USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 747 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 90 HIS : no HD1:sc=-0.00775 X(o=-0.0077,f=-0.11) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 SER OG : rot 170:sc= -1.46 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc=-0.00262 USER MOD Set 3.1: A 15 SER OG : rot -70:sc= 0.833 USER MOD Set 3.2: A 36 ASN : amide:sc= -1.47 K(o=-0.63,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0647 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.585 USER MOD Single : A 3 SER OG : rot 46:sc= 0.999 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 13:sc= 0.485 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 14:sc= 0.754 USER MOD Single : A 29 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.21) USER MOD Single : A 37 SER OG : rot 180:sc= -0.572 USER MOD Single : A 38 ASN : amide:sc= -6.46! C(o=-6.5!,f=-15!) USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= 1.13 (180deg=-0.795) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD Single : A 47 SER OG : rot -37:sc= 0.937 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-2!) USER MOD Single : A 52 CYS SG : rot 51:sc= -0.628 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc=-0.00299 X(o=-0.003,f=-0.18) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 74 GLN : amide:sc= -0.963 K(o=-0.96,f=-1.7) USER MOD Single : A 81 SER OG : rot 69:sc= 0.787 USER MOD Single : A 84 HIS : no HD1:sc= -0.555 K(o=-0.55,f=-1.4) USER MOD Single : A 89 SER OG : rot 28:sc= 0.118 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.026 -0.750 -11.756 1.00 0.00 N ATOM 2 CA GLY A 1 -19.034 -0.179 -10.419 1.00 0.00 C ATOM 3 C GLY A 1 -17.791 -0.603 -9.635 1.00 0.00 C ATOM 4 O GLY A 1 -17.204 -1.648 -9.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.866 0.004 -12.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.265 -1.455 -11.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.941 -1.208 -11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.074 0.908 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.930 -0.500 -9.888 1.00 0.00 H new ATOM 8 N SER A 2 -17.426 0.231 -8.672 1.00 0.00 N ATOM 9 CA SER A 2 -16.263 -0.044 -7.845 1.00 0.00 C ATOM 10 C SER A 2 -16.345 0.756 -6.543 1.00 0.00 C ATOM 11 O SER A 2 -15.713 1.803 -6.413 1.00 0.00 O ATOM 12 CB SER A 2 -14.968 0.285 -8.590 1.00 0.00 C ATOM 13 OG SER A 2 -14.921 1.649 -9.002 1.00 0.00 O ATOM 0 H SER A 2 -17.915 1.097 -8.446 1.00 0.00 H new ATOM 0 HA SER A 2 -16.255 -1.108 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.115 0.071 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.878 -0.361 -9.463 1.00 0.00 H new ATOM 0 HG SER A 2 -15.243 2.222 -8.275 1.00 0.00 H new ATOM 19 N SER A 3 -17.129 0.232 -5.613 1.00 0.00 N ATOM 20 CA SER A 3 -17.303 0.884 -4.326 1.00 0.00 C ATOM 21 C SER A 3 -18.112 -0.014 -3.389 1.00 0.00 C ATOM 22 O SER A 3 -18.746 -0.970 -3.833 1.00 0.00 O ATOM 23 CB SER A 3 -17.989 2.242 -4.485 1.00 0.00 C ATOM 24 OG SER A 3 -17.049 3.307 -4.586 1.00 0.00 O ATOM 0 H SER A 3 -17.651 -0.637 -5.725 1.00 0.00 H new ATOM 0 HA SER A 3 -16.317 1.054 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.618 2.228 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.646 2.418 -3.633 1.00 0.00 H new ATOM 0 HG SER A 3 -16.343 3.062 -5.220 1.00 0.00 H new ATOM 30 N GLY A 4 -18.065 0.325 -2.109 1.00 0.00 N ATOM 31 CA GLY A 4 -18.787 -0.439 -1.105 1.00 0.00 C ATOM 32 C GLY A 4 -19.212 0.454 0.062 1.00 0.00 C ATOM 33 O GLY A 4 -20.039 1.349 -0.105 1.00 0.00 O ATOM 0 H GLY A 4 -17.538 1.118 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.667 -0.898 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.158 -1.249 -0.737 1.00 0.00 H new ATOM 37 N SER A 5 -18.626 0.180 1.219 1.00 0.00 N ATOM 38 CA SER A 5 -18.934 0.947 2.414 1.00 0.00 C ATOM 39 C SER A 5 -17.914 0.637 3.511 1.00 0.00 C ATOM 40 O SER A 5 -18.007 -0.393 4.177 1.00 0.00 O ATOM 41 CB SER A 5 -20.352 0.652 2.908 1.00 0.00 C ATOM 42 OG SER A 5 -20.785 1.597 3.882 1.00 0.00 O ATOM 0 H SER A 5 -17.940 -0.562 1.354 1.00 0.00 H new ATOM 0 HA SER A 5 -18.879 2.007 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.040 0.662 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.386 -0.350 3.335 1.00 0.00 H new ATOM 0 HG SER A 5 -21.695 1.375 4.171 1.00 0.00 H new ATOM 48 N SER A 6 -16.965 1.548 3.667 1.00 0.00 N ATOM 49 CA SER A 6 -15.928 1.385 4.672 1.00 0.00 C ATOM 50 C SER A 6 -15.093 2.663 4.774 1.00 0.00 C ATOM 51 O SER A 6 -14.329 2.984 3.865 1.00 0.00 O ATOM 52 CB SER A 6 -15.031 0.189 4.349 1.00 0.00 C ATOM 53 OG SER A 6 -14.026 -0.008 5.341 1.00 0.00 O ATOM 0 H SER A 6 -16.892 2.402 3.114 1.00 0.00 H new ATOM 0 HA SER A 6 -16.409 1.195 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.641 -0.710 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.558 0.342 3.379 1.00 0.00 H new ATOM 0 HG SER A 6 -13.475 -0.782 5.099 1.00 0.00 H new ATOM 59 N GLY A 7 -15.266 3.357 5.889 1.00 0.00 N ATOM 60 CA GLY A 7 -14.538 4.593 6.122 1.00 0.00 C ATOM 61 C GLY A 7 -13.031 4.336 6.195 1.00 0.00 C ATOM 62 O GLY A 7 -12.452 3.757 5.276 1.00 0.00 O ATOM 0 H GLY A 7 -15.900 3.087 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.751 5.301 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.878 5.050 7.051 1.00 0.00 H new ATOM 66 N VAL A 8 -12.439 4.778 7.294 1.00 0.00 N ATOM 67 CA VAL A 8 -11.011 4.603 7.498 1.00 0.00 C ATOM 68 C VAL A 8 -10.259 5.108 6.265 1.00 0.00 C ATOM 69 O VAL A 8 -10.875 5.534 5.289 1.00 0.00 O ATOM 70 CB VAL A 8 -10.705 3.141 7.829 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.800 2.265 6.578 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.333 3.004 8.491 1.00 0.00 C ATOM 0 H VAL A 8 -12.922 5.257 8.053 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.671 5.192 8.350 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.455 2.794 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.578 1.231 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.807 2.327 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.082 2.613 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.141 1.955 8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.564 3.377 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.315 3.582 9.415 1.00 0.00 H new ATOM 82 N SER A 9 -8.938 5.044 6.350 1.00 0.00 N ATOM 83 CA SER A 9 -8.096 5.489 5.254 1.00 0.00 C ATOM 84 C SER A 9 -8.302 6.985 5.009 1.00 0.00 C ATOM 85 O SER A 9 -9.325 7.393 4.461 1.00 0.00 O ATOM 86 CB SER A 9 -8.388 4.697 3.977 1.00 0.00 C ATOM 87 OG SER A 9 -7.293 3.867 3.601 1.00 0.00 O ATOM 0 H SER A 9 -8.431 4.691 7.161 1.00 0.00 H new ATOM 0 HA SER A 9 -7.056 5.312 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.275 4.081 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.614 5.389 3.165 1.00 0.00 H new ATOM 0 HG SER A 9 -7.520 3.377 2.783 1.00 0.00 H new ATOM 93 N GLY A 10 -7.314 7.762 5.428 1.00 0.00 N ATOM 94 CA GLY A 10 -7.374 9.204 5.261 1.00 0.00 C ATOM 95 C GLY A 10 -6.500 9.913 6.298 1.00 0.00 C ATOM 96 O GLY A 10 -5.274 9.878 6.210 1.00 0.00 O ATOM 0 H GLY A 10 -6.467 7.420 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.043 9.472 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.406 9.542 5.357 1.00 0.00 H new ATOM 100 N ARG A 11 -7.166 10.540 7.257 1.00 0.00 N ATOM 101 CA ARG A 11 -6.465 11.256 8.309 1.00 0.00 C ATOM 102 C ARG A 11 -7.303 11.273 9.589 1.00 0.00 C ATOM 103 O ARG A 11 -8.181 12.119 9.749 1.00 0.00 O ATOM 104 CB ARG A 11 -6.161 12.695 7.888 1.00 0.00 C ATOM 105 CG ARG A 11 -5.220 13.371 8.888 1.00 0.00 C ATOM 106 CD ARG A 11 -5.990 14.314 9.815 1.00 0.00 C ATOM 107 NE ARG A 11 -5.091 14.834 10.869 1.00 0.00 N ATOM 108 CZ ARG A 11 -5.474 15.682 11.833 1.00 0.00 C ATOM 109 NH1 ARG A 11 -6.743 16.110 11.882 1.00 0.00 N ATOM 110 NH2 ARG A 11 -4.590 16.101 12.747 1.00 0.00 N ATOM 0 H ARG A 11 -8.183 10.567 7.327 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.524 10.737 8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.708 12.700 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.090 13.261 7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.707 12.613 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.453 13.929 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.407 15.141 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.829 13.786 10.269 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.118 14.527 10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.416 15.790 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.036 16.756 12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.624 15.775 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.882 16.747 13.481 1.00 0.00 H new ATOM 124 N GLU A 12 -7.003 10.328 10.468 1.00 0.00 N ATOM 125 CA GLU A 12 -7.718 10.223 11.728 1.00 0.00 C ATOM 126 C GLU A 12 -6.788 9.701 12.825 1.00 0.00 C ATOM 127 O GLU A 12 -5.752 9.106 12.533 1.00 0.00 O ATOM 128 CB GLU A 12 -8.953 9.331 11.586 1.00 0.00 C ATOM 129 CG GLU A 12 -10.192 10.159 11.243 1.00 0.00 C ATOM 130 CD GLU A 12 -11.460 9.306 11.317 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.856 8.976 12.455 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.005 9.004 10.233 1.00 0.00 O ATOM 0 H GLU A 12 -6.274 9.628 10.332 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.060 11.218 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.781 8.588 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.121 8.786 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.274 10.999 11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.089 10.577 10.242 1.00 0.00 H new ATOM 139 N PRO A 13 -7.201 9.950 14.096 1.00 0.00 N ATOM 140 CA PRO A 13 -6.416 9.512 15.238 1.00 0.00 C ATOM 141 C PRO A 13 -6.554 8.003 15.451 1.00 0.00 C ATOM 142 O PRO A 13 -7.354 7.559 16.274 1.00 0.00 O ATOM 143 CB PRO A 13 -6.938 10.327 16.410 1.00 0.00 C ATOM 144 CG PRO A 13 -8.299 10.850 15.981 1.00 0.00 C ATOM 145 CD PRO A 13 -8.423 10.652 14.480 1.00 0.00 C ATOM 0 HA PRO A 13 -5.347 9.675 15.101 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.021 9.713 17.307 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.261 11.148 16.647 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.094 10.318 16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.400 11.905 16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.310 10.070 14.229 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.511 11.606 13.961 1.00 0.00 H new ATOM 153 N SER A 14 -5.762 7.256 14.696 1.00 0.00 N ATOM 154 CA SER A 14 -5.786 5.806 14.792 1.00 0.00 C ATOM 155 C SER A 14 -4.497 5.304 15.446 1.00 0.00 C ATOM 156 O SER A 14 -4.534 4.708 16.521 1.00 0.00 O ATOM 157 CB SER A 14 -5.967 5.166 13.414 1.00 0.00 C ATOM 158 OG SER A 14 -6.299 3.783 13.508 1.00 0.00 O ATOM 0 H SER A 14 -5.100 7.627 14.015 1.00 0.00 H new ATOM 0 HA SER A 14 -6.636 5.518 15.