HB3 GLN A 23 -0.738 3.325 0.559 1.00 0.33 H new ATOM 0 HG2 GLN A 23 -1.386 5.869 0.478 1.00 0.62 H new ATOM 0 HG3 GLN A 23 -2.350 4.694 -0.395 1.00 0.62 H new ATOM 0 HE21 GLN A 23 -2.215 6.874 2.360 1.00 0.44 H new ATOM 0 HE22 GLN A 23 -3.928 6.781 2.781 1.00 0.44 H new ATOM 355 N PRO A 24 -2.971 0.742 1.227 1.00 0.27 N ATOM 356 CA PRO A 24 -2.861 -0.674 0.847 1.00 0.27 C ATOM 357 C PRO A 24 -1.795 -0.929 -0.210 1.00 0.26 C ATOM 358 O PRO A 24 -1.180 -1.993 -0.225 1.00 0.26 O ATOM 359 CB PRO A 24 -4.247 -1.006 0.287 1.00 0.28 C ATOM 360 CG PRO A 24 -5.156 -0.011 0.903 1.00 0.29 C ATOM 361 CD PRO A 24 -4.345 1.245 1.038 1.00 0.29 C ATOM 0 HA PRO A 24 -2.564 -1.288 1.697 1.00 0.27 H new ATOM 0 HB2 PRO A 24 -4.261 -0.934 -0.801 1.00 0.28 H new ATOM 0 HB3 PRO A 24 -4.543 -2.023 0.543 1.00 0.28 H new ATOM 0 HG2 PRO A 24 -6.035 0.155 0.281 1.00 0.29 H new ATOM 0 HG3 PRO A 24 -5.513 -0.354 1.874 1.00 0.29 H new ATOM 0 HD2 PRO A 24 -4.425 1.873 0.151 1.00 0.29 H new ATOM 0 HD3 PRO A 24 -4.673 1.847 1.885 1.00 0.29 H new ATOM 369 N ARG A 25 -1.583 0.047 -1.086 1.00 0.27 N ATOM 370 CA ARG A 25 -0.589 -0.064 -2.152 1.00 0.28 C ATOM 371 C ARG A 25 0.782 -0.469 -1.609 1.00 0.29 C ATOM 372 O ARG A 25 1.374 -1.445 -2.065 1.00 0.30 O ATOM 373 CB ARG A 25 -0.469 1.260 -2.907 1.00 0.30 C ATOM 374 CG ARG A 25 -1.593 1.501 -3.902 1.00 0.35 C ATOM 375 CD ARG A 25 -1.148 2.401 -5.046 1.00 0.39 C ATOM 376 NE ARG A 25 -0.997 3.802 -4.635 1.00 0.39 N ATOM 377 CZ ARG A 25 -1.601 4.829 -5.241 1.00 0.45 C ATOM 378 NH1 ARG A 25 -2.385 4.628 -6.294 1.00 0.50 N ATOM 379 NH2 ARG A 25 -1.415 6.064 -4.797 1.00 0.56 N ATOM 0 H ARG A 25 -2.090 0.932 -1.080 1.00 0.27 H new ATOM 0 HA ARG A 25 -0.929 -0.844 -2.833 1.00 0.28 H new ATOM 0 HB2 ARG A 25 -0.452 2.078 -2.187 1.00 0.30 H new ATOM 0 HB3 ARG A 25 0.484 1.281 -3.436 1.00 0.30 H new ATOM 0 HG2 ARG A 25 -1.936 0.547 -4.302 1.00 0.35 H new ATOM 0 HG3 ARG A 25 -2.441 1.955 -3.390 1.00 0.35 H new ATOM 0 HD2 ARG A 25 -0.199 2.038 -5.441 1.00 0.39 H new ATOM 0 HD3 ARG A 25 -1.875 2.340 -5.856 1.00 0.39 H new ATOM 0 HE ARG A 25 -0.394 4.004 -3.838 1.00 0.39 H new ATOM 0 HH11 ARG A 25 -2.531 3.683 -6.648 1.00 0.50 H new ATOM 0 HH12 ARG A 25 -2.841 5.419 -6.749 1.00 0.50 H new ATOM 0 HH21 ARG A 25 -0.811 6.231 -3.992 1.00 0.56 H new ATOM 0 HH22 ARG A 25 -1.876 6.847 -5.260 1.00 0.56 H new ATOM 393 N GLN A 26 1.267 0.261 -0.612 1.00 0.31 N ATOM 394 CA GLN A 26 2.576 -0.022 -0.031 1.00 0.34 C ATOM 395 C GLN A 26 2.480 -1.114 1.036 1.00 0.30 C ATOM 396 O GLN A 26 3.493 -1.606 1.533 1.00 0.31 O ATOM 397 CB GLN A 26 3.172 1.254 0.570 1.00 0.42 C ATOM 398 CG GLN A 26 4.692 1.317 0.513 1.00 0.71 C ATOM 399 CD GLN A 26 5.265 2.279 1.532 1.00 1.09 C ATOM 400 OE1 GLN A 26 5.465 1.914 2.693 1.00 1.21 O ATOM 401 NE2 GLN A 26 5.546 3.502 1.110 1.00 1.45 N ATOM 0 H GLN A 26 0.777 1.050 -0.190 1.00 0.31 H new ATOM 0 HA GLN A 26 3.230 -0.382 -0.825 1.00 0.34 H new ATOM 0 HB2 GLN A 26 2.763 2.116 0.043 1.00 0.42 H new ATOM 0 HB3 GLN A 26 2.854 1.336 1.609 1.00 0.42 H new ATOM 0 HG2 GLN A 26 5.102 0.322 0.686 1.00 0.71 H new ATOM 0 HG3 GLN A 26 5.004 1.621 -0.486 1.00 0.71 H new ATOM 0 HE21 GLN A 26 5.364 3.761 0.140 1.00 1.45 H new ATOM 0 HE22 GLN A 26 5.944 4.185 1.754 1.00 1.45 H new ATOM 410 N ALA A 27 1.260 -1.515 1.361 1.00 0.28 N ATOM 411 CA ALA A 27 1.049 -2.552 2.368 1.00 0.27 C ATOM 412 C ALA A 27 1.122 -3.911 1.693 1.00 0.24 C ATOM 413 O ALA A 27 1.715 -4.855 2.214 1.00 0.24 O ATOM 414 CB ALA A 27 -0.299 -2.363 3.077 1.00 0.28 C ATOM 0 H ALA A 27 0.405 -1.143 0.947 1.00 0.28 H new ATOM 0 HA ALA A 27 1.826 -2.482 3.129 1.00 0.27 H new ATOM 0 HB1 ALA A 27 -0.432 -3.148 3.822 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -0.319 -1.390 3.568 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -1.105 -2.417 2.346 1.00 0.28 H new ATOM 420 N ALA A 28 0.547 -3.981 0.503 1.00 0.23 N ATOM 421 CA ALA A 28 0.553 -5.200 -0.279 1.00 0.22 C ATOM 422 C ALA A 28 1.934 -5.387 -0.878 1.00 0.23 C ATOM 423 O ALA A 28 2.345 -6.496 -1.213 1.00 0.24 O ATOM 424 CB ALA A 28 -0.505 -5.128 -1.368 1.00 0.22 C ATOM 0 H ALA A 28 0.067 -3.199 0.057 1.00 0.23 H new ATOM 0 HA ALA A 28 0.319 -6.053 0.358 1.00 0.22 H new ATOM 0 HB1 ALA A 28 -0.492 -6.050 -1.950 1.00 0.22 H new ATOM 0 HB2 ALA A 28 -1.487 -5.000 -0.913 1.00 0.22 H new ATOM 0 HB3 ALA A 28 -0.296 -4.282 -2.023 1.00 0.22 H new ATOM 430 N LEU A 29 2.644 -4.270 -0.991 1.00 0.25 N ATOM 431 CA LEU A 29 3.992 -4.255 -1.522 1.00 0.27 C ATOM 432 C LEU A 29 4.907 -5.131 -0.670 1.00 0.27 C ATOM 433 O LEU A 29 5.578 -6.025 -1.180 1.00 0.29 O ATOM 434 CB LEU A 29 4.511 -2.814 -1.550 1.00 0.31 C ATOM 435 CG LEU A 29 5.719 -2.559 -2.455 1.00 0.34 C ATOM 436 CD1 LEU A 29 5.369 -2.837 -3.925 1.00 0.44 C ATOM 437 CD2 LEU A 29 6.232 -1.132 -2.239 1.00 0.39 C ATOM 0 H LEU A 29 2.296 -3.352 -0.715 1.00 0.25 H new ATOM 0 HA LEU A 29 3.983 -4.654 -2.536 1.00 0.27 H new ATOM 0 HB2 LEU A 29 3.698 -2.161 -1.868 1.00 0.31 H new ATOM 0 HB3 LEU A 29 4.775 -2.523 -0.533 1.00 0.31 H new ATOM 0 HG LEU A 29 6.522 -3.247 -2.191 1.00 0.34 H new ATOM 0 HD11 LEU A 29 6.243 -2.649 -4.549 1.00 0.44 H new ATOM 0 HD12 LEU A 29 5.061 -3.877 -4.035 1.00 0.44 H new ATOM 0 HD13 LEU A 29 4.554 -2.183 -4.235 1.00 0.44 H new ATOM 0 HD21 LEU A 29 7.092 -0.953 -2.884 1.00 0.39 H new ATOM 0 HD22 LEU A 29 5.442 -0.421 -2.481 1.00 0.39 H new ATOM 0 HD23 LEU A 29 6.527 -1.005 -1.197 1.00 0.39 H new ATOM 449 N LYS A 30 4.910 -4.881 0.637 1.00 0.26 N ATOM 450 CA LYS A 30 5.742 -5.646 1.560 1.00 0.27 C ATOM 451 C LYS A 30 5.171 -7.040 1.829 1.00 0.25 C ATOM 452 O LYS A 30 5.844 -7.886 2.417 1.00 0.26 O ATOM 453 CB LYS A 30 5.918 -4.875 2.871 1.00 0.32 C ATOM 454 CG LYS A 30 7.027 -3.835 2.815 1.00 0.50 C ATOM 455 CD LYS A 30 6.875 -2.779 3.903 1.00 0.53 C ATOM 456 CE LYS A 30 5.882 -1.696 3.507 1.00 0.70 C ATOM 457 NZ LYS A 30 6.296 -0.355 4.004 1.00 1.30 N ATOM 0 H LYS A 30 4.346 -4.155 1.080 1.00 0.26 H new ATOM 0 HA LYS A 30 6.716 -5.783 1.090 1.00 0.27 H new ATOM 0 HB2 LYS A 30 4.979 -4.381 3.123 1.00 0.32 H new ATOM 0 HB3 LYS A 30 6.132 -5.581 3.673 1.00 0.32 H new ATOM 0 HG2 LYS A 30 7.993 -4.329 2.922 1.00 0.50 H new ATOM 0 HG3 LYS A 30 7.022 -3.352 1.838 1.00 0.50 H new ATOM 0 HD2 LYS A 30 6.545 -3.254 4.827 1.00 0.53 H new ATOM 0 HD3 LYS A 30 7.845 -2.325 4.107 1.00 0.53 H new ATOM 0 HE2 LYS A 30 5.789 -1.668 2.421 1.00 0.70 H new ATOM 0 HE3 LYS A 30 4.898 -1.943 3.905 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 5.800 0.383 3.465 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 6.056 -0.269 5.012 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 7.323 -0.241 3.882 1.00 1.30 H new ATOM 471 N ALA A 31 3.938 -7.280 1.397 1.00 0.22 N ATOM 472 CA ALA A 31 3.306 -8.584 1.588 1.00 0.21 C ATOM 473 C ALA A 31 3.998 -9.611 0.699 1.00 0.21 C ATOM 474 O ALA A 31 4.204 -10.761 1.085 1.00 0.22 O ATOM 475 CB ALA A 31 1.804 -8.511 1.252 1.00 0.21 C ATOM 0 H ALA A 31 3.357 -6.594 0.915 1.00 0.22 H new ATOM 0 HA ALA A 31 3.405 -8.882 2.632 1.00 0.21 H new ATOM 0 HB1 ALA A 31 1.350 -9.491 1.400 1.00 0.21 H new ATOM 0 HB2 ALA A 31 1.320 -7.785 1.905 1.00 0.21 H new ATOM 0 HB3 ALA A 31 1.678 -8.206 0.213 1.00 0.21 H new ATOM 481 N ALA A 32 4.362 -9.159 -0.494 1.00 0.22 N ATOM 482 CA ALA A 32 5.052 -9.982 -1.484 1.00 0.24 C ATOM 483 C ALA A 32 6.469 -10.362 -1.047 1.00 0.23 C ATOM 484 O ALA A 32 7.202 -10.985 -1.816 1.00 0.24 O ATOM 485 CB ALA A 32 5.117 -9.217 -2.803 1.00 0.28 C ATOM 0 H ALA A 32 4.186 -8.204 -0.806 1.00 0.22 H new ATOM 0 HA ALA A 32 4.489 -10.909 -1.596 1.00 0.24 H new ATOM 0 HB1 ALA A 32 5.631 -9.822 -3.550 1.00 0.28 H new ATOM 0 HB2 ALA A 32 4.106 -8.997 -3.146 1.00 0.28 H new ATOM 0 HB3 ALA A 32 5.661 -8.284 -2.656 1.00 0.28 H new ATOM 491 N ASN A 33 6.874 -10.011 0.177 1.00 0.23 N ATOM 492 CA ASN A 33 8.217 -10.330 0.655 1.00 0.24 C ATOM 493 C ASN A 33 8.294 -11.752 1.200 1.00 0.24 C ATOM 494 O ASN A 33 9.244 -12.102 1.900 1.00 0.26 O ATOM 495 CB ASN A 33 8.630 -9.346 1.762 1.00 0.26 C ATOM 496 CG ASN A 33 9.183 -8.033 1.236 1.00 0.37 C ATOM 497 OD1 ASN A 33 8.971 -7.665 0.081 1.00 0.64 O ATOM 498 ND2 ASN A 33 9.894 -7.307 2.090 1.00 0.65 N ATOM 0 H ASN A 33 6.293 -9.509 0.849 1.00 0.23 H new ATOM 0 HA