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.752 5.691 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.049 5.280 12.838 1.00 0.00 H new ATOM 0 HG SER A 14 -6.408 3.411 12.608 1.00 0.00 H new ATOM 164 N SER A 15 -3.388 5.563 14.769 1.00 0.00 N ATOM 165 CA SER A 15 -2.090 5.145 15.271 1.00 0.00 C ATOM 166 C SER A 15 -1.008 6.118 14.798 1.00 0.00 C ATOM 167 O SER A 15 -1.310 7.125 14.160 1.00 0.00 O ATOM 168 CB SER A 15 -1.758 3.722 14.820 1.00 0.00 C ATOM 169 OG SER A 15 -2.852 2.830 15.015 1.00 0.00 O ATOM 0 H SER A 15 -3.361 6.057 13.877 1.00 0.00 H new ATOM 0 HA SER A 15 -2.126 5.153 16.360 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.482 3.731 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.892 3.359 15.373 1.00 0.00 H new ATOM 0 HG SER A 15 -2.982 2.677 15.974 1.00 0.00 H new ATOM 175 N ARG A 16 0.230 5.783 15.129 1.00 0.00 N ATOM 176 CA ARG A 16 1.359 6.614 14.746 1.00 0.00 C ATOM 177 C ARG A 16 1.655 6.453 13.254 1.00 0.00 C ATOM 178 O ARG A 16 1.882 5.341 12.779 1.00 0.00 O ATOM 179 CB ARG A 16 2.609 6.250 15.550 1.00 0.00 C ATOM 180 CG ARG A 16 2.880 7.286 16.642 1.00 0.00 C ATOM 181 CD ARG A 16 4.307 7.828 16.541 1.00 0.00 C ATOM 182 NE ARG A 16 4.345 9.239 16.987 1.00 0.00 N ATOM 183 CZ ARG A 16 3.726 10.244 16.354 1.00 0.00 C ATOM 184 NH1 ARG A 16 3.016 10.000 15.243 1.00 0.00 N ATOM 185 NH2 ARG A 16 3.815 11.493 16.831 1.00 0.00 N ATOM 0 H ARG A 16 0.477 4.947 15.659 1.00 0.00 H new ATOM 0 HA ARG A 16 1.095 7.650 14.957 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.482 5.266 16.001 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.469 6.186 14.883 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.168 8.107 16.554 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.727 6.835 17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.978 7.226 17.154 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.661 7.753 15.513 1.00 0.00 H new ATOM 0 HE ARG A 16 4.876 9.460 17.829 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.947 9.049 14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.544 10.765 14.761 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.354 11.679 17.677 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.343 12.258 16.349 1.00 0.00 H new ATOM 199 N ILE A 17 1.643 7.579 12.556 1.00 0.00 N ATOM 200 CA ILE A 17 1.907 7.576 11.127 1.00 0.00 C ATOM 201 C ILE A 17 3.418 7.632 10.892 1.00 0.00 C ATOM 202 O ILE A 17 4.161 8.144 11.728 1.00 0.00 O ATOM 203 CB ILE A 17 1.135 8.703 10.437 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.305 8.775 10.950 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.195 8.557 8.915 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.127 7.588 10.444 1.00 0.00 C ATOM 0 H ILE A 17 1.455 8.499 12.953 1.00 0.00 H new ATOM 0 HA ILE A 17 1.548 6.652 10.675 1.00 0.00 H new ATOM 0 HB ILE A 17 1.614 9.649 10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.307 8.785 12.040 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.765 9.707 10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.639 9.370 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.234 8.593 8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.755 7.603 8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.146 7.663 10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.144 7.595 9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.678 6.659 10.794 1.00 0.00 H new ATOM 218 N ILE A 18 3.827 7.099 9.751 1.00 0.00 N ATOM 219 CA ILE A 18 5.236 7.082 9.395 1.00 0.00 C ATOM 220 C ILE A 18 5.390 7.465 7.922 1.00 0.00 C ATOM 221 O ILE A 18 4.447 7.340 7.142 1.00 0.00 O ATOM 222 CB ILE A 18 5.861 5.731 9.748 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.026 4.577 9.190 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.077 5.604 11.258 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.867 3.307 9.054 1.00 0.00 C ATOM 0 H ILE A 18 3.208 6.675 9.060 1.00 0.00 H new ATOM 0 HA ILE A 18 5.785 7.823 9.976 1.00 0.00 H new ATOM 0 HB ILE A 18 6.842 5.676 9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.177 4.387 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.620 4.854 8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.522 4.635 11.482 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.743 6.397 11.598 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.119 5.690 11.771 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.249 2.502 8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.701 3.494 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.251 3.019 10.032 1.00 0.00 H new ATOM 237 N ARG A 19 6.587 7.924 7.585 1.00 0.00 N ATOM 238 CA ARG A 19 6.877 8.326 6.219 1.00 0.00 C ATOM 239 C ARG A 19 7.376 7.128 5.408 1.00 0.00 C ATOM 240 O ARG A 19 8.531 6.726 5.535 1.00 0.00 O ATOM 241 CB ARG A 19 7.933 9.432 6.184 1.00 0.00 C ATOM 242 CG ARG A 19 8.256 9.836 4.743 1.00 0.00 C ATOM 243 CD ARG A 19 9.347 10.908 4.706 1.00 0.00 C ATOM 244 NE ARG A 19 10.670 10.277 4.507 1.00 0.00 N ATOM 245 CZ ARG A 19 11.817 10.959 4.386 1.00 0.00 C ATOM 246 NH1 ARG A 19 11.810 12.297 4.442 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.972 10.302 4.208 1.00 0.00 N ATOM 0 H ARG A 19 7.367 8.026 8.234 1.00 0.00 H new ATOM 0 HA ARG A 19 5.954 8.706 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.574 10.300 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.840 9.089 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.582 8.961 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.356 10.211 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.147 11.614 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.342 11.476 5.636 1.00 0.00 H new ATOM 0 HE ARG A 19 10.712 9.259 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.931 12.797 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.683 12.816 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.978 9.283 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.845 10.821 4.116 1.00 0.00 H new ATOM 261 N VAL A 20 6.479 6.592 4.593 1.00 0.00 N ATOM 262 CA VAL A 20 6.814 5.448 3.761 1.00 0.00 C ATOM 263 C VAL A 20 6.872 5.888 2.297 1.00 0.00 C ATOM 264 O VAL A 20 5.866 6.316 1.733 1.00 0.00 O ATOM 265 CB VAL A 20 5.817 4.314 4.005 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.231 3.048 3.253 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.659 4.035 5.502 1.00 0.00 C ATOM 0 H VAL A 20 5.521 6.928 4.491 1.00 0.00 H new ATOM 0 HA VAL A 20 7.798 5.060 4.023 1.00 0.00 H new ATOM 0 HB VAL A 20 4.848 4.631 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.505 2.258 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.268 3.256 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.215 2.727 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.945 3.225 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.623 3.749 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.297 4.933 6.003 1.00 0.00 H new ATOM 277 N SER A 21 8.060 5.767 1.723 1.00 0.00 N ATOM 278 CA SER A 21 8.262 6.147 0.335 1.00 0.00 C ATOM 279 C SER A 21 7.675 5.080 -0.591 1.00 0.00 C ATOM 280 O SER A 21 7.735 3.889 -0.288 1.00 0.00 O ATOM 281 CB SER A 21 9.748 6.354 0.031 1.00 0.00 C ATOM 282 OG SER A 21 10.069 6.017 -1.316 1.00 0.00 O ATOM 0 H SER A 21 8.892 5.411 2.194 1.00 0.00 H new ATOM 0 HA SER A 21 7.748 7.092 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.015 7.394 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.345 5.745 0.709 1.00 0.00 H new ATOM 0 HG SER A 21 10.982 6.311 -1.518 1.00 0.00 H new ATOM 288 N VAL A 22 7.120 5.545 -1.700 1.00 0.00 N ATOM 289 CA VAL A 22 6.522 4.645 -2.672 1.00 0.00 C ATOM 290 C VAL A 22 7.249 4.791 -4.011 1.00 0.00 C ATOM 291 O VAL A 22 7.272 5.874 -4.593 1.00 0.00 O ATOM 292 CB VAL A 22 5.019 4.911 -2.775 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.425 4.227 -4.009 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.295 4.469 -1.502 1.00 0.00 C ATOM 0 H VAL A 22 7.072 6.533 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 22 6.634 3.609 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 22 4.876 5.986 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.356 4.432 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.910 4.611 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.586 3.151 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.228 4.669 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.451 3.401 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.689 5.021 -0.649 1.00 0.00 H new ATOM 304 N LYS A 23 7.823 3.685 -4.459 1.00 0.00 N ATOM 305 CA LYS A 23 8.549 3.676 -5.718 1.00 0.00 C ATOM 306 C LYS A 23 7.636 3.141 -6.824 1.00 0.00 C ATOM 307 O LYS A 23 7.194 1.995 -6.768 1.00 0.00 O ATOM 308 CB LYS A 23 9.861 2.902 -5.575 1.00 0.00 C ATOM 309 CG LYS A 23 10.995 3.602 -6.327 1.00 0.00 C ATOM 310 CD LYS A 23 11.725 4.594 -5.418 1.00 0.00 C ATOM 311 CE LYS A 23 13.144 4.113 -5.111 1.00 0.00 C ATOM 312 NZ LYS A 23 14.104 4.676 -6.087 1.00 0.00 N ATOM 0 H LYS A 23 7.800 2.788 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 23 8.834 4.689 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.121 2.811 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.734 1.890 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.700 2.860 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.592 4.126 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.764 5.572 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.170 4.718 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.425 4.412 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.180 3.024 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.063 4.340 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.844 4.370 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.081 5.715 -6.037 1.00 0.00 H new ATOM 326 N THR A 24 7.382 3.997 -7.803 1.00 0.00 N ATOM 327 CA THR A 24 6.530 3.625 -8.919 1.00 0.00 C ATOM 328 C THR A 24 7.357 3.495 -10.200 1.00 0.00 C ATOM 329 O THR A 24 8.451 4.049 -10.296 1.00 0.00 O ATOM 330 CB THR A 24 5.407 4.659 -9.023 1.00 0.00 C ATOM 331 OG1 THR A 24 6.091 5.902 -9.154 1.00 0.00 O ATOM 332 CG2 THR A 24 4.620 4.802 -7.719 1.00 0.00 C ATOM 0 H THR A 24 7.751 4.947 -7.846 1.00 0.00 H new ATOM 0 HA THR A 24 6.076 2.647 -8.761 1.00 0.00 H new ATOM 0 HB THR A 24 4.728 4.377 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.038 5.736 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.836 5.548 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.171 3.844 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.292 5.116 -6.921 1.00 0.00 H new ATOM 340 N PRO A 25 6.787 2.740 -11.178 1.00 0.00 N ATOM 341 CA PRO A 25 7.459 2.531 -12.449 1.00 0.00 C ATOM 342 C PRO A 25 7.382 3.784 -13.323 1.00 0.00 C ATOM 343 O PRO A 25 6.869 3.735 -14.440 1.00 0.00 O ATOM 344 CB PRO A 25 6.762 1.330 -13.069 1.00 0.00 C ATOM 345 CG PRO A 25 5.432 1.200 -12.345 1.00 0.00 C ATOM 346 CD PRO A 25 5.492 2.069 -11.099 1.00 0.00 C ATOM 0 HA PRO A 25 8.526 2.341 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.612 1.475 -14.139 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.361 0.427 -12.951 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.613 1.516 -12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.244 0.160 -12.077 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.674 2.789 -11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.412 1.468 -10.193 1.00 0.00 H new ATOM 354 N GLN A 26 7.899 4.877 -12.782 1.00 0.00 N ATOM 355 CA GLN A 26 7.895 6.141 -13.499 1.00 0.00 C ATOM 356 C GLN A 26 8.528 7.239 -12.642 1.00 0.00 C ATOM 357 O GLN A 26 9.577 7.777 -12.992 1.00 0.00 O ATOM 358 CB GLN A 26 6.477 6.526 -13.924 1.00 0.00 C ATOM 359 CG GLN A 26 6.370 6.629 -15.447 1.00 0.00 C ATOM 360 CD GLN A 26 5.187 7.510 -15.855 1.00 0.00 C ATOM 361 OE1 GLN A 26 5.329 8.682 -16.159 1.00 0.00 O ATOM 362 NE2 GLN A 26 4.015 6.881 -15.844 1.00 0.00 N ATOM 0 H GLN A 26 8.324 4.914 -11.855 1.00 0.00 H new ATOM 0 HA GLN A 26 8.491 6.025 -14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.769 5.784 -13.555 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.204 7.479 -13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.293 7.043 -15.853 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.251 5.634 -15.875 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.967 5.897 -15.579 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.165 7.382 -16.101 1.00 0.00 H new ATOM 371 N ASP A 27 7.863 7.539 -11.535 1.00 0.00 N ATOM 372 CA ASP A 27 8.347 8.563 -10.626 1.00 0.00 C ATOM 373 C ASP A 27 8.426 7.986 -9.211 1.00 0.00 C ATOM 374 O ASP A 27 8.317 6.776 -9.023 1.00 0.00 O ATOM 375 CB ASP A 27 7.400 9.764 -10.594 1.00 0.00 C ATOM 376 CG ASP A 27 8.088 11.127 -10.498 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.319 11.159 -10.713 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.367 12.108 -10.212 1.00 0.00 O ATOM 0 H ASP A 27 6.993 7.090 -11.248 1.00 0.00 H new ATOM 0 HA ASP A 27 9.328 8.887 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.785 9.747 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.726 9.653 -9.745 1.00 0.00 H new ATOM 383 N CYS A 28 8.616 8.880 -8.251 1.00 0.00 N ATOM 384 CA CYS A 28 8.712 8.475 -6.859 1.00 0.00 C ATOM 385 C CYS A 28 7.728 9.319 -6.045 1.00 0.00 C ATOM 386 O CYS A 28 7.632 10.529 -6.243 1.00 0.00 O ATOM 387 CB CYS A 28 10.142 8.598 -6.331 1.00 0.00 C ATOM 388 SG CYS A 28 10.543 10.355 -6.012 1.00 0.00 S ATOM 0 H CYS A 28 8.706 9.883 -8.410 1.00 0.00 H new ATOM 0 HA CYS A 28 8.450 7.421 -6.765 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.251 8.019 -5.414 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.843 8.182 -7.055 1.00 0.00 H new ATOM 0 HG CYS A 28 9.450 11.058 -6.020 1.00 0.00 H new ATOM 394 N HIS A 29 7.023 8.646 -5.148 1.00 0.00 N ATOM 395 CA HIS A 29 6.051 9.318 -4.303 1.00 0.00 C ATOM 396 C HIS A 29 6.229 8.864 -2.853 1.00 0.00 C ATOM 397 O HIS A 29 6.905 7.871 -2.589 1.00 0.00 O ATOM 398 CB HIS A 29 4.630 9.093 -4.825 1.00 0.00 C ATOM 399 CG HIS A 29 3.764 10.330 -4.801 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.099 11.492 -5.473 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.573 10.572 -4.182 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.146 12.388 -5.259 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.202 11.816 -4.459 1.00 0.00 N ATOM 0 H HIS A 29 7.106 7.642 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 29 6.221 10.394 -4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.684 8.720 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.153 8.316 -4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.025 9.871 -3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.122 13.395 -5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.351 12.269 -4.128 1.00 0.00 H new ATOM 411 N GLU A 30 5.610 9.613 -1.952 1.00 0.00 N ATOM 412 CA GLU A 30 5.692 9.299 -0.535 1.00 0.00 C ATOM 413 C GLU A 30 4.290 9.183 0.065 1.00 0.00 C ATOM 414 O GLU A 30 3.379 9.910 -0.331 1.00 0.00 O ATOM 415 CB GLU A 30 6.523 10.346 0.211 1.00 0.00 C ATOM 416 CG GLU A 30 5.806 11.697 0.237 1.00 0.00 C ATOM 417 CD GLU A 30 6.800 12.849 0.073 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.361 12.959 -1.038 1.00 0.00 O ATOM 419 OE2 GLU A 30 6.976 13.592 1.062 1.00 0.00 O ATOM 0 H GLU A 30 5.050 10.436 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 30 6.194 8.338 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.709 10.009 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.495 10.455 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.065 11.735 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.267 11.808 1.178 1.00 0.00 H new ATOM 426 N PHE A 31 4.159 8.263 1.009 1.00 0.00 N ATOM 427 CA PHE A 31 2.883 8.042 1.668 1.00 0.00 C ATOM 428 C PHE A 31 3.052 7.987 3.187 1.00 0.00 C ATOM 429 O PHE A 31 4.021 7.418 3.687 1.00 0.00 O ATOM 430 CB PHE A 31 2.353 6.694 1.175 1.00 0.00 C ATOM 431 CG PHE A 31 1.716 6.745 -0.215 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.478 7.039 -1.302 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.387 6.497 -0.363 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.887 7.087 -2.592 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.205 6.545 -1.653 1.00 0.00 C ATOM 436 CZ PHE A 31 0.558 6.839 -2.740 1.00 0.00 C ATOM 0 H PHE A 31 4.916 7.661 1.334 1.00 0.00 H new ATOM 0 HA PHE A 31 2.198 8.858 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.173 5.976 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.616 6.323 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.533 7.236 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.218 6.264 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.492 7.320 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.260 6.348 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.108 6.876 -3.721 1.00 0.00 H new ATOM 446 N PHE A 32 2.093 8.585 3.879 1.00 0.00 N ATOM 447 CA PHE A 32 2.124 8.610 5.332 1.00 0.00 C ATOM 448 C PHE A 32 0.869 7.960 5.918 1.00 0.00 C ATOM 449 O PHE A 32 -0.206 8.558 5.909 1.00 0.00 O ATOM 450 CB PHE A 32 2.166 10.081 5.753 1.00 0.00 C ATOM 451 CG PHE A 32 3.559 10.710 5.676 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.085 11.053 4.470 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.270 10.927 6.815 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.378 11.637 4.400 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.563 11.511 6.745 1.00 0.00 C ATOM 456 CZ PHE A 32 6.089 11.854 5.538 1.00 0.00 C ATOM 0 H PHE A 32 1.290 9.056 3.461 1.00 0.00 H new ATOM 0 HA PHE A 32 2.990 8.058 5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.486 10.650 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.796 10.167 6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.520 10.882 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.851 10.655 7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.796 11.909 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.128 11.683 7.649 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.072 12.299 5.484 1.00 0.00 H new ATOM 466 N LEU A 33 1.048 6.745 6.415 1.00 0.00 N ATOM 467 CA LEU A 33 -0.056 6.007 7.005 1.00 0.00 C ATOM 468 C LEU A 33 0.409 5.358 8.310 1.00 0.00 C ATOM 469 O LEU A 33 1.608 5.268 8.570 1.00 0.00 O ATOM 470 CB LEU A 33 -0.636 5.014 5.996 1.00 0.00 C ATOM 471 CG LEU A 33 0.272 3.846 5.607 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.648 4.346 5.161 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.373 2.827 6.744 1.00 0.00 C ATOM 0 H LEU A 33 1.941 6.253 6.421 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.873 6.682 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.561 4.608 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.901 5.560 5.090 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.176 3.334 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.274 3.496 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.535 5.003 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.117 4.896 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.024 2.007 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.786 3.310 