ASN A 33 8.896 -10.246 -0.194 1.00 0.24 H new ATOM 0 HB2 ASN A 33 7.766 -9.139 2.393 1.00 0.26 H new ATOM 0 HB3 ASN A 33 9.381 -9.819 2.395 1.00 0.26 H new ATOM 0 HD21 ASN A 33 10.285 -6.412 1.796 1.00 0.65 H new ATOM 0 HD22 ASN A 33 10.049 -7.644 3.040 1.00 0.65 H new ATOM 505 N ARG A 34 7.289 -12.564 0.882 1.00 0.24 N ATOM 506 CA ARG A 34 7.237 -13.954 1.332 1.00 0.27 C ATOM 507 C ARG A 34 8.516 -14.701 0.967 1.00 0.28 C ATOM 508 O ARG A 34 8.995 -15.545 1.726 1.00 0.35 O ATOM 509 CB ARG A 34 6.021 -14.660 0.726 1.00 0.29 C ATOM 510 CG ARG A 34 4.726 -14.355 1.460 1.00 0.32 C ATOM 511 CD ARG A 34 4.170 -15.588 2.155 1.00 0.34 C ATOM 512 NE ARG A 34 3.689 -16.579 1.197 1.00 0.33 N ATOM 513 CZ ARG A 34 3.504 -17.867 1.476 1.00 0.38 C ATOM 514 NH1 ARG A 34 3.762 -18.334 2.695 1.00 0.43 N ATOM 515 NH2 ARG A 34 3.068 -18.686 0.527 1.00 0.43 N ATOM 0 H ARG A 34 6.493 -12.281 0.310 1.00 0.24 H new ATOM 0 HA ARG A 34 7.145 -13.954 2.418 1.00 0.27 H new ATOM 0 HB2 ARG A 34 5.919 -14.362 -0.318 1.00 0.29 H new ATOM 0 HB3 ARG A 34 6.192 -15.737 0.735 1.00 0.29 H new ATOM 0 HG2 ARG A 34 4.901 -13.570 2.196 1.00 0.32 H new ATOM 0 HG3 ARG A 34 3.989 -13.972 0.754 1.00 0.32 H new ATOM 0 HD2 ARG A 34 4.944 -16.033 2.781 1.00 0.34 H new ATOM 0 HD3 ARG A 34 3.354 -15.296 2.816 1.00 0.34 H new ATOM 0 HE ARG A 34 3.481 -16.263 0.250 1.00 0.33 H new ATOM 0 HH11 ARG A 34 4.103 -17.704 3.421 1.00 0.43 H new ATOM 0 HH12 ARG A 34 3.618 -19.322 2.904 1.00 0.43 H new ATOM 0 HH21 ARG A 34 2.877 -18.327 -0.408 1.00 0.43 H new ATOM 0 HH22 ARG A 34 2.924 -19.674 0.733 1.00 0.43 H new ATOM 529 N GLY A 35 9.069 -14.383 -0.195 1.00 0.28 N ATOM 530 CA GLY A 35 10.292 -15.027 -0.622 1.00 0.29 C ATOM 531 C GLY A 35 10.019 -16.363 -1.267 1.00 0.29 C ATOM 532 O GLY A 35 10.759 -17.324 -1.064 1.00 0.34 O ATOM 0 H GLY A 35 8.694 -13.694 -0.846 1.00 0.28 H new ATOM 0 HA2 GLY A 35 10.817 -14.382 -1.327 1.00 0.29 H new ATOM 0 HA3 GLY A 35 10.951 -15.164 0.236 1.00 0.29 H new ATOM 536 N SER A 36 8.944 -16.423 -2.028 1.00 0.28 N ATOM 537 CA SER A 36 8.557 -17.639 -2.712 1.00 0.30 C ATOM 538 C SER A 36 9.416 -17.835 -3.958 1.00 0.29 C ATOM 539 O SER A 36 9.241 -17.145 -4.959 1.00 0.33 O ATOM 540 CB SER A 36 7.080 -17.553 -3.080 1.00 0.34 C ATOM 541 OG SER A 36 6.510 -16.360 -2.559 1.00 0.59 O ATOM 0 H SER A 36 8.318 -15.634 -2.189 1.00 0.28 H new ATOM 0 HA SER A 36 8.712 -18.497 -2.058 1.00 0.30 H new ATOM 0 HB2 SER A 36 6.967 -17.575 -4.164 1.00 0.34 H new ATOM 0 HB3 SER A 36 6.549 -18.420 -2.686 1.00 0.34 H new ATOM 0 HG SER A 36 5.684 -16.575 -2.077 1.00 0.59 H new ATOM 547 N GLY A 37 10.363 -18.763 -3.877 1.00 0.29 N ATOM 548 CA GLY A 37 11.237 -19.027 -5.002 1.00 0.32 C ATOM 549 C GLY A 37 12.185 -17.879 -5.285 1.00 0.33 C ATOM 550 O GLY A 37 13.201 -17.730 -4.607 1.00 0.36 O ATOM 0 H GLY A 37 10.540 -19.336 -3.052 1.00 0.29 H new ATOM 0 HA2 GLY A 37 11.815 -19.930 -4.805 1.00 0.32 H new ATOM 0 HA3 GLY A 37 10.633 -19.222 -5.888 1.00 0.32 H new ATOM 554 N THR A 38 11.830 -17.050 -6.264 1.00 0.35 N ATOM 555 CA THR A 38 12.645 -15.904 -6.664 1.00 0.40 C ATOM 556 C THR A 38 11.856 -15.007 -7.624 1.00 0.38 C ATOM 557 O THR A 38 11.010 -14.228 -7.193 1.00 0.39 O ATOM 558 CB THR A 38 13.975 -16.334 -7.332 1.00 0.49 C ATOM 559 OG1 THR A 38 13.850 -17.655 -7.874 1.00 0.55 O ATOM 560 CG2 THR A 38 15.135 -16.288 -6.345 1.00 0.60 C ATOM 0 H THR A 38 10.970 -17.153 -6.802 1.00 0.35 H new ATOM 0 HA THR A 38 12.892 -15.353 -5.757 1.00 0.40 H new ATOM 0 HB THR A 38 14.187 -15.629 -8.136 1.00 0.49 H new ATOM 0 HG1 THR A 38 14.695 -17.917 -8.295 1.00 0.55 H new ATOM 0 HG21 THR A 38 16.052 -16.596 -6.847 1.00 0.60 H new ATOM 0 HG22 THR A 38 15.251 -15.272 -5.967 1.00 0.60 H new ATOM 0 HG23 THR A 38 14.932 -16.963 -5.514 1.00 0.60 H new ATOM 568 N LYS A 39 12.145 -15.115 -8.922 1.00 0.40 N ATOM 569 CA LYS A 39 11.449 -14.326 -9.939 1.00 0.42 C ATOM 570 C LYS A 39 10.089 -14.947 -10.267 1.00 0.39 C ATOM 571 O LYS A 39 9.078 -14.593 -9.666 1.00 0.39 O ATOM 572 CB LYS A 39 12.316 -14.207 -11.201 1.00 0.49 C ATOM 573 CG LYS A 39 11.673 -13.412 -12.330 1.00 0.70 C ATOM 574 CD LYS A 39 12.633 -13.219 -13.495 1.00 0.84 C ATOM 575 CE LYS A 39 11.892 -13.064 -14.814 1.00 0.82 C ATOM 576 NZ LYS A 39 10.779 -12.084 -14.714 1.00 0.94 N ATOM 0 H LYS A 39 12.858 -15.743 -9.294 1.00 0.40 H new ATOM 0 HA LYS A 39 11.274 -13.325 -9.545 1.00 0.42 H new ATOM 0 HB2 LYS A 39 13.263 -13.737 -10.934 1.00 0.49 H new ATOM 0 HB3 LYS A 39 12.548 -15.208 -11.564 1.00 0.49 H new ATOM 0 HG2 LYS A 39 10.778 -13.929 -12.677 1.00 0.70 H new ATOM 0 HG3 LYS A 39 11.354 -12.439 -11.955 1.00 0.70 H new ATOM 0 HD2 LYS A 39 13.248 -12.337 -13.317 1.00 0.84 H new ATOM 0 HD3 LYS A 39 13.309 -14.072 -13.555 1.00 0.84 H new ATOM 0 HE2 LYS A 39 12.590 -12.742 -15.587 1.00 0.82 H new ATOM 0 HE3 LYS A 39 11.497 -14.031 -15.124 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 10.466 -11.816 -15.669 1.00 0.94 H new ATOM 0 HZ2 LYS A 39 9.985 -12.512 -14.196 1.00 0.94 H new ATOM 0 HZ3 LYS A 39 11.107 -11.237 -14.207 1.00 0.94 H new ATOM 590 N ALA A 40 10.062 -15.869 -11.222 1.00 0.39 N ATOM 591 CA ALA A 40 8.819 -16.521 -11.602 1.00 0.38 C ATOM 592 C ALA A 40 8.380 -17.503 -10.526 1.00 0.36 C ATOM 593 O ALA A 40 8.967 -18.580 -10.370 1.00 0.37 O ATOM 594 CB ALA A 40 8.974 -17.211 -12.951 1.00 0.41 C ATOM 0 H ALA A 40 10.882 -16.179 -11.743 1.00 0.39 H new ATOM 0 HA ALA A 40 8.041 -15.764 -11.699 1.00 0.38 H new ATOM 0 HB1 ALA A 40 8.036 -17.695 -13.222 1.00 0.41 H new ATOM 0 HB2 ALA A 40 9.234 -16.473 -13.710 1.00 0.41 H new ATOM 0 HB3 ALA A 40 9.763 -17.960 -12.888 1.00 0.41 H new ATOM 600 N ASN A 41 7.342 -17.120 -9.789 1.00 0.34 N ATOM 601 CA ASN A 41 6.803 -17.934 -8.707 1.00 0.33 C ATOM 602 C ASN A 41 5.605 -17.230 -8.079 1.00 0.35 C ATOM 603 O ASN A 41 5.769 -16.416 -7.171 1.00 0.48 O ATOM 604 CB ASN A 41 7.856 -18.175 -7.625 1.00 0.34 C ATOM 605 CG ASN A 41 7.585 -19.445 -6.825 1.00 0.38 C ATOM 606 OD1 ASN A 41 6.841 -19.421 -5.844 1.00 0.57 O ATOM 607 ND2 ASN A 41 8.175 -20.568 -7.230 1.00 0.50 N ATOM 0 H ASN A 41 6.851 -16.236 -9.926 1.00 0.34 H new ATOM 0 HA ASN A 41 6.499 -18.893 -9.126 1.00 0.33 H new ATOM 0 HB2 ASN A 41 8.840 -18.243 -8.088 1.00 0.34 H new ATOM 0 HB3 ASN A 41 7.881 -17.321 -6.949 1.00 0.34 H new ATOM 0 HD21 ASN A 41 8.016 -21.439 -6.724 1.00 0.50 H new ATOM 0 HD22 ASN A 41 8.786 -20.557 -8.046 1.00 0.50 H new ATOM 614 N PRO A 42 4.390 -17.506 -8.577 1.00 0.35 N ATOM 615 CA PRO A 42 3.166 -16.897 -8.045 1.00 0.38 C ATOM 616 C PRO A 42 2.964 -17.230 -6.570 1.00 0.31 C ATOM 617 O PRO A 42 3.453 -18.251 -6.083 1.00 0.31 O ATOM 618 CB PRO A 42 2.051 -17.523 -8.895 1.00 0.48 C ATOM 619 CG PRO A 42 2.728 -18.031 -10.120 1.00 0.70 C ATOM 620 CD PRO A 42 4.113 -18.425 -9.691 1.00 0.48 C ATOM 0 HA PRO A 42 3.191 -15.809 -8.098 1.00 0.38 H new ATOM 0 HB2 PRO A 42 1.553 -18.330 -8.358 1.00 0.48 H new ATOM 0 HB3 PRO A 42 1.287 -16.787 -9.145 1.00 0.48 H new ATOM 0 HG2 PRO A 42 2.191 -18.883 -10.538 1.00 0.70 H new ATOM 0 HG3 PRO A 42 2.762 -17.264 -10.894 1.00 0.70 H new ATOM 0 HD2 PRO A 42 4.156 -19.467 -9.374 1.00 0.48 H new ATOM 0 HD3 PRO A 42 4.834 -18.308 -10.500 1.00 0.48 H new ATOM 628 N ASP A 43 2.222 -16.385 -5.867 1.00 0.28 N ATOM 629 CA ASP A 43 1.963 -16.583 -4.450 1.00 0.25 C ATOM 630 C ASP A 43 0.674 -15.886 -4.088 1.00 0.25 C ATOM 631 O ASP A 43 0.269 -14.940 -4.759 1.00 0.28 O ATOM 632 CB ASP A 43 3.106 -16.035 -3.591 1.00 0.24 C ATOM 633 CG ASP A 43 2.986 -16.463 -2.142 1.00 0.30 C ATOM 634 OD1 ASP A 43 2.581 -17.620 -1.892 1.00 0.33 O ATOM 635 OD2 ASP A 43 3.288 -15.648 -1.250 1.00 0.51 O ATOM 0 H ASP A 43 1.787 -15.550 -6.260 1.00 0.28 H new ATOM 0 HA ASP A 43 1.884 -17.653 -4.256 1.00 0.25 H new ATOM 0 HB2 ASP A 43 4.059 -16.380 -3.993 1.00 0.24 H new ATOM 0 HB3 ASP A 43 3.112 -14.946 -3.648 1.00 0.24 H new ATOM 640 N ILE A 44 0.030 -16.356 -3.043 1.00 0.25 N ATOM 641 CA ILE A 44 -1.226 -15.786 -2.614 1.00 0.26 C ATOM 642 C ILE A 44 -1.314 -15.756 -1.098 1.00 0.25 C ATOM 643 O ILE A 44 -1.238 -16.790 -0.431 1.00 0.31 O ATOM 644 CB ILE A 44 -2.409 -16.567 -3.231 1.00 0.32 C ATOM 645 CG1 ILE A 44 -2.834 -15.913 -4.554 1.00 0.46 C ATOM 646 CG2 ILE A 44 -3.593 -16.647 -2.266 1.00 0.37 