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.619 2.437 6.972 1.00 0.00 H new ATOM 485 N ALA A 34 -0.564 4.921 9.096 1.00 0.00 N ATOM 486 CA ALA A 34 -0.269 4.283 10.367 1.00 0.00 C ATOM 487 C ALA A 34 0.889 3.300 10.183 1.00 0.00 C ATOM 488 O ALA A 34 0.890 2.505 9.245 1.00 0.00 O ATOM 489 CB ALA A 34 -1.531 3.602 10.901 1.00 0.00 C ATOM 0 H ALA A 34 -1.557 4.996 8.877 1.00 0.00 H new ATOM 0 HA ALA A 34 0.040 5.023 11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.310 3.123 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.314 4.347 11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.869 2.851 10.187 1.00 0.00 H new ATOM 495 N GLU A 35 1.848 3.388 11.094 1.00 0.00 N ATOM 496 CA GLU A 35 3.010 2.517 11.044 1.00 0.00 C ATOM 497 C GLU A 35 2.611 1.080 11.385 1.00 0.00 C ATOM 498 O GLU A 35 3.382 0.148 11.163 1.00 0.00 O ATOM 499 CB GLU A 35 4.111 3.017 11.980 1.00 0.00 C ATOM 500 CG GLU A 35 3.724 2.804 13.445 1.00 0.00 C ATOM 501 CD GLU A 35 4.963 2.792 14.343 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.614 3.856 14.425 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.230 1.720 14.927 1.00 0.00 O ATOM 0 H GLU A 35 1.844 4.049 11.871 1.00 0.00 H new ATOM 0 HA GLU A 35 3.407 2.532 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.042 2.491 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.294 4.076 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.046 3.596 13.765 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.186 1.862 13.549 1.00 0.00 H new ATOM 510 N ASN A 36 1.406 0.945 11.919 1.00 0.00 N ATOM 511 CA ASN A 36 0.895 -0.363 12.294 1.00 0.00 C ATOM 512 C ASN A 36 -0.355 -0.673 11.468 1.00 0.00 C ATOM 513 O ASN A 36 -1.319 -1.238 11.982 1.00 0.00 O ATOM 514 CB ASN A 36 0.505 -0.399 13.773 1.00 0.00 C ATOM 515 CG ASN A 36 -0.257 0.867 14.170 1.00 0.00 C ATOM 516 OD1 ASN A 36 0.140 1.981 13.870 1.00 0.00 O ATOM 517 ND2 ASN A 36 -1.369 0.634 14.861 1.00 0.00 N ATOM 0 H ASN A 36 0.768 1.720 12.101 1.00 0.00 H new ATOM 0 HA ASN A 36 1.680 -1.097 12.110 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.112 -1.276 13.969 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.401 -0.496 14.387 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.948 1.413 15.174 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.643 -0.324 15.078 1.00 0.00 H new ATOM 524 N SER A 37 -0.299 -0.289 10.201 1.00 0.00 N ATOM 525 CA SER A 37 -1.414 -0.519 9.299 1.00 0.00 C ATOM 526 C SER A 37 -1.099 -1.689 8.364 1.00 0.00 C ATOM 527 O SER A 37 -0.187 -1.603 7.543 1.00 0.00 O ATOM 528 CB SER A 37 -1.735 0.738 8.487 1.00 0.00 C ATOM 529 OG SER A 37 -2.980 1.316 8.867 1.00 0.00 O ATOM 0 H SER A 37 0.502 0.180 9.778 1.00 0.00 H new ATOM 0 HA SER A 37 -2.291 -0.766 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.939 1.470 8.623 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.760 0.488 7.426 1.00 0.00 H new ATOM 0 HG SER A 37 -3.147 2.117 8.327 1.00 0.00 H new ATOM 535 N ASN A 38 -1.871 -2.754 8.520 1.00 0.00 N ATOM 536 CA ASN A 38 -1.685 -3.939 7.701 1.00 0.00 C ATOM 537 C ASN A 38 -1.362 -3.517 6.266 1.00 0.00 C ATOM 538 O ASN A 38 -1.785 -2.452 5.819 1.00 0.00 O ATOM 539 CB ASN A 38 -2.956 -4.791 7.667 1.00 0.00 C ATOM 540 CG ASN A 38 -4.204 -3.910 7.584 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.449 -3.054 8.419 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.978 -4.165 6.533 1.00 0.00 N ATOM 0 H ASN A 38 -2.627 -2.821 9.202 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.871 -4.522 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.924 -5.464 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.005 -5.414 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.834 -3.630 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.715 -4.895 5.871 1.00 0.00 H new ATOM 549 N VAL A 39 -0.614 -4.373 5.585 1.00 0.00 N ATOM 550 CA VAL A 39 -0.229 -4.101 4.211 1.00 0.00 C ATOM 551 C VAL A 39 -1.468 -3.697 3.409 1.00 0.00 C ATOM 552 O VAL A 39 -1.435 -2.725 2.656 1.00 0.00 O ATOM 553 CB VAL A 39 0.496 -5.313 3.621 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.516 -5.250 2.093 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.914 -5.430 4.184 1.00 0.00 C ATOM 0 H VAL A 39 -0.265 -5.255 5.959 1.00 0.00 H new ATOM 0 HA VAL A 39 0.472 -3.267 4.169 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.055 -6.207 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.037 -6.123 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.507 -5.237 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.032 -4.345 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.408 -6.299 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.479 -4.531 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.867 -5.544 5.267 1.00 0.00 H new ATOM 565 N ARG A 40 -2.532 -4.465 3.597 1.00 0.00 N ATOM 566 CA ARG A 40 -3.779 -4.199 2.901 1.00 0.00 C ATOM 567 C ARG A 40 -4.108 -2.706 2.952 1.00 0.00 C ATOM 568 O ARG A 40 -4.101 -2.030 1.925 1.00 0.00 O ATOM 569 CB ARG A 40 -4.934 -4.991 3.519 1.00 0.00 C ATOM 570 CG ARG A 40 -5.826 -5.597 2.433 1.00 0.00 C ATOM 571 CD ARG A 40 -7.292 -5.609 2.871 1.00 0.00 C ATOM 572 NE ARG A 40 -7.940 -6.865 2.432 1.00 0.00 N ATOM 573 CZ ARG A 40 -7.593 -8.082 2.870 1.00 0.00 C ATOM 574 NH1 ARG A 40 -6.601 -8.217 3.760 1.00 0.00 N ATOM 575 NH2 ARG A 40 -8.237 -9.166 2.416 1.00 0.00 N ATOM 0 H ARG A 40 -2.556 -5.271 4.221 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.653 -4.511 1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.538 -5.784 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.527 -4.337 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.723 -5.024 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.500 -6.614 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.357 -5.516 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.815 -4.752 2.445 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.699 -6.800 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.109 -7.392 4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.337 -9.144 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.991 -9.064 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.973 -10.093 2.749 1.00 0.00 H new ATOM 589 N ARG A 41 -4.388 -2.235 4.159 1.00 0.00 N ATOM 590 CA ARG A 41 -4.720 -0.835 4.357 1.00 0.00 C ATOM 591 C ARG A 41 -3.780 0.054 3.539 1.00 0.00 C ATOM 592 O ARG A 41 -4.234 0.881 2.749 1.00 0.00 O ATOM 593 CB ARG A 41 -4.618 -0.448 5.834 1.00 0.00 C ATOM 594 CG ARG A 41 -5.871 -0.876 6.600 1.00 0.00 C ATOM 595 CD ARG A 41 -6.259 0.172 7.646 1.00 0.00 C ATOM 596 NE ARG A 41 -7.451 -0.280 8.397 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.426 -1.223 9.349 1.00 0.00 C ATOM 598 NH1 ARG A 41 -6.270 -1.820 9.671 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.556 -1.569 9.979 1.00 0.00 N ATOM 0 H ARG A 41 -4.392 -2.799 5.009 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.747 -0.688 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.739 -0.916 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.483 0.630 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.696 -1.022 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.693 -1.834 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.428 0.338 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.466 1.125 7.159 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.348 0.153 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.409 -1.557 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.251 -2.538 10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.436 -1.115 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.537 -2.287 10.703 1.00 0.00 H new ATOM 613 N PHE A 42 -2.489 -0.147 3.755 1.00 0.00 N ATOM 614 CA PHE A 42 -1.482 0.625 3.048 1.00 0.00 C ATOM 615 C PHE A 42 -1.751 0.628 1.542 1.00 0.00 C ATOM 616 O PHE A 42 -1.618 1.659 0.885 1.00 0.00 O ATOM 617 CB PHE A 42 -0.134 -0.048 3.312 1.00 0.00 C ATOM 618 CG PHE A 42 1.074 0.785 2.878 1.00 0.00 C ATOM 619 CD1 PHE A 42 0.893 2.045 2.399 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.327 0.265 2.971 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.014 2.818 1.996 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.448 1.039 2.568 1.00 0.00 C ATOM 623 CZ PHE A 42 3.268 2.299 2.089 1.00 0.00 C ATOM 0 H PHE A 42 -2.117 -0.834 4.410 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.495 1.658 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.050 -0.264 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.109 -1.005 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.102 2.457 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.470 -0.736 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.871 3.819 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.443 0.627 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.120 2.887 1.783 1.00 0.00 H new ATOM 633 N LYS A 43 -2.125 -0.539 1.038 1.00 0.00 N ATOM 634 CA LYS A 43 -2.414 -0.685 -0.379 1.00 0.00 C ATOM 635 C LYS A 43 -3.535 0.282 -0.768 1.00 0.00 C ATOM 636 O LYS A 43 -3.403 1.035 -1.732 1.00 0.00 O ATOM 637 CB LYS A 43 -2.718 -2.146 -0.716 1.00 0.00 C ATOM 638 CG LYS A 43 -1.511 -3.039 -0.422 1.00 0.00 C ATOM 639 CD LYS A 43 -1.946 -4.482 -0.164 1.00 0.00 C ATOM 640 CE LYS A 43 -1.426 -5.416 -1.258 1.00 0.00 C ATOM 641 NZ LYS A 43 -2.553 -6.075 -1.956 1.00 0.00 N ATOM 0 H LYS A 43 -2.235 -1.393 1.586 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.541 -0.419 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.576 -2.486 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.990 -2.231 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.819 -3.009 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.974 -2.657 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.573 -4.810 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.034 -4.536 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.828 -4.851 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.771 -6.169 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.337 -6.150 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.697 -7.026 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.418 -5.512 -1.827 1.00 0.00 H new ATOM 655 N LYS A 44 -4.612 0.230 0.002 1.00 0.00 N ATOM 656 CA LYS A 44 -5.755 1.091 -0.251 1.00 0.00 C ATOM 657 C LYS A 44 -5.264 2.513 -0.532 1.00 0.00 C ATOM 658 O LYS A 44 -5.661 3.125 -1.522 1.00 0.00 O ATOM 659 CB LYS A 44 -6.756 1.004 0.902 1.00 0.00 C ATOM 660 CG LYS A 44 -7.778 -0.108 0.658 1.00 0.00 C ATOM 661 CD LYS A 44 -8.712 -0.269 1.859 1.00 0.00 C ATOM 662 CE LYS A 44 -9.471 -1.596 1.790 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.664 -1.556 2.665 1.00 0.00 N ATOM 0 H LYS A 44 -4.717 -0.395 0.801 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.294 0.758 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.225 0.817 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.271 1.958 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.362 0.120 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.260 -1.048 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.134 -0.224 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.421 0.558 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.773 -1.796 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.816 -2.413 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.168 -2.464 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.368 -1.387 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.295 -0.789 2.356 1.00 0.00 H new ATOM 677 N GLN A 45 -4.407 2.996 0.356 1.00 0.00 N ATOM 678 CA GLN A 45 -3.858 4.333 0.215 1.00 0.00 C ATOM 679 C GLN A 45 -3.347 4.550 -1.211 1.00 0.00 C ATOM 680 O GLN A 45 -3.590 5.597 -1.809 1.00 0.00 O ATOM 681 CB GLN A 45 -2.749 4.581 1.239 1.00 0.00 C ATOM 682 CG GLN A 45 -3.089 5.770 2.139 1.00 0.00 C ATOM 683 CD GLN A 45 -2.176 6.961 1.844 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.159 7.509 0.753 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.418 7.331 2.873 1.00 0.00 N ATOM 0 H GLN A 45 -4.080 2.485 1.176 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.653 5.053 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.606 3.689 1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.808 4.769 0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.129 6.059 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.987 5.480 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.481 6.830 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.774 8.116 2.776 1.00 0.00 H new ATOM 694 N ILE A 46 -2.647 3.543 -1.714 1.00 0.00 N ATOM 695 CA ILE A 46 -2.100 3.611 -3.058 1.00 0.00 C ATOM 696 C ILE A 46 -3.246 3.611 -4.072 1.00 0.00 C ATOM 697 O ILE A 46 -3.295 4.463 -4.958 1.00 0.00 O ATOM 698 CB ILE A 46 -1.084 2.488 -3.279 1.00 0.00 C ATOM 699 CG1 ILE A 46 0.076 2.595 -2.287 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.597 2.467 -4.730 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.619 1.211 -1.927 1.00 0.00 C ATOM 0 H ILE A 46 -2.447 2.676 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.550 4.541 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.581 1.536 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.873 3.201 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.259 3.104 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.124 1.660 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.445 2.307 -5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.123 3.419 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.443 1.316 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.174 0.616 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.976 0.714 -2.829 1.00 0.00 H new ATOM 713 N SER A 47 -4.139 2.646 -3.907 1.00 0.00 N ATOM 714 CA SER A 47 -5.281 2.525 -4.797 1.00 0.00 C ATOM 715 C SER A 47 -6.029 3.858 -4.874 1.00 0.00 C ATOM 716 O SER A 47 -6.556 4.218 -5.925 1.00 0.00 O ATOM 717 CB SER A 47 -6.225 1.413 -4.334 1.00 0.00 C ATOM 718 OG SER A 47 -7.038 1.825 -3.239 1.00 0.00 O ATOM 0 H SER A 47 -4.095 1.941 -3.171 1.00 0.00 H new ATOM 0 HA SER A 47 -4.914 2.264 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.862 1.109 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.641 0.539 -4.044 1.00 0.00 H new ATOM 0 HG SER A 47 -6.515 2.400 -2.642 1.00 0.00 H new ATOM 724 N LYS A 48 -6.051 4.553 -3.746 1.00 0.00 N ATOM 725 CA LYS A 48 -6.725 5.838 -3.672 1.00 0.00 C ATOM 726 C LYS A 48 -6.109 6.792 -4.697 1.00 0.00 C ATOM 727 O LYS A 48 -6.818 7.359 -5.528 1.00 0.00 O ATOM 728 CB LYS A 48 -6.700 6.375 -2.240 1.00 0.00 C ATOM 729 CG LYS A 48 -7.511 5.477 -1.303 1.00 0.00 C ATOM 730 CD LYS A 48 -8.642 6.262 -0.634 1.00 0.00 C ATOM 731 CE LYS A 48 -10.004 5.841 -1.189 1.00 0.00 C ATOM 732 NZ LYS A 48 -10.842 5.256 -0.118 1.00 0.00 N ATOM 0 H LYS A 48 -5.613 4.250 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.779 5.730 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.670 6.437 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.105 7.387 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.927 4.641 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.856 5.055 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.617 6.096 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.494 7.330 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.509 6.704 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.868 5.115 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.763 4.976 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.366 4.420 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.987 5.960 0.633 1.00 0.00 H new ATOM 746 N TYR A 49 -4.796 6.940 -4.606 1.00 0.00 N ATOM 747 CA TYR A 49 -4.077 7.816 -5.515 1.00 0.00 C ATOM 748 C TYR A 49 -3.872 7.145 -6.875 1.00 0.00 C ATOM 749 O TYR A 49 -4.466 7.556 -7.870 1.00 0.00 O ATOM 750 CB TYR A 49 -2.711 8.063 -4.871 1.00 0.00 C ATOM 751 CG TYR A 49 -1.741 8.852 -5.752 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.040 10.148 -6.120 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.566 8.267 -6.180 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.127 10.891 -6.949 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.347 9.010 -7.010 1.00 0.00 C ATOM 756 CZ TYR A 49 0.022 10.285 -7.353 1.00 0.00 C ATOM 757 OH TYR A 49 0.884 10.986 -8.137 1.00 0.00 O ATOM 0 H TYR A 49 -4.211 6.468 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.634 8.738 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.855 8.601 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.260 7.103 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.960 10.605 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.332 7.253 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.349 11.906 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.269 8.564 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 49 1.662 10.428 -8.348 1.00 0.00 H new ATOM 767 N LEU A 50 -3.028 6.123 -6.874 1.00 0.00 N ATOM 768 CA LEU A 50 -2.737 5.391 -8.095 1.00 0.00 C ATOM 769 C LEU A 50 -4.031 5.194 -8.887 1.00 0.00 C ATOM 770 O LEU A 50 -4.012 5.158 -10.116 1.00 0.00 O ATOM 771 CB LEU A 50 -2.006 4.086 -7.776 1.00 0.00 C ATOM 772 CG LEU A 50 -0.477 4.146 -7.816 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.075 4.875 -6.589 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.123 2.747 -7.969 1.00 0.00 C ATOM 0 H LEU A 50 -2.536 5.785 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.059 5.962 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.311 3.755 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.338 3.325 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.181 4.721 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.163 4.904 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.314 5.893 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.230 4.348 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.210 2.818 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.180 2.127 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.233 2.298 -8.896 1.00 0.00 H new ATOM 786 N HIS A 51 -5.125 5.070 -8.149 1.00 0.00 N ATOM 787 CA HIS A 51 -6.426 4.877 -8.767 1.00 0.00 C ATOM 788 C HIS A 51 -6.456 3.528 -9.489 1.00 0.00 C ATOM 789 O HIS A 51 -6.872 3.447 -10.644 1.00 0.00 O ATOM 790 CB HIS A 51 -6.770 6.050 -9.688 1.00 0.00 C ATOM 791 CG HIS A 51 -7.166 7.310 -8.956 1.00 0.00 C ATOM 792 ND1 HIS A 51 -8.295 7.390 -8.159 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.572 8.537 -8.907 1.00 0.00 C ATOM 794 CE1 HIS A 51 -8.367 8.615 -7.660 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.299 9.324 -8.125 1.00 0.00 N ATOM 0 H HIS A 51 -5.137 5.099 -7.129 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.198 4.856 -7.998 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.910 6.265 -10.322 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.586 5.754 -10.348 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.664 8.820 -9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.137 8.987 -7.000 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.093 10.299 -7.907 1.00 0.00 H new ATOM 803 N CYS A 52 -6.010 2.503 -8.778 1.00 0.00 N ATOM 804 CA CYS A 52 -5.981 1.162 -9.336 1.00 0.00 C ATOM 805 C CYS A 52 -6.427 0.180 -8.251 1.00 0.00 C ATOM 806 O CYS A 52 -6.090 0.349 -7.079 1.00 0.00 O ATOM 807 CB CYS A 52 -4.599 0.810 -9.891 1.00 0.00 C ATOM 808 SG CYS A 52 -4.002 2.154 -10.980 1.00 0.00 S ATOM 0 H CYS A 52 -5.666 2.574 -7.820 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.666 1.103 -10.182 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.897 0.656 -9.071 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.649 -0.126 -10.448 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.104 3.292 -10.360 1.00 0.00 H new ATOM 814 N ASN A 53 -7.177 -0.825 -8.678 1.00 0.00 N ATOM 815 CA ASN A 53 -7.672 -1.834 -7.757 1.00 0.00 C ATOM 816 C ASN A 53 -6.520 -2.325 -6.878 1.00 0.00 C ATOM 817 O ASN A 53 -5.385 -2.435 -7.339 1.00 0.00 O ATOM 818 CB ASN A 53 -8.237 -3.039 -8.512 1.00 