C ATOM 647 CD1 ILE A 44 -3.915 -16.666 -5.301 1.00 0.57 C ATOM 0 H ILE A 44 0.358 -17.135 -2.473 1.00 0.25 H new ATOM 0 HA ILE A 44 -1.280 -14.756 -2.967 1.00 0.26 H new ATOM 0 HB ILE A 44 -2.078 -17.587 -3.427 1.00 0.32 H new ATOM 0 HG12 ILE A 44 -3.186 -14.902 -4.350 1.00 0.46 H new ATOM 0 HG13 ILE A 44 -1.960 -15.821 -5.198 1.00 0.46 H new ATOM 0 HG21 ILE A 44 -4.406 -17.203 -2.733 1.00 0.37 H new ATOM 0 HG22 ILE A 44 -3.284 -17.155 -1.352 1.00 0.37 H new ATOM 0 HG23 ILE A 44 -3.934 -15.640 -2.024 1.00 0.37 H new ATOM 0 HD11 ILE A 44 -4.156 -16.137 -6.223 1.00 0.57 H new ATOM 0 HD12 ILE A 44 -3.561 -17.669 -5.540 1.00 0.57 H new ATOM 0 HD13 ILE A 44 -4.807 -16.735 -4.678 1.00 0.57 H new ATOM 659 N ILE A 45 -1.476 -14.561 -0.554 1.00 0.23 N ATOM 660 CA ILE A 45 -1.575 -14.384 0.882 1.00 0.23 C ATOM 661 C ILE A 45 -2.697 -13.418 1.226 1.00 0.23 C ATOM 662 O ILE A 45 -3.236 -12.740 0.352 1.00 0.29 O ATOM 663 CB ILE A 45 -0.238 -13.925 1.527 1.00 0.24 C ATOM 664 CG1 ILE A 45 0.616 -13.074 0.552 1.00 0.25 C ATOM 665 CG2 ILE A 45 0.533 -15.162 1.992 1.00 0.26 C ATOM 666 CD1 ILE A 45 -0.107 -11.868 -0.026 1.00 0.29 C ATOM 0 H ILE A 45 -1.542 -13.696 -1.090 1.00 0.23 H new ATOM 0 HA ILE A 45 -1.805 -15.362 1.304 1.00 0.23 H new ATOM 0 HB ILE A 45 -0.462 -13.285 2.380 1.00 0.24 H new ATOM 0 HG12 ILE A 45 1.509 -12.731 1.075 1.00 0.25 H new ATOM 0 HG13 ILE A 45 0.951 -13.709 -0.268 1.00 0.25 H new ATOM 0 HG21 ILE A 45 1.474 -14.854 2.447 1.00 0.26 H new ATOM 0 HG22 ILE A 45 -0.062 -15.708 2.724 1.00 0.26 H new ATOM 0 HG23 ILE A 45 0.737 -15.806 1.137 1.00 0.26 H new ATOM 0 HD11 ILE A 45 0.562 -11.329 -0.697 1.00 0.29 H new ATOM 0 HD12 ILE A 45 -0.985 -12.201 -0.580 1.00 0.29 H new ATOM 0 HD13 ILE A 45 -0.418 -11.208 0.784 1.00 0.29 H new ATOM 678 N ARG A 46 -3.035 -13.368 2.497 1.00 0.26 N ATOM 679 CA ARG A 46 -4.132 -12.524 2.943 1.00 0.27 C ATOM 680 C ARG A 46 -3.823 -11.764 4.220 1.00 0.28 C ATOM 681 O ARG A 46 -3.394 -12.337 5.216 1.00 0.34 O ATOM 682 CB ARG A 46 -5.407 -13.356 3.127 1.00 0.29 C ATOM 683 CG ARG A 46 -5.173 -14.728 3.743 1.00 0.31 C ATOM 684 CD ARG A 46 -5.605 -15.840 2.801 1.00 0.35 C ATOM 685 NE ARG A 46 -4.494 -16.340 1.993 1.00 0.36 N ATOM 686 CZ ARG A 46 -4.037 -17.591 2.054 1.00 0.37 C ATOM 687 NH1 ARG A 46 -4.593 -18.468 2.883 1.00 0.63 N ATOM 688 NH2 ARG A 46 -3.019 -17.975 1.296 1.00 0.39 N ATOM 0 H ARG A 46 -2.573 -13.896 3.237 1.00 0.26 H new ATOM 0 HA ARG A 46 -4.283 -11.780 2.161 1.00 0.27 H new ATOM 0 HB2 ARG A 46 -6.102 -12.801 3.757 1.00 0.29 H new ATOM 0 HB3 ARG A 46 -5.888 -13.483 2.157 1.00 0.29 H new ATOM 0 HG2 ARG A 46 -4.117 -14.844 3.985 1.00 0.31 H new ATOM 0 HG3 ARG A 46 -5.725 -14.807 4.679 1.00 0.31 H new ATOM 0 HD2 ARG A 46 -6.029 -16.660 3.380 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -6.393 -15.472 2.144 1.00 0.35 H new ATOM 0 HE ARG A 46 -4.042 -15.694 1.345 1.00 0.36 H new ATOM 0 HH11 ARG A 46 -5.373 -18.185 3.476 1.00 0.63 H new ATOM 0 HH12 ARG A 46 -4.240 -19.424 2.926 1.00 0.63 H new ATOM 0 HH21 ARG A 46 -2.578 -17.311 0.659 1.00 0.39 H new ATOM 0 HH22 ARG A 46 -2.676 -18.934 1.350 1.00 0.39 H new ATOM 702 N LEU A 47 -4.027 -10.460 4.162 1.00 0.25 N ATOM 703 CA LEU A 47 -3.835 -9.600 5.316 1.00 0.27 C ATOM 704 C LEU A 47 -5.195 -9.188 5.805 1.00 0.26 C ATOM 705 O LEU A 47 -6.041 -8.768 5.010 1.00 0.25 O ATOM 706 CB LEU A 47 -3.018 -8.320 5.012 1.00 0.28 C ATOM 707 CG LEU A 47 -2.653 -8.051 3.554 1.00 0.27 C ATOM 708 CD1 LEU A 47 -2.010 -6.679 3.415 1.00 0.31 C ATOM 709 CD2 LEU A 47 -1.709 -9.117 3.010 1.00 0.29 C ATOM 0 H LEU A 47 -4.328 -9.970 3.320 1.00 0.25 H new ATOM 0 HA LEU A 47 -3.268 -10.165 6.056 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -3.583 -7.464 5.382 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -2.094 -8.365 5.588 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.574 -8.081 2.973 1.00 0.27 H new ATOM 0 HD11 LEU A 47 -1.755 -6.501 2.370 1.00 0.31 H new ATOM 0 HD12 LEU A 47 -2.709 -5.914 3.754 1.00 0.31 H new ATOM 0 HD13 LEU A 47 -1.105 -6.638 4.021 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -1.470 -8.895 1.970 1.00 0.29 H new ATOM 0 HD22 LEU A 47 -0.792 -9.126 3.599 1.00 0.29 H new ATOM 0 HD23 LEU A 47 -2.189 -10.094 3.071 1.00 0.29 H new ATOM 721 N ARG A 48 -5.443 -9.317 7.091 1.00 0.29 N ATOM 722 CA ARG A 48 -6.707 -8.910 7.633 1.00 0.29 C ATOM 723 C ARG A 48 -6.613 -7.417 7.851 1.00 0.29 C ATOM 724 O ARG A 48 -5.655 -6.950 8.472 1.00 0.31 O ATOM 725 CB ARG A 48 -6.989 -9.631 8.956 1.00 0.33 C ATOM 726 CG ARG A 48 -7.249 -11.125 8.810 1.00 0.35 C ATOM 727 CD ARG A 48 -5.965 -11.928 8.591 1.00 0.38 C ATOM 728 NE ARG A 48 -4.966 -11.706 9.659 1.00 0.47 N ATOM 729 CZ ARG A 48 -5.074 -12.181 10.901 1.00 0.59 C ATOM 730 NH1 ARG A 48 -6.102 -12.943 11.250 1.00 0.63 N ATOM 731 NH2 ARG A 48 -4.140 -11.895 11.795 1.00 0.73 N ATOM 0 H ARG A 48 -4.786 -9.699 7.771 1.00 0.29 H new ATOM 0 HA ARG A 48 -7.524 -9.161 6.956 1.00 0.29 H new ATOM 0 HB2 ARG A 48 -6.141 -9.485 9.624 1.00 0.33 H new ATOM 0 HB3 ARG A 48 -7.853 -9.168 9.432 1.00 0.33 H new ATOM 0 HG2 ARG A 48 -7.754 -11.491 9.704 1.00 0.35 H new ATOM 0 HG3 ARG A 48 -7.925 -11.292 7.971 1.00 0.35 H new ATOM 0 HD2 ARG A 48 -6.209 -12.989 8.541 1.00 0.38 H new ATOM 0 HD3 ARG A 48 -5.530 -11.656 7.629 1.00 0.38 H new ATOM 0 HE ARG A 48 -4.140 -11.153 9.431 1.00 0.47 H new ATOM 0 HH11 ARG A 48 -6.822 -13.172 10.565 1.00 0.63 H new ATOM 0 HH12 ARG A 48 -6.172 -13.300 12.203 1.00 0.63 H new ATOM 0 HH21 ARG A 48 -3.343 -11.314 11.533 1.00 0.73 H new ATOM 0 HH22 ARG A 48 -4.217 -12.255 12.746 1.00 0.73 H new ATOM 745 N GLU A 49 -7.557 -6.662 7.329 1.00 0.28 N ATOM 746 CA GLU A 49 -7.485 -5.228 7.483 1.00 0.31 C ATOM 747 C GLU A 49 -7.952 -4.844 8.883 1.00 0.35 C ATOM 748 O GLU A 49 -9.039 -5.236 9.306 1.00 0.37 O ATOM 749 CB GLU A 49 -8.342 -4.509 6.447 1.00 0.32 C ATOM 750 CG GLU A 49 -8.082 -3.009 6.397 1.00 0.40 C ATOM 751 CD GLU A 49 -9.328 -2.199 6.105 1.00 0.44 C ATOM 752 OE1 GLU A 49 -10.337 -2.380 6.808 1.00 1.05 O ATOM 753 OE2 GLU A 49 -9.302 -1.372 5.167 1.00 0.89 O ATOM 0 H GLU A 49 -8.363 -7.007 6.808 1.00 0.28 H new ATOM 0 HA GLU A 49 -6.449 -4.924 7.334 1.00 0.31 H new ATOM 0 HB2 GLU A 49 -8.150 -4.938 5.464 1.00 0.32 H new ATOM 0 HB3 GLU A 49 -9.395 -4.682 6.671 1.00 0.32 H new ATOM 0 HG2 GLU A 49 -7.662 -2.687 7.350 1.00 0.40 H new ATOM 0 HG3 GLU A 49 -7.334 -2.801 5.632 1.00 0.40 H new ATOM 760 N ARG A 50 -7.152 -4.078 9.592 1.00 0.37 N ATOM 761 CA ARG A 50 -7.511 -3.662 10.938 1.00 0.42 C ATOM 762 C ARG A 50 -8.218 -2.311 10.883 1.00 0.46 C ATOM 763 O ARG A 50 -7.673 -1.290 11.300 1.00 0.51 O ATOM 764 CB ARG A 50 -6.270 -3.583 11.828 1.00 0.47 C ATOM 765 CG ARG A 50 -6.453 -4.218 13.196 1.00 0.47 C ATOM 766 CD ARG A 50 -5.193 -4.088 14.042 1.00 0.53 C ATOM 767 NE ARG A 50 -5.327 -4.750 15.336 1.00 0.95 N ATOM 768 CZ ARG A 50 -4.298 -5.131 16.094 1.00 1.24 C ATOM 769 NH1 ARG A 50 -3.047 -4.953 15.676 1.00 1.52 N ATOM 770 NH2 ARG A 50 -4.520 -5.689 17.275 1.00 1.71 N ATOM 0 H ARG A 50 -6.251 -3.730 9.264 1.00 0.37 H new ATOM 0 HA ARG A 50 -8.186 -4.401 11.369 1.00 0.42 H new ATOM 0 HB2 ARG A 50 -5.439 -4.071 11.320 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -5.994 -2.537 11.958 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -7.289 -3.744 13.710 1.00 0.47 H new ATOM 0 HG3 ARG A 50 -6.707 -5.271 13.079 1.00 0.47 H new ATOM 0 HD2 ARG A 50 -4.349 -4.517 13.502 1.00 0.53 H new ATOM 0 HD3 ARG A 50 -4.969 -3.033 14.197 1.00 0.53 H new ATOM 0 HE ARG A 50 -6.269 -4.933 15.683 1.00 0.95 H new ATOM 0 HH11 ARG A 50 -2.869 -4.522 14.769 1.00 1.52 H new ATOM 0 HH12 ARG A 50 -2.266 -5.248 16.263 1.00 1.52 H new ATOM 0 HH21 ARG A 50 -5.476 -5.826 17.603 1.00 1.71 H new ATOM 0 HH22 ARG A 50 -3.735 -5.981 17.857 1.00 1.71 H new ATOM 784 N GLY A 51 -9.427 -2.321 10.336 1.00 0.52 N ATOM 785 CA GLY A 51 -10.210 -1.109 10.218 1.00 0.60 C ATOM 786 C GLY A 51 -11.669 -1.412 9.948 1.00 0.56 C ATOM 787 O GLY A 51 -12.557 -0.933 10.653 1.00 0.65 O ATOM 0 H GLY A 51 -9.882 -3.157 9.969 1.00 0.52 H new ATOM 0 HA2 GLY A 51 -10.122 -0.528 11.136 1.00 0.60 H new ATOM 0 HA3 GLY A 51 -9.810 -0.494 9.412 1.00 0.60 H new ATOM 791 N THR A 52 -11.910 -2.219 8.933 1.00 0.49 N