0.00 C ATOM 819 CG ASN A 53 -9.763 -3.083 -8.411 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.450 -2.087 -8.569 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.252 -4.289 -8.140 1.00 0.00 N ATOM 0 H ASN A 53 -7.454 -0.962 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.461 -1.383 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.940 -2.988 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.815 -3.958 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.259 -4.423 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.620 -5.080 -8.020 1.00 0.00 H new ATOM 828 N ALA A 54 -6.852 -2.606 -5.626 1.00 0.00 N ATOM 829 CA ALA A 54 -5.860 -3.082 -4.678 1.00 0.00 C ATOM 830 C ALA A 54 -5.570 -4.560 -4.948 1.00 0.00 C ATOM 831 O ALA A 54 -4.540 -5.082 -4.525 1.00 0.00 O ATOM 832 CB ALA A 54 -6.357 -2.837 -3.252 1.00 0.00 C ATOM 0 H ALA A 54 -7.794 -2.513 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.924 -2.535 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.612 -3.194 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.520 -1.770 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.294 -3.372 -3.096 1.00 0.00 H new ATOM 838 N ASP A 55 -6.497 -5.193 -5.652 1.00 0.00 N ATOM 839 CA ASP A 55 -6.355 -6.600 -5.984 1.00 0.00 C ATOM 840 C ASP A 55 -5.145 -6.783 -6.904 1.00 0.00 C ATOM 841 O ASP A 55 -4.607 -7.883 -7.016 1.00 0.00 O ATOM 842 CB ASP A 55 -7.591 -7.120 -6.720 1.00 0.00 C ATOM 843 CG ASP A 55 -7.875 -8.612 -6.532 1.00 0.00 C ATOM 844 OD1 ASP A 55 -6.986 -9.410 -6.900 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.975 -8.920 -6.025 1.00 0.00 O ATOM 0 H ASP A 55 -7.350 -4.757 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.229 -7.155 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.460 -6.555 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.473 -6.919 -7.785 1.00 0.00 H new ATOM 850 N ARG A 56 -4.753 -5.687 -7.538 1.00 0.00 N ATOM 851 CA ARG A 56 -3.618 -5.713 -8.444 1.00 0.00 C ATOM 852 C ARG A 56 -2.418 -5.003 -7.811 1.00 0.00 C ATOM 853 O ARG A 56 -1.364 -4.884 -8.434 1.00 0.00 O ATOM 854 CB ARG A 56 -3.958 -5.036 -9.773 1.00 0.00 C ATOM 855 CG ARG A 56 -5.263 -5.588 -10.350 1.00 0.00 C ATOM 856 CD ARG A 56 -4.997 -6.795 -11.252 1.00 0.00 C ATOM 857 NE ARG A 56 -5.941 -6.794 -12.392 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.219 -7.187 -12.309 1.00 0.00 C ATOM 859 NH1 ARG A 56 -7.714 -7.615 -11.140 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.003 -7.152 -13.396 1.00 0.00 N ATOM 0 H ARG A 56 -5.201 -4.776 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.369 -6.757 -8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.048 -3.960 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.147 -5.193 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.930 -5.877 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.771 -4.809 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.971 -6.766 -11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.105 -7.717 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.597 -6.474 -13.297 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.118 -7.642 -10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.687 -7.914 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.626 -6.826 -14.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.976 -7.451 -13.333 1.00 0.00 H new ATOM 874 N LEU A 57 -2.619 -4.551 -6.582 1.00 0.00 N ATOM 875 CA LEU A 57 -1.568 -3.857 -5.859 1.00 0.00 C ATOM 876 C LEU A 57 -0.777 -4.867 -5.024 1.00 0.00 C ATOM 877 O LEU A 57 -1.351 -5.595 -4.217 1.00 0.00 O ATOM 878 CB LEU A 57 -2.152 -2.705 -5.039 1.00 0.00 C ATOM 879 CG LEU A 57 -2.674 -1.510 -5.839 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.417 -0.526 -4.932 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.542 -0.832 -6.614 1.00 0.00 C ATOM 0 H LEU A 57 -3.495 -4.652 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.866 -3.398 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.969 -3.095 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.385 -2.349 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.392 -1.877 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.778 0.314 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.263 -1.030 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.740 -0.161 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.940 0.014 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.783 -0.480 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.095 -1.547 -7.305 1.00 0.00 H new ATOM 893 N VAL A 58 0.529 -4.878 -5.249 1.00 0.00 N ATOM 894 CA VAL A 58 1.405 -5.786 -4.528 1.00 0.00 C ATOM 895 C VAL A 58 2.415 -4.975 -3.714 1.00 0.00 C ATOM 896 O VAL A 58 3.091 -4.099 -4.252 1.00 0.00 O ATOM 897 CB VAL A 58 2.067 -6.760 -5.504 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.859 -7.833 -4.755 1.00 0.00 C ATOM 899 CG2 VAL A 58 1.031 -7.392 -6.435 1.00 0.00 C ATOM 0 H VAL A 58 1.001 -4.273 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 58 0.833 -6.391 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 58 2.768 -6.195 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.319 -8.512 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.635 -7.359 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.187 -8.393 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.528 -8.080 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.295 -7.936 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.531 -6.610 -7.007 1.00 0.00 H new ATOM 909 N LEU A 59 2.487 -5.295 -2.430 1.00 0.00 N ATOM 910 CA LEU A 59 3.403 -4.607 -1.537 1.00 0.00 C ATOM 911 C LEU A 59 4.769 -5.294 -1.587 1.00 0.00 C ATOM 912 O LEU A 59 4.869 -6.501 -1.368 1.00 0.00 O ATOM 913 CB LEU A 59 2.812 -4.514 -0.129 1.00 0.00 C ATOM 914 CG LEU A 59 2.749 -3.113 0.481 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.153 -2.543 0.692 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.875 -2.185 -0.365 1.00 0.00 C ATOM 0 H LEU A 59 1.925 -6.022 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 59 3.551 -3.577 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.802 -4.924 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.399 -5.151 0.533 1.00 0.00 H new ATOM 0 HG LEU A 59 2.281 -3.189 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.079 -1.546 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.712 -3.192 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.669 -2.484 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.847 -1.195 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.291 -2.110 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.864 -2.588 -0.420 1.00 0.00 H new ATOM 928 N ILE A 60 5.787 -4.497 -1.876 1.00 0.00 N ATOM 929 CA ILE A 60 7.143 -5.014 -1.956 1.00 0.00 C ATOM 930 C ILE A 60 8.098 -4.041 -1.263 1.00 0.00 C ATOM 931 O ILE A 60 8.338 -2.942 -1.759 1.00 0.00 O ATOM 932 CB ILE A 60 7.517 -5.312 -3.410 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.577 -6.357 -4.015 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.985 -5.727 -3.524 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.625 -5.717 -5.028 1.00 0.00 C ATOM 0 H ILE A 60 5.700 -3.497 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 60 7.220 -5.965 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 60 7.395 -4.396 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.161 -7.138 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.002 -6.836 -3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.225 -5.933 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.621 -4.921 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.157 -6.623 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.968 -6.481 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.026 -4.953 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.202 -5.260 -5.831 1.00 0.00 H new ATOM 947 N PHE A 61 8.616 -4.480 -0.125 1.00 0.00 N ATOM 948 CA PHE A 61 9.539 -3.661 0.642 1.00 0.00 C ATOM 949 C PHE A 61 10.894 -4.355 0.790 1.00 0.00 C ATOM 950 O PHE A 61 10.985 -5.428 1.384 1.00 0.00 O ATOM 951 CB PHE A 61 8.922 -3.472 2.030 1.00 0.00 C ATOM 952 CG PHE A 61 9.942 -3.163 3.127 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.315 -1.877 3.366 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.476 -4.174 3.864 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.262 -1.590 4.385 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.422 -3.887 4.883 1.00 0.00 C ATOM 957 CZ PHE A 61 11.796 -2.601 5.122 1.00 0.00 C ATOM 0 H PHE A 61 8.414 -5.392 0.284 1.00 0.00 H new ATOM 0 HA PHE A 61 9.701 -2.709 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.195 -2.661 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.376 -4.376 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.891 -1.074 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.180 -5.195 3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.558 -0.569 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.845 -4.690 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.516 -2.383 5.896 1.00 0.00 H new ATOM 967 N THR A 62 11.915 -3.713 0.240 1.00 0.00 N ATOM 968 CA THR A 62 13.261 -4.255 0.304 1.00 0.00 C ATOM 969 C THR A 62 13.445 -5.352 -0.747 1.00 0.00 C ATOM 970 O THR A 62 14.468 -6.034 -0.765 1.00 0.00 O ATOM 971 CB THR A 62 13.511 -4.736 1.735 1.00 0.00 C ATOM 972 OG1 THR A 62 14.851 -4.335 2.007 1.00 0.00 O ATOM 973 CG2 THR A 62 13.550 -6.262 1.841 1.00 0.00 C ATOM 0 H THR A 62 11.836 -2.823 -0.252 1.00 0.00 H new ATOM 0 HA THR A 62 14.005 -3.494 0.068 1.00 0.00 H new ATOM 0 HB THR A 62 12.732 -4.346 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.095 -4.606 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.730 -6.550 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.597 -6.674 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.351 -6.650 1.212 1.00 0.00 H new ATOM 981 N GLY A 63 12.437 -5.488 -1.596 1.00 0.00 N ATOM 982 CA GLY A 63 12.474 -6.491 -2.647 1.00 0.00 C ATOM 983 C GLY A 63 11.745 -7.765 -2.215 1.00 0.00 C ATOM 984 O GLY A 63 11.773 -8.771 -2.923 1.00 0.00 O ATOM 0 H GLY A 63 11.590 -4.920 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.013 -6.093 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.509 -6.726 -2.894 1.00 0.00 H new ATOM 988 N LYS A 64 11.111 -7.681 -1.055 1.00 0.00 N ATOM 989 CA LYS A 64 10.376 -8.815 -0.520 1.00 0.00 C ATOM 990 C LYS A 64 8.880 -8.495 -0.522 1.00 0.00 C ATOM 991 O LYS A 64 8.461 -7.465 0.004 1.00 0.00 O ATOM 992 CB LYS A 64 10.919 -9.204 0.857 1.00 0.00 C ATOM 993 CG LYS A 64 12.289 -9.875 0.736 1.00 0.00 C ATOM 994 CD LYS A 64 12.150 -11.397 0.669 1.00 0.00 C ATOM 995 CE LYS A 64 13.402 -12.036 0.064 1.00 0.00 C ATOM 996 NZ LYS A 64 13.836 -13.196 0.875 1.00 0.00 N ATOM 0 H LYS A 64 11.091 -6.845 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 64 10.516 -9.692 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.999 -8.316 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.221 -9.881 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.798 -9.513 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.909 -9.600 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.982 -11.795 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.278 -11.660 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.197 -12.356 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.204 -11.300 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.687 -13.618 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.051 -12.882 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.075 -13.905 0.902 1.00 0.00 H new ATOM 1010 N ILE A 65 8.116 -9.396 -1.121 1.00 0.00 N ATOM 1011 CA ILE A 65 6.675 -9.223 -1.199 1.00 0.00 C ATOM 1012 C ILE A 65 6.065 -9.429 0.188 1.00 0.00 C ATOM 1013 O ILE A 65 6.285 -10.461 0.820 1.00 0.00 O ATOM 1014 CB ILE A 65 6.083 -10.137 -2.274 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.533 -9.705 -3.671 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.559 -10.204 -2.158 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.147 -10.879 -4.436 1.00 0.00 C ATOM 0 H ILE A 65 8.467 -10.248 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 65 6.429 -8.207 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 65 6.463 -11.146 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.682 -9.310 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.262 -8.899 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.164 -10.860 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.286 -10.595 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.141 -9.205 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.459 -10.545 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.013 -11.256 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.408 -11.674 -4.537 1.00 0.00 H new ATOM 1029 N LEU A 66 5.309 -8.431 0.622 1.00 0.00 N ATOM 1030 CA LEU A 66 4.666 -8.490 1.923 1.00 0.00 C ATOM 1031 C LEU A 66 3.338 -9.239 1.797 1.00 0.00 C ATOM 1032 O LEU A 66 3.135 -9.994 0.847 1.00 0.00 O ATOM 1033 CB LEU A 66 4.526 -7.086 2.516 1.00 0.00 C ATOM 1034 CG LEU A 66 5.733 -6.162 2.343 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.371 -4.716 2.690 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.928 -6.664 3.156 1.00 0.00 C ATOM 0 H LEU A 66 5.128 -7.577 0.095 1.00 0.00 H new ATOM 0 HA LEU A 66 5.282 -9.049 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.658 -6.606 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.317 -7.182 3.581 1.00 0.00 H new ATOM 0 HG LEU A 66 6.027 -6.177 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.247 -4.080 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.572 -4.373 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.036 -4.663 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.773 -5.990 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.661 -6.697 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.202 -7.664 2.820 1.00 0.00 H new ATOM 1048 N ARG A 67 2.468 -9.004 2.768 1.00 0.00 N ATOM 1049 CA ARG A 67 1.165 -9.647 2.778 1.00 0.00 C ATOM 1050 C ARG A 67 0.154 -8.788 3.539 1.00 0.00 C ATOM 1051 O ARG A 67 0.479 -8.213 4.577 1.00 0.00 O ATOM 1052 CB ARG A 67 1.239 -11.031 3.427 1.00 0.00 C ATOM 1053 CG ARG A 67 2.079 -11.990 2.581 1.00 0.00 C ATOM 1054 CD ARG A 67 1.387 -12.297 1.251 1.00 0.00 C ATOM 1055 NE ARG A 67 1.928 -13.549 0.677 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.614 -14.015 -0.540 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.760 -13.335 -1.318 1.00 0.00 N ATOM 1058 NH2 ARG A 67 2.154 -15.160 -0.979 1.00 0.00 N ATOM 0 H ARG A 67 2.640 -8.377 3.554 1.00 0.00 H new ATOM 0 HA ARG A 67 0.844 -9.760 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.671 -10.946 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.233 -11.434 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.059 -11.551 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.245 -12.916 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.312 -12.392 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.538 -11.473 0.554 1.00 0.00 H new ATOM 0 HE ARG A 67 2.581 -14.091 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.349 -12.463 -0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.521 -13.689 -2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.804 -15.677 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.915 -15.514 -1.905 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.052 -8.727 2.994 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.113 -7.947 3.609 1.00 0.00 C ATOM 1074 C ASP A 68 -2.175 -8.268 5.103 1.00 0.00 C ATOM 1075 O ASP A 68 -2.346 -7.371 5.928 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.472 -8.286 2.995 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.790 -9.780 2.913 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.283 -10.417 1.966 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.534 -10.251 3.801 1.00 0.00 O ATOM 0 H ASP A 68 -1.318 -9.205 2.133 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.896 -6.892 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.250 -7.796 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.515 -7.865 1.990 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.033 -9.550 5.407 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.072 -10.000 6.788 1.00 0.00 C ATOM 1086 C GLN A 69 -0.816 -9.539 7.531 1.00 0.00 C ATOM 1087 O GLN A 69 -0.841 -9.362 8.748 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.228 -11.520 6.864 1.00 0.00 C ATOM 1089 CG GLN A 69 -0.952 -12.226 6.401 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.015 -13.726 6.700 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.324 -14.153 7.800 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -0.707 -14.498 5.662 1.00 0.00 N ATOM 0 H GLN A 69 -1.891 -10.291 4.721 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.941 -9.554 7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.460 -11.815 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.067 -11.834 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.814 -12.070 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.088 -11.788 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.457 -14.075 4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.721 -15.513 5.760 1.00 0.00 H new ATOM 1101 N ASP A 70 0.252 -9.359 6.768 1.00 0.00 N ATOM 1102 CA ASP A 70 1.514 -8.922 7.340 1.00 0.00 C ATOM 1103 C ASP A 70 1.457 -7.416 7.602 1.00 0.00 C ATOM 1104 O ASP A 70 0.930 -6.660 6.787 1.00 0.00 O ATOM 1105 CB ASP A 70 2.675 -9.191 6.380 1.00 0.00 C ATOM 1106 CG ASP A 70 3.243 -10.611 6.434 1.00 0.00 C ATOM 1107 OD1 ASP A 70 3.107 -11.236 7.508 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.801 -11.038 5.401 1.00 0.00 O ATOM 0 H ASP A 70 0.269 -9.508 5.759 1.00 0.00 H new ATOM 0 HA ASP A 70 1.674 -9.475 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.340 -8.988 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.478 -8.486 6.598 1.00 0.00 H new ATOM 1113 N ILE A 71 2.006 -7.025 8.743 1.00 0.00 N ATOM 1114 CA ILE A 71 2.024 -5.622 9.122 1.00 0.00 C ATOM 1115 C ILE A 71 3.344 -4.994 8.673 1.00 0.00 C ATOM 1116 O ILE A 71 4.376 -5.662 8.646 1.00 0.00 O ATOM 1117 CB ILE A 71 1.747 -5.469 10.619 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.286 -5.787 10.942 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.154 -4.079 11.112 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.128 -7.132 10.341 1.00 0.00 C ATOM 0 H ILE A 71 2.441 -7.655 9.417 1.00 0.00 H new ATOM 0 HA ILE A 71 1.225 -5.080 8.616 1.00 0.00 H new ATOM 0 HB ILE A 71 2.360 -6.193 11.156 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.145 -5.809 12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.357 -4.997 10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.947 -3.996 12.179 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.219 -3.928 10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.586 -3.321 10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.171 -7.334 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.009 -7.099 9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.500 -7.923 10.751 1.00 0.00 H new ATOM 1132 N LEU A 72 3.269 -3.715 8.333 1.00 0.00 N ATOM 1133 CA LEU A 72 4.445 -2.989 7.886 1.00 0.00 C ATOM 1134 C LEU A 72 5.600 -3.252 8.855 1.00 0.00 C ATOM 1135 O LEU A 72 6.549 -3.957 8.518 1.00 0.00 O ATOM 1136 CB LEU A 72 4.121 -1.505 7.704 1.00 0.00 C ATOM 1137 CG LEU A 72 2.844 -1.188 6.925 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.699 0.318 6.697 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.793 -1.973 5.612 1.00 0.00 C ATOM 0 H LEU A 72 2.411 -3.163 8.358 1.00 0.00 H new ATOM 0 HA LEU A 72 4.763 -3.345 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.045 -1.047 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.960 -1.030 7.196 1.00 0.00 H new ATOM 0 HG LEU A 72 1.991 -1.506 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.783 0.515 