ATOM 792 CA THR A 52 -13.262 -2.596 8.561 1.00 0.47 C ATOM 793 C THR A 52 -13.329 -4.086 8.230 1.00 0.45 C ATOM 794 O THR A 52 -12.316 -4.696 7.898 1.00 0.68 O ATOM 795 CB THR A 52 -13.746 -1.768 7.339 1.00 0.52 C ATOM 796 OG1 THR A 52 -13.232 -0.425 7.423 1.00 0.62 O ATOM 797 CG2 THR A 52 -15.287 -1.717 7.251 1.00 0.59 C ATOM 0 H THR A 52 -11.183 -2.629 8.347 1.00 0.49 H new ATOM 0 HA THR A 52 -13.915 -2.389 9.409 1.00 0.47 H new ATOM 0 HB THR A 52 -13.371 -2.260 6.442 1.00 0.52 H new ATOM 0 HG1 THR A 52 -13.539 0.092 6.649 1.00 0.62 H new ATOM 0 HG21 THR A 52 -15.583 -1.128 6.383 1.00 0.59 H new ATOM 0 HG22 THR A 52 -15.680 -2.729 7.154 1.00 0.59 H new ATOM 0 HG23 THR A 52 -15.688 -1.257 8.154 1.00 0.59 H new ATOM 805 N LYS A 53 -14.521 -4.662 8.381 1.00 0.38 N ATOM 806 CA LYS A 53 -14.764 -6.081 8.097 1.00 0.37 C ATOM 807 C LYS A 53 -14.545 -6.415 6.616 1.00 0.35 C ATOM 808 O LYS A 53 -15.492 -6.685 5.881 1.00 0.45 O ATOM 809 CB LYS A 53 -16.194 -6.449 8.497 1.00 0.44 C ATOM 810 CG LYS A 53 -16.599 -5.927 9.866 1.00 0.54 C ATOM 811 CD LYS A 53 -18.002 -5.338 9.852 1.00 0.55 C ATOM 812 CE LYS A 53 -18.028 -3.966 9.195 1.00 0.62 C ATOM 813 NZ LYS A 53 -19.404 -3.411 9.118 1.00 0.74 N ATOM 0 H LYS A 53 -15.348 -4.160 8.704 1.00 0.38 H new ATOM 0 HA LYS A 53 -14.049 -6.662 8.680 1.00 0.37 H new ATOM 0 HB2 LYS A 53 -16.883 -6.056 7.750 1.00 0.44 H new ATOM 0 HB3 LYS A 53 -16.297 -7.534 8.487 1.00 0.44 H new ATOM 0 HG2 LYS A 53 -16.552 -6.738 10.593 1.00 0.54 H new ATOM 0 HG3 LYS A 53 -15.888 -5.167 10.190 1.00 0.54 H new ATOM 0 HD2 LYS A 53 -18.674 -6.010 9.318 1.00 0.55 H new ATOM 0 HD3 LYS A 53 -18.374 -5.260 10.873 1.00 0.55 H new ATOM 0 HE2 LYS A 53 -17.393 -3.282 9.758 1.00 0.62 H new ATOM 0 HE3 LYS A 53 -17.609 -4.037 8.191 1.00 0.62 H new ATOM 0 HZ1 LYS A 53 -19.376 -2.476 8.664 1.00 0.74 H new ATOM 0 HZ2 LYS A 53 -20.005 -4.050 8.559 1.00 0.74 H new ATOM 0 HZ3 LYS A 53 -19.795 -3.319 10.077 1.00 0.74 H new ATOM 827 N LYS A 54 -13.293 -6.376 6.183 1.00 0.30 N ATOM 828 CA LYS A 54 -12.955 -6.673 4.798 1.00 0.29 C ATOM 829 C LYS A 54 -11.670 -7.477 4.703 1.00 0.27 C ATOM 830 O LYS A 54 -10.660 -7.158 5.339 1.00 0.30 O ATOM 831 CB LYS A 54 -12.818 -5.384 3.989 1.00 0.32 C ATOM 832 CG LYS A 54 -13.843 -4.320 4.356 1.00 0.61 C ATOM 833 CD LYS A 54 -13.487 -2.969 3.768 1.00 0.58 C ATOM 834 CE LYS A 54 -12.007 -2.671 3.928 1.00 0.49 C ATOM 835 NZ LYS A 54 -11.727 -1.213 3.922 1.00 0.82 N ATOM 0 H LYS A 54 -12.494 -6.141 6.771 1.00 0.30 H new ATOM 0 HA LYS A 54 -13.767 -7.271 4.384 1.00 0.29 H new ATOM 0 HB2 LYS A 54 -11.817 -4.978 4.136 1.00 0.32 H new ATOM 0 HB3 LYS A 54 -12.914 -5.619 2.929 1.00 0.32 H new ATOM 0 HG2 LYS A 54 -14.827 -4.624 3.998 1.00 0.61 H new ATOM 0 HG3 LYS A 54 -13.909 -4.238 5.441 1.00 0.61 H new ATOM 0 HD2 LYS A 54 -13.752 -2.949 2.711 1.00 0.58 H new ATOM 0 HD3 LYS A 54 -14.072 -2.191 4.258 1.00 0.58 H new ATOM 0 HE2 LYS A 54 -11.649 -3.105 4.862 1.00 0.49 H new ATOM 0 HE3 LYS A 54 -11.452 -3.150 3.121 1.00 0.49 H new ATOM 0 HZ1 LYS A 54 -10.793 -1.037 4.345 1.00 0.82 H new ATOM 0 HZ2 LYS A 54 -11.736 -0.862 2.943 1.00 0.82 H new ATOM 0 HZ3 LYS A 54 -12.456 -0.717 4.474 1.00 0.82 H new ATOM 849 N VAL A 55 -11.700 -8.517 3.880 1.00 0.25 N ATOM 850 CA VAL A 55 -10.544 -9.376 3.701 1.00 0.25 C ATOM 851 C VAL A 55 -9.689 -8.864 2.550 1.00 0.24 C ATOM 852 O VAL A 55 -10.211 -8.403 1.541 1.00 0.26 O ATOM 853 CB VAL A 55 -10.951 -10.842 3.434 1.00 0.28 C ATOM 854 CG1 VAL A 55 -9.739 -11.762 3.492 1.00 0.31 C ATOM 855 CG2 VAL A 55 -12.012 -11.292 4.429 1.00 0.31 C ATOM 0 H VAL A 55 -12.514 -8.784 3.327 1.00 0.25 H new ATOM 0 HA VAL A 55 -9.971 -9.352 4.628 1.00 0.25 H new ATOM 0 HB VAL A 55 -11.372 -10.899 2.430 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -10.052 -12.788 3.301 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -9.014 -11.457 2.737 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -9.282 -11.700 4.480 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -12.286 -12.327 4.225 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -11.617 -11.214 5.442 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -12.893 -10.658 4.333 1.00 0.31 H new ATOM 865 N HIS A 56 -8.381 -8.930 2.717 1.00 0.23 N ATOM 866 CA HIS A 56 -7.457 -8.462 1.695 1.00 0.24 C ATOM 867 C HIS A 56 -6.606 -9.613 1.204 1.00 0.24 C ATOM 868 O HIS A 56 -5.761 -10.119 1.940 1.00 0.25 O ATOM 869 CB HIS A 56 -6.564 -7.349 2.254 1.00 0.25 C ATOM 870 CG HIS A 56 -7.280 -6.056 2.495 1.00 0.25 C ATOM 871 ND1 HIS A 56 -8.472 -5.973 3.186 1.00 0.28 N ATOM 872 CD2 HIS A 56 -6.967 -4.789 2.132 1.00 0.27 C ATOM 873 CE1 HIS A 56 -8.866 -4.719 3.238 1.00 0.30 C ATOM 874 NE2 HIS A 56 -7.972 -3.973 2.608 1.00 0.30 N ATOM 0 H HIS A 56 -7.931 -9.304 3.553 1.00 0.23 H new ATOM 0 HA HIS A 56 -8.031 -8.061 0.859 1.00 0.24 H new ATOM 0 HB2 HIS A 56 -6.122 -7.688 3.191 1.00 0.25 H new ATOM 0 HB3 HIS A 56 -5.742 -7.173 1.560 1.00 0.25 H new ATOM 0 HD2 HIS A 56 -6.096 -4.477 1.575 1.00 0.27 H new ATOM 0 HE1 HIS A 56 -9.766 -4.359 3.714 1.00 0.30 H new ATOM 0 HE2 HIS A 56 -8.019 -2.961 2.493 1.00 0.30 H new ATOM 883 N VAL A 57 -6.820 -10.027 -0.034 1.00 0.23 N ATOM 884 CA VAL A 57 -6.063 -11.120 -0.608 1.00 0.23 C ATOM 885 C VAL A 57 -5.616 -10.713 -2.008 1.00 0.24 C ATOM 886 O VAL A 57 -6.404 -10.184 -2.814 1.00 0.24 O ATOM 887 CB VAL A 57 -6.873 -12.449 -0.636 1.00 0.24 C ATOM 888 CG1 VAL A 57 -8.032 -12.389 -1.620 1.00 0.32 C ATOM 889 CG2 VAL A 57 -5.968 -13.635 -0.947 1.00 0.27 C ATOM 0 H VAL A 57 -7.515 -9.619 -0.660 1.00 0.23 H new ATOM 0 HA VAL A 57 -5.193 -11.315 0.018 1.00 0.23 H new ATOM 0 HB VAL A 57 -7.294 -12.586 0.360 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -8.570 -13.337 -1.607 1.00 0.32 H new ATOM 0 HG12 VAL A 57 -8.709 -11.584 -1.336 1.00 0.32 H new ATOM 0 HG13 VAL A 57 -7.648 -12.203 -2.623 1.00 0.32 H new ATOM 0 HG21 VAL A 57 -6.560 -14.550 -0.960 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -5.501 -13.491 -1.921 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -5.195 -13.713 -0.182 1.00 0.27 H new ATOM 899 N PHE A 58 -4.351 -10.902 -2.292 1.00 0.24 N ATOM 900 CA PHE A 58 -3.824 -10.518 -3.580 1.00 0.25 C ATOM 901 C PHE A 58 -2.605 -11.348 -3.914 1.00 0.25 C ATOM 902 O PHE A 58 -1.849 -11.744 -3.021 1.00 0.26 O ATOM 903 CB PHE A 58 -3.485 -9.009 -3.624 1.00 0.26 C ATOM 904 CG PHE A 58 -3.377 -8.338 -2.260 1.00 0.25 C ATOM 905 CD1 PHE A 58 -2.236 -8.457 -1.456 1.00 0.25 C ATOM 906 CD2 PHE A 58 -4.447 -7.594 -1.776 1.00 0.27 C ATOM 907 CE1 PHE A 58 -2.187 -7.852 -0.212 1.00 0.26 C ATOM 908 CE2 PHE A 58 -4.390 -6.986 -0.534 1.00 0.28 C ATOM 909 CZ PHE A 58 -3.262 -7.118 0.250 1.00 0.27 C ATOM 0 H PHE A 58 -3.671 -11.316 -1.655 1.00 0.24 H new ATOM 0 HA PHE A 58 -4.593 -10.705 -4.329 1.00 0.25 H new ATOM 0 HB2 PHE A 58 -2.541 -8.878 -4.153 1.00 0.26 H new ATOM 0 HB3 PHE A 58 -4.250 -8.496 -4.206 1.00 0.26 H new ATOM 0 HD1 PHE A 58 -1.388 -9.025 -1.809 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -5.337 -7.489 -2.379 1.00 0.27 H new ATOM 0 HE1 PHE A 58 -1.304 -7.954 0.401 1.00 0.26 H new ATOM 0 HE2 PHE A 58 -5.230 -6.407 -0.178 1.00 0.28 H new ATOM 0 HZ PHE A 58 -3.220 -6.649 1.222 1.00 0.27 H new ATOM 919 N LYS A 59 -2.458 -11.662 -5.189 1.00 0.25 N ATOM 920 CA LYS A 59 -1.317 -12.409 -5.663 1.00 0.26 C ATOM 921 C LYS A 59 -0.182 -11.422 -5.808 1.00 0.25 C ATOM 922 O LYS A 59 -0.421 -10.264 -6.146 1.00 0.26 O ATOM 923 CB LYS A 59 -1.647 -13.074 -7.005 1.00 0.28 C ATOM 924 CG LYS A 59 -0.535 -13.950 -7.564 1.00 0.32 C ATOM 925 CD LYS A 59 -0.832 -14.402 -8.987 1.00 0.40 C ATOM 926 CE LYS A 59 -1.980 -15.403 -9.039 1.00 0.49 C ATOM 927 NZ LYS A 59 -3.231 -14.799 -9.572 1.00 0.61 N ATOM 0 H LYS A 59 -3.124 -11.406 -5.918 1.00 0.25 H new ATOM 0 HA LYS A 59 -1.043 -13.204 -4.970 1.00 0.26 H new ATOM 0 HB2 LYS A 59 -2.545 -13.680 -6.885 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -1.882 -12.298 -7.733 1.00 0.28 H new ATOM 0 HG2 LYS A 59 0.405 -13.399 -7.547 1.00 0.32 H new ATOM 0 HG3 LYS A 59 -0.404 -14.823 -6.925 1.00 0.32 H new ATOM 0 HD2 LYS A 59 -1.079 -13.535 -9.599 1.00 0.40 H new ATOM 0 HD3 LYS A 59 0.062 -14.852 -9.419 1.00 0.40 H new ATOM 0 HE2 LYS A 59 -1.693 -16.250 -9.663 1.00 0.49 H new ATOM 0 HE3 LYS A 59 -2.165 -15.793 -8.038 1.00 0.49 H new ATOM 0 HZ1 LYS A 59 -3.974 -15.525 -9.620 1.00 0.61 H new ATOM 0 HZ2 LYS A 59 -3.540 -14.029 -8.944 1.00 0.61 H new ATOM 0 HZ3 LYS A 59 -3.055 -14.420 -10.524 1.00 0.61 H new ATOM 941 N ALA A 60 1.039 -11.827 -5.541 1.00 0.26 N ATOM 942 CA ALA A 60 2.146 -10.912 -5.648 1.00 0.26 C ATOM 943 C ALA A 60 3.414 -11.707 -5.851 1.00 0.26 C ATOM 944 O ALA A 60 3.512 -12.849 -5.402 1.00 0.29 O ATOM 945 CB ALA A 60 2.251 -10.047 -4.384 1.00 0.26 C ATOM 0 H ALA A 60 1.286 -12.773 -5.252 1.00 0.26 H new ATOM 0 HA ALA A 60 1.991 -10.246 -6.497 1.00 0.26 H new ATOM 0 HB1 ALA A 60 3.093 -9.361 -4.481 1.00 0.26 H new ATOM 0 HB2 ALA A 60 1.331 -9.477 -4.256 1.00 0.26 H new ATOM 0 HB3 ALA A 60 2.404 -10.688 -3.516 1.00 0.26 H new ATOM 951 N TRP A 61 4.367 -11.119 -6.540 1.00 0.24 N ATOM 952 CA TRP A 61 5.627 -11.792 -6.786 1.00 0.25 C ATOM 953 C TRP A 61 6.769 -10.792 -6.796 1.00 0.25 C ATOM 954 O TRP A 61 6.538 -9.584 -6.722 1.00 0.26 O ATOM 955 CB TRP A 61 5.562 -12.597 -8.092 1.00 0.27 C ATOM 956 CG TRP A 61 5.767 -11.789 -9.339 1.00 0.29 C ATOM 957 CD1 TRP A 61 6.952 -11.595 -9.980 1.00 0.33 C ATOM 958 CD2 TRP A 61 4.772 -11.088 -10.104 1.00 0.32 C ATOM 959 NE1 TRP A 61 6.770 -10.822 -11.096 1.00 0.37 N ATOM 960 CE2 TRP A 61 5.437 -10.494 -11.199 1.00 0.36 C ATOM 961 CE3 TRP A 61 3.386 -10.900 -9.976 1.00 0.34 C ATOM 962 CZ2 TRP A 61 4.759 -9.732 -12.157 1.00 0.41 C ATOM 963 CZ3 TRP A 61 2.725 -10.146 -10.925 1.00 0.39 C ATOM 964 CH2 TRP A 61 3.411 -9.573 -12.003 1.00 0.42 C ATOM 0 H TRP A 61 4.297 -10.183 -6.938 1.00 0.24 H new ATOM 0 HA TRP A 61 5.815 -12.497 -5.976 1.00 0.25 H new ATOM 0 HB2 TRP A 61 6.317 -13.382 -8.056 1.00 0.27 H new ATOM 0 HB3 TRP A 61 4.592 -13.090 -8.151 1.00 0.27 H new ATOM 0 HD1 TRP A 61 7.901 -11.994 -9.655 1.00 0.33 H new ATOM 0 HE1 TRP A 61 7.503 -10.536 -11.745 1.00 0.37 H new ATOM 0 HE3 TRP A 61 2.846 -11.338 -9.149 1.00 0.34 H new ATOM 0 HZ2 TRP A 61 5.283 -9.285 -12.989 1.00 0.41 H new ATOM 0 HZ3 TRP A 61 1.659 -9.995 -10.834 1.00 0.39 H new ATOM 0 HH2 TRP A 61 2.862 -8.992 -12.729 1.00 0.42 H new ATOM 975 N LYS A 62 7.995 -11.291 -6.877 1.00 0.27 N ATOM 976 CA LYS A 62 9.162 -10.429 -6.859 1.00 0.29 C ATOM 977 C LYS A 62 10.024 -10.575 -8.110 1.00 0.30 C ATOM 978 O LYS A 62 10.198 -11.668 -8.644 1.00 0.31 O ATOM 979 CB LYS A 62 10.007 -10.753 -5.632 1.00 0.33 C ATOM 980 CG LYS A 62 9.655 -9.932 -4.402 1.00 0.41 C ATOM 981 CD LYS A 62 10.357 -10.467 -3.166 1.00 0.43 C ATOM 982 CE LYS A 62 10.360 -9.446 -2.042 1.00 0.56 C ATOM 983 NZ LYS A 62 11.380 -8.385 -2.256 1.00 0.57 N ATOM 0 H LYS A 62 8.204 -12.286 -6.956 1.00 0.27 H new ATOM 0 HA LYS A 62 8.803 -9.400 -6.828 1.00 0.29 H new ATOM 0 HB2 LYS A 62 9.893 -11.811 -5.395 1.00 0.33 H new ATOM 0 HB3 LYS A 62 11.057 -10.592 -5.875 1.00 0.33 H new ATOM 0 HG2 LYS A 62 9.938 -8.892 -4.563 1.00 0.41 H new ATOM 0 HG3 LYS A 62 8.576 -9.949 -4.247 1.00 0.41 H new ATOM 0 HD2 LYS A 62 9.861 -11.378 -2.830 1.00 0.43 H new ATOM 0 HD3 LYS A 62 11.383 -10.736 -3.417 1.00 0.43 H new ATOM 0 HE2 LYS A 62 9.373 -8.990 -1.964 1.00 0.56 H new ATOM 0 HE3 LYS A 62 10.554 -9.950 -1.095 1.00 0.56 H new ATOM 0 HZ1 LYS A 62 11.529 -7.863 -1.369 1.00 0.57 H new ATOM 0 HZ2 LYS A 62 12.276 -8.820 -2.556 1.00 0.57 H new ATOM 0 HZ3 LYS A 62 11.050 -7.729 -2.993 1.00 0.57 H new ATOM 997 N GLU A 63 10.562 -9.455 -8.560 1.00 0.31 N ATOM 998 CA GLU A 63 11.442 -9.422 -9.718 1.00 0.34 C ATOM 999 C GLU A 63 12.812 -8.907 -9.288 1.00 0.35 C ATOM 1000 O GLU A 63 12.933 -7.778 -8.813 1.00 0.35 O ATOM 1001 CB GLU A 63 10.870 -8.520 -10.810 1.00 0.38 C ATOM 1002 CG GLU A 63 9.593 -9.052 -11.435 1.00 0.46 C ATOM 1003 CD GLU A 63 9.852 -10.018 -12.572 1.00 0.63 C ATOM 1004 OE1 GLU A 63 10.968 -10.001 -13.138 1.00 0.90 O ATOM 1005 OE2 GLU A 63 8.935 -10.791 -12.924 1.00 0.98 O ATOM 0 H GLU A 63 10.402 -8.542 -8.134 1.00 0.31 H new ATOM 0 HA GLU A 63 11.532 -10.430 -10.122 1.00 0.34 H new ATOM 0 HB2 GLU A 63 10.674 -7.534 -10.389 1.00 0.38 H new ATOM 0 HB3 GLU A 63 11.619 -8.390 -11.591 1.00 0.38 H new ATOM 0 HG2 GLU A 63 9.000 -9.551 -10.669 1.00 0.46 H new ATOM 0 HG3 GLU A 63 8.999 -8.216 -11.804 1.00 0.46 H new ATOM 1012 N ILE A 64 13.834 -9.738 -9.429 1.00 0.36 N ATOM 1013 CA ILE A 64 15.187 -9.352 -9.047 1.00 0.39 C ATOM 1014 C ILE A 64 15.763 -8.371 -10.063 1.00 0.38 C ATOM 1015 O ILE A 64 16.384 -8.779 -11.046 1.00 0.39 O ATOM 1016 CB ILE A 64 16.117 -10.579 -8.932 1.00 0.44 C ATOM 1017 CG1 ILE A 64 15.452 -11.671 -8.093 1.00 0.48 C ATOM 1018 CG2 ILE A 64 17.457 -10.183 -8.320 1.00 0.50 C ATOM 1019 CD1 ILE A 64 16.191 -12.990 -8.123 1.00 0.60 C ATOM 0 H ILE A 64 13.754 -10.683 -9.804 1.00 0.36 H new ATOM 0 HA ILE A 64 15.127 -8.875 -8.069 1.00 0.39 H new ATOM 0 HB ILE A 64 16.299 -10.968 -9.934 1.00 0.44 H new ATOM 0 HG12 ILE A 64 15.377 -11.329 -7.061 1.00 0.48 H new ATOM 0 HG13 ILE A 64 14.435 -11.825 -8.453 1.00 0.48 H new ATOM 0 HG21 ILE A 64 18.098 -11.062 -8.248 1.00 0.50 H new ATOM 0 HG22 ILE A 64 17.938 -9.434 -8.950 1.00 0.50 H new ATOM 0 HG23 ILE A 64 17.294 -9.770 -7.325 1.00 0.50 H new ATOM 0 HD11 ILE A 64 15.663 -13.717 -7.506 1.00 0.60 H new ATOM 0 HD12 ILE A 64 16.244 -13.354 -9.149 1.00 0.60 H new ATOM 0 HD13 ILE A 64 17.200 -12.851 -7.735 1.00 0.60 H new ATOM 1031 N VAL A 65 15.570 -7.079 -9.807 1.00 0.38 N ATOM 1032 CA VAL A 65 16.036 -6.029 -10.707 1.00 0.40 C ATOM 1033 C VAL A 65 16.260 -4.730 -9.939 1.00 0.42 C ATOM 1034 O VAL A 65 15.600 -4.501 -8.919 1.00 0.42 O ATOM 1035 CB VAL A 65 15.039 -5.742 -11.861 1.00 0.41 C ATOM 1036 CG1 VAL A 65 15.110 -6.837 -12.944 1.00 0.47 C ATOM 1037 CG2 VAL A 65 13.617 -5.627 -11.319 1.00 0.43 C ATOM 0 H VAL A 65 15.090 -6.733 -8.976 1.00 0.38 H new ATOM 0 HA VAL A 65 16.969 -6.392 -11.138 1.00 0.40 H new ATOM 0 HB VAL A 65 15.320 -4.794 -12.319 1.00 0.41 H new ATOM 0 HG11 VAL A 65 14.400 -6.609 -13.739 1.00 0.47 H new ATOM 0 HG12 VAL A 65 16.118 -6.875 -13.357 1.00 0.47 H new ATOM 0 HG13 VAL A 65 14.862 -7.802 -12.502 1.00 0.47 H new ATOM 0 HG21 VAL A 65 12.930 -5.426 -12.141 1.00 0.43 H new ATOM 0 HG22 VAL A 65 13.337 -6.561 -10.832 1.00 0.43 H new ATOM 0 HG23 VAL A 65 13.568 -4.812 -10.597 1.00 0.43 H new ATOM 1047 N ASP A 66 17.243 -3.951 -10.417 1.00 0.44 N ATOM 1048 CA ASP A 66 17.622 -2.624 -9.883 1.00 0.47 C ATOM 1049 C ASP A 66 19.141 -2.508 -9.875 1.00 0.49 C ATOM 1050 O ASP A 66 19.832 -3.414 -10.344 1.00 0.50 O ATOM 1051 CB ASP A 66 17.096 -2.346 -8.473 1.00 0.49 C ATOM 1052 CG ASP A 66 16.629 -0.915 -8.295 1.00 0.59 C ATOM 1053 OD1 ASP A 66 17.467 0.006 -8.422 1.00 0.91 O ATOM 1054 OD2 ASP A 66 15.425 -0.704 -8.024 1.00 0.89 O ATOM 0 H ASP A 66 17.817 -4.232 -11.212 1.00 0.44 H new ATOM 0 HA ASP A 66 17.162 -1.884 -10.538 1.00 0.47 H new ATOM 0 HB2 ASP A 66 16.269 -3.023 -8.258 1.00 0.49 H new ATOM 0 HB3 ASP A 66 17.881 -2.561 -7.748 1.00 0.49 H new ATOM 1059 N ALA A 67 19.657 -1.417 -9.317 1.00 0.51 N ATOM 1060 CA ALA A 67 21.095 -1.185 -9.263 1.00 0.54 C ATOM 1061 C ALA A 67 21.402 0.038 -8.403 1.00 0.53 C ATOM 1062 O ALA A 67 20.504 0.844 -8.139 1.00 0.52 O ATOM 1063 CB ALA A 67 21.651 -1.002 -10.674 1.00 0.60 C ATOM 0 H ALA A 67 19.097 -0.677 -8.894 1.00 0.51 H new ATOM 0 HA ALA A 67 21.575 -2.053 -8.811 1.00 0.54 H new ATOM 0 HB1 ALA A 67 22.726 -0.829 -10.622 1.00 0.60 H new ATOM 0 HB2 ALA A 67 21.456 -1.899 -11.261 1.00 0.60 H new ATOM 0 HB3 ALA A 67 21.169 -0.147 -11.147 1.00 0.60 H new ATOM 1069 N PRO A 68 22.658 0.178 -7.914 1.00 0.56 N ATOM 1070 CA PRO A 68 23.059 1.321 -7.085 1.00 0.56 C ATOM 1071 C PRO A 68 22.811 2.650 -7.805 1.00 0.56 C ATOM 1072 O PRO A 68 23.641 3.112 -8.591 1.00 0.59 O ATOM 1073 CB PRO A 68 24.562 1.105 -6.852 1.00 0.60 C ATOM 1074 CG PRO A 68 24.983 0.084 -7.851 1.00 0.82 C ATOM 1075 CD PRO A 68 23.774 -0.762 -8.120 1.00 0.60 C ATOM 0 HA PRO A 68 22.489 1.375 -6.158 1.00 0.56 H new ATOM 0 HB2 PRO A 68 25.116 2.034 -6.985 1.00 0.60 H new ATOM 0 HB3 PRO A 68 24.755 0.761 -5.836 1.00 0.60 H new ATOM 0 HG2 PRO A 68 25.338 0.558 -8.766 1.00 0.82 H new ATOM 0 HG3 PRO A 68 25.804 -0.521 -7.467 1.00 0.82 H new ATOM 0 HD2 PRO A 68 23.781 -1.165 -9.133 1.00 0.60 H new ATOM 0 HD3 PRO A 68 23.717 -1.612 -7.440 1.00 0.60 H new ATOM 1083 N LYS A 69 21.653 3.239 -7.554 1.00 0.55 N ATOM 1084 CA LYS A 69 21.278 4.492 -8.191 1.00 0.58 C ATOM 1085 C LYS A 69 21.415 5.668 -7.228 1.00 0.56 C ATOM 1086 O LYS A 69 22.488 5.913 -6.681 1.00 0.61 O ATOM 1087 CB LYS A 69 19.842 4.409 -8.720 1.00 0.61 C ATOM 1088 CG LYS A 69 19.639 3.388 -9.831 1.00 0.67 C ATOM 1089 CD LYS A 69 18.320 3.623 -10.554 1.00 0.79 C ATOM 1090 CE LYS A 69 17.121 3.218 -9.705 1.00 1.27 C ATOM 1091 NZ LYS A 69 16.608 1.870 -10.065 1.00 1.12 N ATOM 0 H LYS A 69 20.954 2.868 -6.911 1.00 0.55 H new ATOM 0 HA LYS A 69 21.958 4.659 -9.026 1.00 0.58 H new ATOM 0 HB2 LYS A 69 19.176 4.164 -7.892 1.00 0.61 H new ATOM 0 HB3 LYS A 69 19.546 5.391 -9.087 1.00 0.61 H new ATOM 0 HG2 LYS A 69 20.463 3.450 -10.542 1.00 0.67 H new ATOM 0 HG3 LYS A 69 19.654 2.382 -9.412 1.00 0.67 H new ATOM 0 HD2 LYS A 69 18.236 4.677 -10.820 1.00 0.79 H new ATOM 0 HD3 LYS A 69 18.312 3.057 -11.486 1.00 0.79 H new ATOM 0 HE2 LYS A 69 17.403 3.228 -8.652 1.00 1.27 H new ATOM 0 HE3 LYS A 69 16.325 3.953 -9.829 1.00 1.27 H new ATOM 0 HZ1 LYS A 69 15.635 1.764 -9.714 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 16.617 1.760 -11.099 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 17.213 1.142 -9.634 1.00 1.12 H new ATOM 1105 N ASN A 70 20.311 6.371 -7.004 1.00 0.57 N ATOM 1106 CA ASN A 70 20.295 7.534 -6.125 1.00 0.57 C ATOM 1107 C ASN A 70 19.474 7.243 -4.881 1.00 0.51 C ATOM 1108 O ASN A 70 18.944 8.151 -4.245 1.00 0.52 O ATOM 1109 CB ASN A 70 19.705 8.738 -6.865 1.00 0.61 C ATOM 1110 CG ASN A 70 18.328 8.450 -7.446 1.00 0.59 C ATOM 1111 OD1 ASN A 70 18.207 7.837 -8.508 1.00 0.65 O ATOM 1112 ND2 ASN A 70 17.280 8.879 -6.760 1.00 0.57 N ATOM 0 H ASN A 70 19.407 6.153 -7.424 1.00 0.57 H new ATOM 0 HA ASN A 70 21.318 7.761 -5.826 1.00 0.57 H new ATOM 0 HB2 ASN A 70 19.637 9.583 -6.180 1.00 0.61 H new ATOM 0 HB3 ASN A 70 20.380 9.033 -7.669 1.00 0.61 H new ATOM 0 HD21 ASN A 70 16.337 8.705 -7.108 1.00 0.57 H new ATOM 0 HD22 ASN A 70 17.416 9.384 -5.884 1.00 0.57 H new ATOM 1119 N ARG A 71 19.376 5.969 -4.542 1.00 0.47 N ATOM 1120 CA ARG A 71 18.611 5.548 -3.380 1.00 0.42 C ATOM 1121 C ARG A 71 19.377 5.868 -2.105 1.00 0.45 C ATOM 1122 O ARG A 71 20.611 5.894 -2.112 1.00 0.54 O ATOM 1123 CB ARG A 71 18.307 4.050 -3.461 1.00 0.40 C ATOM 1124 CG ARG A 71 16.973 3.740 -4.125 1.00 0.46 C ATOM 1125 CD ARG A 71 17.135 3.286 -5.571 1.00 0.62 C ATOM 1126 NE ARG A 71 17.676 1.925 -5.678 1.00 0.65 N ATOM 1127 CZ ARG A 71 17.054 0.829 -5.222 1.00 0.89 C ATOM 1128 NH1 ARG A 71 15.843 0.913 -4.671 1.00 1.03 N ATOM 1129 NH2 ARG A 71 17.641 -0.359 -5.331 1.00 1.22 N ATOM 0 H ARG A 71 19.817 5.206 -5.056 1.00 0.47 H new ATOM 0 HA ARG A 71 17.667 6.092 -3.364 1.00 0.42 H new ATOM 0 HB2 ARG A 71 19.104 3.554 -4.015 1.00 0.40 H new ATOM 0 HB3 ARG A 71 18.310 3.631 -2.455 1.00 0.40 H new ATOM 0 HG2 ARG A 71 16.460 2.963 -3.558 1.00 0.46 H new ATOM 0 HG3 ARG A 71 16.340 4.627 -4.094 1.00 0.46 H new ATOM 0 HD2 ARG A 71 16.168 3.329 -6.072 1.00 0.62 H new ATOM 0 HD3 ARG A 71 17.796 3.978 -6.093 1.00 0.62 H new ATOM 0 HE ARG A 71 18.583 1.806 -6.128 1.00 0.65 H new ATOM 0 HH11 ARG A 71 15.380 1.818 -4.593 1.00 1.03 H new ATOM 0 HH12 ARG A 71 15.380 0.072 -4.328 1.00 1.03 H new ATOM 0 HH21 ARG A 71 18.563 -0.435 -5.761 1.00 1.22 H new ATOM 0 HH22 ARG A 71 17.169 -1.195 -4.985 1.00 1.22 H new ATOM 1143 N PRO A 72 18.660 6.125 -1.001 1.00 0.41 N ATOM 1144 CA PRO A 72 19.281 6.453 0.283 1.00 0.45 C ATOM 1145 C PRO A 72 20.173 5.306 0.769 1.00 0.46 C ATOM 1146 O PRO A 72 19.777 4.142 0.721 1.00 0.45 O ATOM 1147 CB PRO A 72 18.079 6.711 1.202 1.00 0.44 C ATOM 1148 CG PRO A 72 16.944 5.994 0.564 1.00 0.39 C ATOM 1149 CD PRO A 72 17.188 6.100 -0.911 1.00 0.37 C ATOM 0 HA PRO A 72 19.949 7.313 0.242 1.00 0.45 H new ATOM 0 HB2 PRO A 72 18.265 6.338 2.209 1.00 0.44 H new ATOM 0 HB3 PRO A 72 17.872 7.777 1.291 1.00 0.44 H new ATOM 0 HG2 PRO A 72 16.908 4.952 0.883 1.00 0.39 H new ATOM 0 HG3 PRO A 72 15.990 6.445 0.838 1.00 0.39 H new ATOM 0 HD2 PRO A 72 16.765 5.254 -1.452 1.00 0.37 H new ATOM 0 HD3 PRO A 72 16.742 7.002 -1.330 1.00 0.37 H new ATOM 1157 N ALA A 73 21.377 5.676 1.217 1.00 0.50 N ATOM 1158 CA ALA A 73 22.427 4.747 1.680 1.00 0.55 C ATOM 1159 C ALA A 73 21.921 3.451 2.322 1.00 0.53 C ATOM 1160 O ALA A 73 22.404 2.374 1.981 1.00 0.55 O ATOM 1161 CB ALA A 73 23.366 5.462 2.647 1.00 0.61 C ATOM 0 H ALA A 73 21.661 6.654 1.271 1.00 0.50 H new ATOM 0 HA ALA A 73 22.949 4.438 0.774 1.00 0.55 H new ATOM 0 HB1 ALA A 73 24.138 4.770 2.984 1.00 0.61 H new ATOM 0 HB2 ALA A 73 23.833 6.308 2.142 1.00 0.61 H new ATOM 0 HB3 ALA A 73 22.799 5.820 3.507 1.00 0.61 H new ATOM 1167 N TRP A 74 21.000 3.551 3.275 1.00 0.52 N ATOM 1168 CA TRP A 74 20.474 2.365 3.960 1.00 0.53 C ATOM 1169 C TRP A 74 19.928 1.303 2.997 1.00 0.50 C ATOM 1170 O TRP A 74 20.183 0.116 3.189 1.00 0.52 O ATOM 1171 CB TRP A 74 19.409 2.748 4.995 1.00 0.55 C ATOM 1172 CG TRP A 74 19.553 4.136 5.506 1.00 0.55 C ATOM 1173 CD1 TRP A 74 20.511 4.595 6.357 1.00 0.61 C ATOM 1174 CD2 TRP A 74 18.712 5.252 5.198 1.00 0.52 C ATOM 1175 NE1 TRP A 74 20.306 5.925 6.614 1.00 0.61 N ATOM 1176 CE2 TRP A 74 19.206 6.351 5.913 1.00 0.55 C ATOM 1177 CE3 TRP A 74 17.584 5.431 4.393 1.00 0.47 C ATOM 1178 CZ2 TRP A 74 18.613 7.605 5.853 1.00 0.55 C ATOM 1179 CZ3 TRP A 74 17.004 6.685 4.332 1.00 0.48 C ATOM 1180 CH2 TRP A 74 17.520 7.754 5.060 1.00 0.51 C ATOM 0 H TRP A 74 20.601 4.434 3.593 1.00 0.52 H new ATOM 0 HA TRP A 74 21.323 1.916 4.475 1.00 0.53 H new ATOM 0 HB2 TRP A 74 18.421 2.634 4.548 1.00 0.55 H new ATOM 0 HB3 TRP A 74 19.461 2.053 5.833 1.00 0.55 H new ATOM 0 HD1 TRP A 74 21.313 4.000 6.768 1.00 0.61 H new ATOM 0 HE1 TRP A 74 20.879 6.505 7.227 1.00 0.61 H new ATOM 0 HE3 TRP A 74 17.173 4.606 3.830 1.00 0.47 H new ATOM 0 HZ2 TRP A 74 19.008 8.436 6.419 1.00 0.55 H new ATOM 0 HZ3 TRP A 74 16.135 6.838 3.709 1.00 0.48 H new ATOM 0 HH2 TRP A 74 17.042 8.720 4.993 1.00 0.51 H new ATOM 1191 N MET A 75 19.186 1.706 1.966 1.00 0.47 N ATOM 1192 CA MET A 75 18.646 0.737 1.009 1.00 0.45 C ATOM 1193 C MET A 75 19.146 1.028 -0.411 1.00 0.43 C ATOM 1194 O MET A 75 18.436 1.633 -1.214 1.00 0.43 O ATOM 1195 CB MET A 75 17.111 0.753 1.035 1.00 0.47 C ATOM 1196 CG MET A 75 16.502 0.074 2.256 1.00 0.66 C ATOM 1197 SD MET A 75 16.463 -1.726 2.120 1.00 1.13 S ATOM 1198 CE MET A 75 15.440 -1.935 0.664 1.00 1.43 C ATOM 0 H MET A 75 18.947 2.679 1.772 1.00 0.47 H new ATOM 0 HA MET A 75 18.996 -0.252 1.303 1.00 0.45 H new ATOM 0 HB2 MET A 75 16.769 1.787 0.999 1.00 0.47 H new ATOM 0 HB3 MET A 75 16.738 0.262 0.136 1.00 0.47 H new ATOM 0 HG2 MET A 75 17.073 0.353 3.142 1.00 0.66 H new ATOM 0 HG3 MET A 75 15.487 0.443 2.401 1.00 0.66 H new ATOM 0 HE1 MET A 75 14.905 -2.883 0.728 1.00 1.43 H new ATOM 0 HE2 MET A 75 14.723 -1.117 0.603 1.00 1.43 H new ATOM 0 HE3 MET A 75 16.069 -1.933 -0.226 1.00 1.43 H new ATOM 1208 N PRO A 76 20.383 0.613 -0.733 1.00 0.46 N ATOM 1209 CA PRO A 76 20.991 0.828 -2.038 1.00 0.49 C ATOM 1210 C PRO A 76 20.947 -0.412 -2.941 1.00 0.48 C ATOM 1211 O PRO A 76 20.058 -1.257 -2.812 1.00 0.47 O ATOM 1212 CB PRO A 76 22.429 1.144 -1.630 1.00 0.59 C ATOM 1213 CG PRO A 76 22.679 0.328 -0.395 1.00 0.61 C ATOM 1214 CD PRO A 76 21.327 -0.073 0.159 1.00 0.53 C ATOM 0 HA PRO A 76 20.485 1.594 -2.626 1.00 0.49 H new ATOM 0 HB2 PRO A 76 23.129 0.882 -2.423 1.00 0.59 H new ATOM 0 HB3 PRO A 76 22.557 2.208 -1.431 1.00 0.59 H new ATOM 0 HG2 PRO A 76 23.275 -0.554 -0.631 1.00 0.61 H new ATOM 0 HG3 PRO A 76 23.240 0.905 0.340 1.00 0.61 H new ATOM 0 HD2 PRO A 76 21.188 -1.154 0.138 1.00 0.53 H new ATOM 0 HD3 PRO A 76 21.206 0.244 1.195 1.00 0.53 H new ATOM 1222 N GLU A 77 21.929 -0.503 -3.847 1.00 0.49 N ATOM 1223 CA GLU A 77 22.067 -1.617 -4.784 1.00 0.49 C ATOM 1224 C GLU A 77 20.771 -2.006 -5.497 1.00 0.47 C ATOM 1225 O GLU A 77 20.160 -1.201 -6.211 1.00 0.47 O ATOM 1226 CB GLU A 77 22.666 -2.826 -4.070 1.00 0.51 C ATOM 1227 CG GLU A 77 24.165 -2.718 -3.879 1.00 0.60 C ATOM 1228 CD GLU A 77 24.934 -2.992 -5.155 1.00 0.75 C ATOM 1229 OE1 GLU A 77 24.684 -4.033 -5.795 1.00 1.25 O ATOM 1230 OE2 GLU A 77 25.792 -2.167 -5.522 1.00 1.38 O ATOM 0 H GLU A 77 22.657 0.205 -3.948 1.00 0.49 H new ATOM 0 HA GLU A 77 22.738 -1.269 -5.569 1.00 0.49 H new ATOM 0 HB2 GLU A 77 22.189 -2.940 -3.097 1.00 0.51 H new ATOM 0 HB3 GLU A 77 22.442 -3.726 -4.642 1.00 0.51 H new ATOM 0 HG2 GLU A 77 24.411 -1.719 -3.518 1.00 0.60 H new ATOM 0 HG3 GLU A 77 24.482 -3.422 -3.110 1.00 0.60 H new ATOM 1237 N LYS A 78 20.328 -3.230 -5.273 1.00 0.46 N ATOM 1238 CA LYS A 78 19.153 -3.728 -5.949 1.00 0.45 C ATOM 1239 C LYS A 78 18.333 -4.617 -5.042 1.00 0.42 C ATOM 1240 O LYS A 78 18.855 -5.191 -4.085 1.00 0.44 O ATOM 1241 CB LYS A 78 19.556 -4.492 -7.215 1.00 0.50 C ATOM 1242 CG LYS A 78 20.451 -5.694 -6.955 1.00 0.55 C ATOM 1243 CD LYS A 78 21.900 -5.396 -7.300 1.00 0.66 C ATOM 1244 CE LYS A 78 22.809 -6.543 -6.893 1.00 0.78 C ATOM 1245 NZ LYS A 78 24.238 -6.238 -7.159 1.00 0.90 N ATOM 0 H LYS A 78 20.764 -3.891 -4.631 1.00 0.46 H new ATOM 0 HA LYS A 78 18.537 -2.873 -6.228 1.00 0.45 H new ATOM 0 HB2 LYS A 78 18.654 -4.828 -7.727 1.00 0.50 H new ATOM 0 HB3 LYS A 78 20.070 -3.809 -7.891 1.00 0.50 H new ATOM 0 HG2 LYS A 78 20.378 -5.983 -5.907 1.00 0.55 H new ATOM 0 HG3 LYS A 78 20.103 -6.542 -7.545 1.00 0.55 H new ATOM 0 HD2 LYS A 78 21.992 -5.218 -8.371 1.00 0.66 H new ATOM 0 HD3 LYS A 78 22.216 -4.482 -6.797 1.00 0.66 H new ATOM 0 HE2 LYS A 78 22.674 -6.754 -5.832 1.00 0.78 H new ATOM 0 HE3 LYS A 78 22.523 -7.444 -7.436 1.00 0.78 H new ATOM 0 HZ1 LYS A 78 24.839 -6.883 -6.608 1.00 0.90 H new ATOM 0 HZ2 LYS A 78 24.436 -6.361 -8.172 1.00 0.90 H new ATOM 0 HZ3 LYS A 78 24.440 -5.256 -6.883 1.00 0.90 H new ATOM 1259 N ILE A 79 17.052 -4.737 -5.359 1.00 0.40 N ATOM 1260 CA ILE A 79 16.144 -5.543 -4.563 1.00 0.39 C ATOM 1261 C ILE A 79 15.069 -6.129 -5.441 1.00 0.36 C ATOM 1262 O ILE A 79 14.788 -5.618 -6.522 1.00 0.36 O ATOM 1263 CB ILE A 79 15.454 -4.726 -3.446 1.00 0.40 C ATOM 1264 CG1 ILE A 79 14.930 -3.395 -3.994 1.00 0.46 C ATOM 1265 CG2 ILE A 79 16.400 -4.491 -2.278 1.00 0.49 C ATOM 1266 CD1 ILE A 79 13.920 -2.723 -3.088 1.00 0.59 C ATOM 0 H ILE A 79 16.619 -4.284 -6.164 1.00 0.40 H new ATOM 0 HA ILE A 79 16.746 -6.326 -4.102 1.00 0.39 H new ATOM 0 HB ILE A 79 14.605 -5.305 -3.081 1.00 0.40 H new ATOM 0 HG12 ILE A 79 15.771 -2.720 -4.151 1.00 0.46 H new ATOM 0 HG13 ILE A 79 14.474 -3.567 -4.969 1.00 0.46 H new ATOM 0 HG21 ILE A 79 15.890 -3.914 -1.507 1.00 0.49 H new ATOM 0 HG22 ILE A 79 16.714 -5.450 -1.866 1.00 0.49 H new ATOM 0 HG23 ILE A 79 17.275 -3.940 -2.624 1.00 0.49 H new ATOM 0 HD11 ILE A 79 13.593 -1.786 -3.539 1.00 0.59 H new ATOM 0 HD12 ILE A 79 13.061 -3.379 -2.951 1.00 0.59 H new ATOM 0 HD13 ILE A 79 14.378 -2.519 -2.120 1.00 0.59 H new ATOM 1278 N SER A 80 14.481 -7.212 -4.987 1.00 0.35 N ATOM 1279 CA SER A 80 13.408 -7.836 -5.716 1.00 0.34 C ATOM 1280 C SER A 80 12.175 -6.945 -5.649 1.00 0.33 C ATOM 1281 O SER A 80 11.555 -6.819 -4.586 1.00 0.35 O ATOM 1282 CB SER A 80 13.128 -9.209 -5.111 1.00 0.36 C ATOM 1283 OG SER A 80 13.794 -9.350 -3.863 1.00 0.64 O ATOM 0 H SER A 80 14.730 -7.678 -4.114 1.00 0.35 H new ATOM 0 HA SER A 80 13.682 -7.968 -6.763 1.00 0.34 H new ATOM 0 HB2 SER A 80 12.055 -9.340 -4.974 1.00 0.36 H new ATOM 0 HB3 SER A 80 13.459 -9.989 -5.796 1.00 0.36 H new ATOM 0 HG SER A 80 14.732 -9.589 -4.018 1.00 0.64 H new ATOM 1289 N LYS A 81 11.826 -6.317 -6.766 1.00 0.31 N ATOM 1290 CA LYS A 81 10.675 -5.428 -6.809 1.00 0.31 C ATOM 1291 C LYS A 81 9.401 -6.265 -6.761 1.00 0.30 C ATOM 1292 O LYS A 81 9.225 -7.172 -7.572 1.00 0.30 O ATOM 1293 CB LYS A 81 10.700 -4.568 -8.083 1.00 0.32 C ATOM 1294 CG LYS A 81 10.487 -3.073 -7.838 1.00 0.45 C ATOM 1295 CD LYS A 81 11.784 -2.357 -7.457 1.00 0.60 C ATOM 1296 CE LYS A 81 11.620 -0.837 -7.508 1.00 0.81 C ATOM 1297 NZ LYS A 81 12.873 -0.107 -7.150 1.00 0.98 N ATOM 0 H LYS A 81 12.324 -6.408 -7.652 1.00 0.31 H new ATOM 0 HA LYS A 81 10.706 -4.757 -5.951 1.00 0.31 H new ATOM 0 HB2 LYS A 81 11.658 -4.709 -8.584 1.00 0.32 H new ATOM 0 HB3 LYS A 81 9.928 -4.926 -8.764 1.00 0.32 H new ATOM 0 HG2 LYS A 81 10.072 -2.615 -8.736 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.753 -2.938 -7.043 1.00 0.45 H new ATOM 0 HD2 LYS A 81 12.086 -2.658 -6.454 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.582 -2.661 -8.135 1.00 0.60 H new ATOM 0 HE2 LYS A 81 11.308 -0.543 -8.510 1.00 0.81 H new ATOM 0 HE3 LYS A 81 10.824 -0.539 -6.826 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 12.797 0.884 -7.456 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 13.013 -0.142 -6.120 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 13.683 -0.554 -7.625 1.00 0.98 H new ATOM 1311 N PRO A 82 8.519 -6.001 -5.789 1.00 0.32 N ATOM 1312 CA PRO A 82 7.279 -6.745 -5.631 1.00 0.33 C ATOM 1313 C PRO A 82 6.115 -6.176 -6.440 1.00 0.31 C ATOM 1314 O PRO A 82 5.989 -4.962 -6.612 1.00 0.34 O ATOM 1315 CB PRO A 82 7.006 -6.638 -4.131 1.00 0.38 C ATOM 1316 CG PRO A 82 7.801 -5.471 -3.627 1.00 0.48 C ATOM 1317 CD PRO A 82 8.661 -4.968 -4.759 1.00 0.36 C ATOM 0 HA PRO A 82 7.374 -7.767 -5.999 1.00 0.33 H new ATOM 0 HB2 PRO A 82 5.943 -6.492 -3.941 1.00 0.38 H new ATOM 0 HB3 PRO A 82 7.298 -7.555 -3.619 1.00 0.38 H new ATOM 0 HG2 PRO A 82 7.137 -4.682 -3.273 1.00 0.48 H new ATOM 0 HG3 PRO A 82 8.421 -5.769 -2.781 1.00 0.48 H new ATOM 0 HD2 PRO A 82 8.323 -3.996 -5.118 1.00 0.36 H new ATOM 0 HD3 PRO A 82 9.700 -4.850 -4.451 1.00 0.36 H new ATOM 1325 N PHE A 83 5.271 -7.072 -6.938 1.00 0.30 N ATOM 1326 CA PHE A 83 4.127 -6.678 -7.752 1.00 0.29 C ATOM 1327 C PHE A 83 2.791 -6.926 -7.061 1.00 0.28 C ATOM 1328 O PHE A 83 2.380 -8.066 -6.844 1.00 0.27 O ATOM 1329 CB PHE A 83 4.174 -7.379 -9.106 1.00 0.30 C ATOM 1330 CG PHE A 83 5.279 -6.852 -9.972 1.00 0.33 C ATOM 1331 CD1 PHE A 83 6.595 -7.111 -9.643 1.00 0.39 C ATOM 1332 CD2 PHE A 83 5.008 -6.078 -11.086 1.00 0.36 C ATOM 1333 CE1 PHE A 83 7.625 -6.616 -10.403 1.00 0.43 C ATOM 1334 CE2 PHE A 83 6.039 -5.573 -11.857 1.00 0.40 C ATOM 1335 CZ PHE A 83 7.351 -5.843 -11.515 1.00 0.42 C ATOM 0 H PHE A 83 5.357 -8.078 -6.792 1.00 0.30 H new ATOM 0 HA PHE A 83 4.201 -5.601 -7.902 1.00 0.29 H new ATOM 0 HB2 PHE A 83 4.310 -8.450 -8.956 1.00 0.30 H new ATOM 0 HB3 PHE A 83 3.220 -7.248 -9.616 1.00 0.30 H new ATOM 0 HD1 PHE A 83 6.817 -7.713 -8.774 1.00 0.39 H new ATOM 0 HD2 PHE A 83 3.984 -5.867 -11.356 1.00 0.36 H new ATOM 0 HE1 PHE A 83 8.648 -6.830 -10.132 1.00 0.43 H new ATOM 0 HE2 PHE A 83 5.820 -4.969 -12.725 1.00 0.40 H new ATOM 0 HZ PHE A 83 8.159 -5.451 -12.115 1.00 0.42 H new ATOM 1345 N VAL A 84 2.156 -5.816 -6.713 1.00 0.27 N ATOM 1346 CA VAL A 84 0.847 -5.811 -6.058 1.00 0.27 C ATOM 1347 C VAL A 84 -0.253 -6.128 -7.079 1.00 0.28 C ATOM 1348 O VAL A 84 -0.684 -5.252 -7.833 1.00 0.30 O ATOM 1349 CB VAL A 84 0.550 -4.416 -5.396 1.00 0.28 C ATOM 1350 CG1 VAL A 84 -0.879 -4.323 -4.795 1.00 0.29 C ATOM 1351 CG2 VAL A 84 1.600 -4.070 -4.323 1.00 0.28 C ATOM 0 H VAL A 84 2.535 -4.883 -6.877 1.00 0.27 H new ATOM 0 HA VAL A 84 0.860 -6.573 -5.279 1.00 0.27 H new ATOM 0 HB VAL A 84 0.610 -3.684 -6.201 1.00 0.28 H new ATOM 0 HG11 VAL A 84 -1.024 -3.337 -4.353 1.00 0.29 H new ATOM 0 HG12 VAL A 84 -1.616 -4.479 -5.583 1.00 0.29 H new ATOM 0 HG13 VAL A 84 -1.001 -5.087 -4.027 1.00 0.29 H new ATOM 0 HG21 VAL A 84 1.366 -3.100 -3.885 1.00 0.28 H new ATOM 0 HG22 VAL A 84 1.589 -4.832 -3.544 1.00 0.28 H new ATOM 0 HG23 VAL A 84 2.589 -4.033 -4.780 1.00 0.28 H new ATOM 1361 N LYS A 85 -0.677 -7.387 -7.125 1.00 0.28 N ATOM 1362 CA LYS A 85 -1.729 -7.809 -8.043 1.00 0.29 C ATOM 1363 C LYS A 85 -3.058 -7.919 -7.295 1.00 0.28 C ATOM 1364 O LYS A 85 -3.323 -8.920 -6.630 1.00 0.28 O ATOM 1365 CB LYS A 85 -1.369 -9.153 -8.703 1.00 0.30 C ATOM 1366 CG LYS A 85 -2.165 -9.463 -9.969 1.00 0.33 C ATOM 1367 CD LYS A 85 -3.544 -10.030 -9.647 1.00 0.34 C ATOM 1368 CE LYS A 85 -4.501 -9.911 -10.825 1.00 0.38 C ATOM 1369 NZ LYS A 85 -5.923 -9.905 -10.380 1.00 0.40 N ATOM 0 H LYS A 85 -0.308 -8.134 -6.536 1.00 0.28 H new ATOM 0 HA LYS A 85 -1.827 -7.061 -8.830 1.00 0.29 H new ATOM 0 HB2 LYS A 85 -0.307 -9.152 -8.947 1.00 0.30 H new ATOM 0 HB3 LYS A 85 -1.530 -9.954 -7.981 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -2.275 -8.554 -10.561 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -1.612 -10.177 -10.580 1.00 0.33 H new ATOM 0 HD2 LYS A 85 -3.447 -11.078 -9.363 1.00 0.34 H new ATOM 0 HD3 LYS A 85 -3.960 -9.504 -8.788 1.00 0.34 H new ATOM 0 HE2 LYS A 85 -4.288 -8.995 -11.376 1.00 0.38 H new ATOM 0 HE3 LYS A 85 -4.338 -10.741 -11.512 1.00 0.38 H new ATOM 0 HZ1 LYS A 85 -6.542 -9.738 -11.199 1.00 0.40 H new ATOM 0 HZ2 LYS A 85 -6.156 -10.823 -9.951 1.00 0.40 H new ATOM 0 HZ3 LYS A 85 -6.064 -9.150 -9.679 1.00 0.40 H new ATOM 1383 N LYS A 86 -3.876 -6.875 -7.403 1.00 0.29 N ATOM 1384 CA LYS A 86 -5.186 -6.824 -6.750 1.00 0.29 C ATOM 1385 C LYS A 86 -6.054 -8.017 -7.172 1.00 0.28 C ATOM 1386 O LYS A 86 -6.561 -8.045 -8.296 1.00 0.29 O ATOM 1387 CB LYS A 86 -5.888 -5.506 -7.117 1.00 0.33 C ATOM 1388 CG LYS A 86 -5.475 -4.318 -6.254 1.00 0.53 C ATOM 1389 CD LYS A 86 -5.726 -2.988 -6.947 1.00 0.84 C ATOM 1390 CE LYS A 86 -5.333 -1.824 -6.049 1.00 0.94 C ATOM 1391 NZ LYS A 86 -6.501 -0.988 -5.657 1.00 0.56 N ATOM 0 H LYS A 86 -3.652 -6.040 -7.945 1.00 0.29 H new ATOM 0 HA LYS A 86 -5.042 -6.874 -5.671 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -5.678 -5.273 -8.161 1.00 0.33 H new ATOM 0 HB3 LYS A 86 -6.966 -5.645 -7.032 1.00 0.33 H new ATOM 0 HG2 LYS A 86 -6.026 -4.345 -5.314 1.00 0.53 H new ATOM 0 HG3 LYS A 86 -4.417 -4.402 -6.006 1.00 0.53 H new ATOM 0 HD2 LYS A 86 -5.157 -2.944 -7.876 1.00 0.84 H new ATOM 0 HD3 LYS A 86 -6.779 -2.906 -7.215 1.00 0.84 H new ATOM 0 HE2 LYS A 86 -4.848 -2.209 -5.152 1.00 0.94 H new ATOM 0 HE3 LYS A 86 -4.602 -1.202 -6.565 1.00 0.94 H new ATOM 0 HZ1 LYS A 86 -6.181 -0.209 -5.046 1.00 0.56 H new ATOM 0 HZ2 LYS A 86 -6.950 -0.597 -6.510 1.00 0.56 H new ATOM 0 HZ3 LYS A 86 -7.189 -1.573 -5.141 1.00 0.56 H new ATOM 1405 N GLU A 87 -6.185 -9.026 -6.302 1.00 0.27 N ATOM 1406 CA GLU A 87 -6.997 -10.190 -6.633 1.00 0.28 C ATOM 1407 C GLU A 87 -8.457 -9.922 -6.294 1.00 0.28 C ATOM 1408 O GLU A 87 -9.292 -9.825 -7.195 1.00 0.30 O ATOM 1409 CB GLU A 87 -6.477 -11.434 -5.909 1.00 0.31 C ATOM 1410 CG GLU A 87 -6.653 -12.726 -6.691 1.00 0.35 C ATOM 1411 CD GLU A 87 -5.860 -12.732 -7.986 1.00 0.40 C ATOM 1412 OE1 GLU A 87 -6.361 -12.194 -8.996 1.00 0.86 O ATOM 1413 OE2 GLU A 87 -4.736 -13.273 -8.003 1.00 0.86 O ATOM 0 H GLU A 87 -5.746 -9.056 -5.382 1.00 0.27 H new ATOM 0 HA GLU A 87 -6.925 -10.378 -7.704 1.00 0.28 H new ATOM 0 HB2 GLU A 87 -5.418 -11.297 -5.688 1.00 0.31 H new ATOM 0 HB3 GLU A 87 -6.993 -11.527 -4.953 1.00 0.31 H new ATOM 0 HG2 GLU A 87 -6.340 -13.567 -6.073 1.00 0.35 H new ATOM 0 HG3 GLU A 87 -7.710 -12.871 -6.915 1.00 0.35 H new ATOM 1420 N ARG A 88 -8.774 -9.802 -5.010 1.00 0.29 N ATOM 1421 CA ARG A 88 -10.142 -9.512 -4.610 1.00 0.29 C ATOM 1422 C ARG A 88 -10.257 -9.235 -3.116 1.00 0.30 C ATOM 1423 O ARG A 88 -9.949 -10.076 -2.280 1.00 0.37 O ATOM 1424 CB ARG A 88 -11.098 -10.655 -4.988 1.00 0.33 C ATOM 1425 CG ARG A 88 -12.489 -10.185 -5.429 1.00 0.34 C ATOM 1426 CD ARG A 88 -12.948 -8.958 -4.638 1.00 0.33 C ATOM 1427 NE ARG A 88 -14.388 -8.697 -4.720 1.00 0.37 N ATOM 1428 CZ ARG A 88 -15.312 -9.349 -4.008 1.00 0.50 C ATOM 1429 NH1 ARG A 88 -14.966 -10.344 -3.199 1.00 0.58 N ATOM 1430 NH2 ARG A 88 -16.586 -8.997 -4.099 1.00 0.67 N ATOM 0 H ARG A 88 -8.112 -9.900 -4.240 1.00 0.29 H new ATOM 0 HA ARG A 88 -10.430 -8.612 -5.153 1.00 0.29 H new ATOM 0 HB2 ARG A 88 -10.651 -11.238 -5.793 1.00 0.33 H new ATOM 0 HB3 ARG A 88 -11.206 -11.323 -4.133 1.00 0.33 H new ATOM 0 HG2 ARG A 88 -12.473 -9.947 -6.493 1.00 0.34 H new ATOM 0 HG3 ARG A 88 -13.206 -10.994 -5.294 1.00 0.34 H new ATOM 0 HD2 ARG A 88 -12.673 -9.090 -3.592 1.00 0.33 H new ATOM 0 HD3 ARG A 88 -12.410 -8.083 -5.001 1.00 0.33 H new ATOM 0 HE ARG A 88 -14.705 -7.971 -5.362 1.00 0.37 H new ATOM 0 HH11 ARG A 88 -13.987 -10.617 -3.117 1.00 0.58 H new ATOM 0 HH12 ARG A 88 -15.680 -10.835 -2.660 1.00 0.58 H new ATOM 0 HH21 ARG A 88 -16.860 -8.229 -4.712 1.00 0.67 H new ATOM 0 HH22 ARG A 88 -17.292 -9.494 -3.556 1.00 0.67 H new ATOM 1444 N ILE A 89 -10.685 -8.028 -2.806 1.00 0.27 N ATOM 1445 CA ILE A 89 -10.925 -7.629 -1.438 1.00 0.27 C ATOM 1446 C ILE A 89 -12.372 -7.996 -1.100 1.00 0.28 C ATOM 1447 O ILE A 89 -13.297 -7.570 -1.797 1.00 0.30 O ATOM 1448 CB ILE A 89 -10.667 -6.120 -1.266 1.00 0.28 C ATOM 1449 CG1 ILE A 89 -9.165 -5.839 -1.379 1.00 0.31 C ATOM 1450 CG2 ILE A 89 -11.207 -5.618 0.068 1.00 0.28 C ATOM 1451 CD1 ILE A 89 -8.839 -4.439 -1.856 1.00 0.42 C ATOM 0 H ILE A 89 -10.875 -7.300 -3.494 1.00 0.27 H new ATOM 0 HA ILE A 89 -10.247 -8.143 -0.757 1.00 0.27 H new ATOM 0 HB ILE A 89 -11.193 -5.585 -2.057 1.00 0.28 H new ATOM 0 HG12 ILE A 89 -8.701 -5.998 -0.406 1.00 0.31 H new ATOM 0 HG13 ILE A 89 -8.721 -6.559 -2.066 1.00 0.31 H new ATOM 0 HG21 ILE A 89 -11.010 -4.550 0.161 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -12.282 -5.795 0.115 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -10.716 -6.150 0.883 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -7.757 -4.316 -1.911 1.00 0.42 H new ATOM 0 HD12 ILE A 89 -9.273 -4.281 -2.844 1.00 0.42 H new ATOM 0 HD13 ILE A 89 -9.252 -3.711 -1.158 1.00 0.42 H new ATOM 1463 N GLU A 90 -12.573 -8.771 -0.040 1.00 0.28 N ATOM 1464 CA GLU A 90 -13.915 -9.228 0.322 1.00 0.31 C ATOM 1465 C GLU A 90 -14.688 -8.124 1.023 1.00 0.30 C ATOM 1466 O GLU A 90 -14.086 -7.180 1.535 1.00 0.29 O ATOM 1467 CB GLU A 90 -13.838 -10.464 1.219 1.00 0.35 C ATOM 1468 CG GLU A 90 -13.172 -11.664 0.561 1.00 0.45 C ATOM 1469 CD GLU A 90 -13.905 -12.134 -0.679 1.00 0.59 C ATOM 1470 OE1 GLU A 90 -15.054 -12.612 -0.549 1.00 0.77 O ATOM 1471 OE2 GLU A 90 -13.335 -12.038 -1.785 1.00 0.80 O ATOM 0 H GLU A 90 -11.832 -9.095 0.581 1.00 0.28 H new ATOM 0 HA GLU A 90 -14.441 -9.492 -0.596 1.00 0.31 H new ATOM 0 HB2 GLU A 90 -13.290 -10.209 2.126 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -14.847 -10.743 1.524 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -12.147 -11.405 0.296 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -13.118 -12.483 1.278 1.00 0.45 H new ATOM 1478 N LYS A 91 -16.007 -8.280 1.109 1.00 0.34 N ATOM 1479 CA LYS A 91 -16.856 -7.260 1.713 1.00 0.36 C ATOM 1480 C LYS A 91 -17.728 -7.845 2.817 1.00 0.39 C ATOM 1481 O LYS A 91 -18.236 -8.965 2.698 1.00 0.43 O ATOM 1482 CB LYS A 91 -17.782 -6.632 0.664 1.00 0.39 C ATOM 1483 CG LYS A 91 -17.075 -6.048 -0.547 1.00 0.36 C ATOM 1484 CD LYS A 91 -18.081 -5.608 -1.601 1.00 0.50 C ATOM 1485 CE LYS A 91 -17.412 -4.932 -2.788 1.00 0.48 C ATOM 1486 NZ LYS A 91 -16.953 -3.553 -2.466 1.00 0.82 N ATOM 0 H LYS A 91 -16.508 -9.101 0.769 1.00 0.34 H new ATOM 0 HA LYS A 91 -16.191 -6.505 2.132 1.00 0.36 H new ATOM 0 HB2 LYS A 91 -18.488 -7.390 0.324 1.00 0.39 H new ATOM 0 HB3 LYS A 91 -18.365 -5.844 1.141 1.00 0.39 H new ATOM 0 HG2 LYS A 91 -16.465 -5.197 -0.242 1.00 0.36 H new ATOM 0 HG3 LYS A 91 -16.398 -6.790 -0.971 1.00 0.36 H new ATOM 0 HD2 LYS A 91 -18.643 -6.475 -1.948 1.00 0.50 H new ATOM 0 HD3 LYS A 91 -18.799 -4.922 -1.152 1.00 0.50 H new ATOM 0 HE2 LYS A 91 -16.560 -5.530 -3.112 1.00 0.48 H new ATOM 0 HE3 LYS A 91 -18.111 -4.894 -3.624 1.00 0.48 H new ATOM 0 HZ1 LYS A 91 -16.504 -3.132 -3.304 1.00 0.82 H new ATOM 0 HZ2 LYS A 91 -17.768 -2.973 -2.182 1.00 0.82 H new ATOM 0 HZ3 LYS A 91 -16.266 -3.589 -1.686 1.00 0.82 H new ATOM 1500 N LEU A 92 -17.884 -7.086 3.887 1.00 0.41 N ATOM 1501 CA LEU A 92 -18.730 -7.470 5.005 1.00 0.45 C ATOM 1502 C LEU A 92 -19.190 -6.202 5.706 1.00 0.46 C ATOM 1503 O LEU A 92 -18.367 -5.388 6.127 1.00 0.46 O ATOM 1504 CB LEU A 92 -17.989 -8.398 5.977 1.00 0.47 C ATOM 1505 CG LEU A 92 -18.825 -8.939 7.141 1.00 0.53 C ATOM 1506 CD1 LEU A 92 -20.030 -9.714 6.632 1.00 0.63 C ATOM 1507 CD2 LEU A 92 -17.970 -9.816 8.042 1.00 0.56 C ATOM 0 H LEU A 92 -17.426 -6.182 4.006 1.00 0.41 H new ATOM 0 HA LEU A 92 -19.591 -8.028 4.637 1.00 0.45 H new ATOM 0 HB2 LEU A 92 -17.593 -9.243 5.414 1.00 0.47 H new ATOM 0 HB3 LEU A 92 -17.135 -7.859 6.386 1.00 0.47 H new ATOM 0 HG LEU A 92 -19.190 -8.091 7.721 1.00 0.53 H new ATOM 0 HD11 LEU A 92 -20.607 -10.087 7.478 1.00 0.63 H new ATOM 0 HD12 LEU A 92 -20.656 -9.058 6.028 1.00 0.63 H new ATOM 0 HD13 LEU A 92 -19.692 -10.554 6.024 1.00 0.63 H new ATOM 0 HD21 LEU A 92 -18.577 -10.193 8.865 1.00 0.56 H new ATOM 0 HD22 LEU A 92 -17.577 -10.654 7.467 1.00 0.56 H new ATOM 0 HD23 LEU A 92 -17.142 -9.230 8.441 1.00 0.56 H new