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.657 0.829 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.554 0.684 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.875 -1.729 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.653 -1.708 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.815 -3.042 5.826 1.00 0.00 H new ATOM 1151 N SER A 73 5.480 -2.671 10.040 1.00 0.00 N ATOM 1152 CA SER A 73 6.502 -2.834 11.060 1.00 0.00 C ATOM 1153 C SER A 73 6.853 -4.314 11.217 1.00 0.00 C ATOM 1154 O SER A 73 8.009 -4.702 11.055 1.00 0.00 O ATOM 1155 CB SER A 73 6.041 -2.252 12.398 1.00 0.00 C ATOM 1156 OG SER A 73 6.273 -3.152 13.479 1.00 0.00 O ATOM 0 H SER A 73 4.691 -2.087 10.316 1.00 0.00 H new ATOM 0 HA SER A 73 7.391 -2.289 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.566 -1.316 12.586 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.978 -2.016 12.344 1.00 0.00 H new ATOM 0 HG SER A 73 5.967 -2.744 14.316 1.00 0.00 H new ATOM 1162 N GLN A 74 5.834 -5.101 11.531 1.00 0.00 N ATOM 1163 CA GLN A 74 6.021 -6.531 11.712 1.00 0.00 C ATOM 1164 C GLN A 74 6.975 -7.080 10.649 1.00 0.00 C ATOM 1165 O GLN A 74 7.751 -7.996 10.920 1.00 0.00 O ATOM 1166 CB GLN A 74 4.681 -7.268 11.679 1.00 0.00 C ATOM 1167 CG GLN A 74 3.836 -6.924 12.907 1.00 0.00 C ATOM 1168 CD GLN A 74 2.639 -7.869 13.031 1.00 0.00 C ATOM 1169 OE1 GLN A 74 2.691 -9.031 12.660 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.560 -7.309 13.571 1.00 0.00 N ATOM 0 H GLN A 74 4.877 -4.776 11.665 1.00 0.00 H new ATOM 0 HA GLN A 74 6.466 -6.698 12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.137 -7.001 10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.854 -8.344 11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.450 -6.989 13.805 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.485 -5.895 12.835 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.584 -6.331 13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.709 -7.857 13.696 1.00 0.00 H new ATOM 1179 N ARG A 75 6.887 -6.498 9.463 1.00 0.00 N ATOM 1180 CA ARG A 75 7.732 -6.918 8.358 1.00 0.00 C ATOM 1181 C ARG A 75 9.100 -6.239 8.449 1.00 0.00 C ATOM 1182 O ARG A 75 10.133 -6.901 8.365 1.00 0.00 O ATOM 1183 CB ARG A 75 7.090 -6.577 7.012 1.00 0.00 C ATOM 1184 CG ARG A 75 5.976 -7.568 6.670 1.00 0.00 C ATOM 1185 CD ARG A 75 6.519 -8.996 6.583 1.00 0.00 C ATOM 1186 NE ARG A 75 5.994 -9.664 5.372 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.537 -10.759 4.822 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.625 -11.315 5.372 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.993 -11.298 3.723 1.00 0.00 N ATOM 0 H ARG A 75 6.243 -5.738 9.242 1.00 0.00 H new ATOM 0 HA ARG A 75 7.853 -7.999 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.685 -5.566 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.848 -6.592 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.195 -7.518 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.517 -7.291 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.609 -8.978 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.232 -9.558 7.472 1.00 0.00 H new ATOM 0 HE ARG A 75 5.167 -9.266 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.040 -10.905 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.039 -12.148 4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.165 -10.875 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.407 -12.131 3.305 1.00 0.00 H new ATOM 1203 N GLY A 76 9.063 -4.925 8.620 1.00 0.00 N ATOM 1204 CA GLY A 76 10.287 -4.149 8.723 1.00 0.00 C ATOM 1205 C GLY A 76 10.030 -2.675 8.404 1.00 0.00 C ATOM 1206 O GLY A 76 10.685 -1.793 8.958 1.00 0.00 O ATOM 0 H GLY A 76 8.204 -4.379 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.697 -4.241 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.034 -4.548 8.037 1.00 0.00 H new ATOM 1210 N ILE A 77 9.076 -2.454 7.511 1.00 0.00 N ATOM 1211 CA ILE A 77 8.725 -1.102 7.111 1.00 0.00 C ATOM 1212 C ILE A 77 8.659 -0.208 8.352 1.00 0.00 C ATOM 1213 O ILE A 77 7.786 -0.383 9.201 1.00 0.00 O ATOM 1214 CB ILE A 77 7.437 -1.105 6.287 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.697 -1.605 4.864 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.775 0.275 6.297 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.470 -2.325 4.302 1.00 0.00 C ATOM 0 H ILE A 77 8.536 -3.188 7.054 1.00 0.00 H new ATOM 0 HA ILE A 77 9.493 -0.686 6.459 1.00 0.00 H new ATOM 0 HB ILE A 77 6.738 -1.801 6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.955 -0.764 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.552 -2.281 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.861 0.245 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.533 0.555 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.459 1.010 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.682 -2.670 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.229 -3.180 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.623 -1.639 4.281 1.00 0.00 H new ATOM 1229 N LEU A 78 9.593 0.729 8.417 1.00 0.00 N ATOM 1230 CA LEU A 78 9.652 1.650 9.540 1.00 0.00 C ATOM 1231 C LEU A 78 9.535 3.085 9.023 1.00 0.00 C ATOM 1232 O LEU A 78 9.147 3.306 7.877 1.00 0.00 O ATOM 1233 CB LEU A 78 10.909 1.398 10.374 1.00 0.00 C ATOM 1234 CG LEU A 78 10.677 0.993 11.832 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.701 -0.181 11.926 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.002 0.695 12.536 1.00 0.00 C ATOM 0 H LEU A 78 10.315 0.871 7.711 1.00 0.00 H new ATOM 0 HA LEU A 78 8.812 1.483 10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.492 0.615 9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.517 2.303 10.361 1.00 0.00 H new ATOM 0 HG LEU A 78 10.219 1.835 12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.554 -0.449 12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.745 0.104 11.486 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.108 -1.036 11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.808 0.410 13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.511 -0.122 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.632 1.584 12.517 1.00 0.00 H new ATOM 1248 N ASP A 79 9.877 4.023 9.893 1.00 0.00 N ATOM 1249 CA ASP A 79 9.815 5.431 9.539 1.00 0.00 C ATOM 1250 C ASP A 79 10.943 5.756 8.558 1.00 0.00 C ATOM 1251 O ASP A 79 12.104 5.444 8.817 1.00 0.00 O ATOM 1252 CB ASP A 79 9.991 6.318 10.774 1.00 0.00 C ATOM 1253 CG ASP A 79 10.487 7.736 10.485 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.689 8.512 9.918 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.654 8.012 10.839 1.00 0.00 O ATOM 0 H ASP A 79 10.198 3.836 10.843 1.00 0.00 H new ATOM 0 HA ASP A 79 8.839 5.624 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.036 6.382 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.693 5.835 11.453 1.00 0.00 H new ATOM 1260 N GLY A 80 10.562 6.379 7.453 1.00 0.00 N ATOM 1261 CA GLY A 80 11.527 6.750 6.432 1.00 0.00 C ATOM 1262 C GLY A 80 12.014 5.519 5.666 1.00 0.00 C ATOM 1263 O GLY A 80 13.218 5.297 5.541 1.00 0.00 O ATOM 0 H GLY A 80 9.598 6.636 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.074 7.459 5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.375 7.254 6.894 1.00 0.00 H new ATOM 1267 N SER A 81 11.055 4.750 5.172 1.00 0.00 N ATOM 1268 CA SER A 81 11.371 3.547 4.421 1.00 0.00 C ATOM 1269 C SER A 81 10.784 3.640 3.012 1.00 0.00 C ATOM 1270 O SER A 81 9.809 4.356 2.787 1.00 0.00 O ATOM 1271 CB SER A 81 10.846 2.299 5.134 1.00 0.00 C ATOM 1272 OG SER A 81 10.999 2.387 6.548 1.00 0.00 O ATOM 0 H SER A 81 10.058 4.937 5.277 1.00 0.00 H new ATOM 0 HA SER A 81 12.455 3.463 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.793 2.159 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.377 1.421 4.766 1.00 0.00 H new ATOM 0 HG SER A 81 10.395 3.073 6.900 1.00 0.00 H new ATOM 1278 N THR A 82 11.402 2.906 2.098 1.00 0.00 N ATOM 1279 CA THR A 82 10.952 2.897 0.716 1.00 0.00 C ATOM 1280 C THR A 82 10.281 1.564 0.382 1.00 0.00 C ATOM 1281 O THR A 82 10.748 0.507 0.804 1.00 0.00 O ATOM 1282 CB THR A 82 12.156 3.212 -0.175 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.532 4.533 0.204 1.00 0.00 O ATOM 1284 CG2 THR A 82 11.774 3.343 -1.650 1.00 0.00 C ATOM 0 H THR A 82 12.210 2.313 2.287 1.00 0.00 H new ATOM 0 HA THR A 82 10.192 3.659 0.542 1.00 0.00 H new ATOM 0 HB THR A 82 12.906 2.429 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.307 4.817 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.664 3.567 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.336 2.407 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.049 4.149 -1.768 1.00 0.00 H new ATOM 1292 N VAL A 83 9.197 1.656 -0.373 1.00 0.00 N ATOM 1293 CA VAL A 83 8.457 0.469 -0.769 1.00 0.00 C ATOM 1294 C VAL A 83 8.082 0.577 -2.248 1.00 0.00 C ATOM 1295 O VAL A 83 7.774 1.663 -2.736 1.00 0.00 O ATOM 1296 CB VAL A 83 7.243 0.281 0.144 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.745 -1.165 0.102 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.564 0.709 1.578 1.00 0.00 C ATOM 0 H VAL A 83 8.813 2.534 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 83 9.074 -0.422 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 83 6.443 0.922 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.882 -1.272 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.458 -1.422 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.539 -1.833 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.685 0.565 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.387 0.106 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.849 1.761 1.588 1.00 0.00 H new ATOM 1308 N HIS A 84 8.120 -0.564 -2.920 1.00 0.00 N ATOM 1309 CA HIS A 84 7.788 -0.611 -4.334 1.00 0.00 C ATOM 1310 C HIS A 84 6.296 -0.905 -4.500 1.00 0.00 C ATOM 1311 O HIS A 84 5.743 -1.751 -3.799 1.00 0.00 O ATOM 1312 CB HIS A 84 8.676 -1.619 -5.067 1.00 0.00 C ATOM 1313 CG HIS A 84 10.075 -1.120 -5.339 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.415 -0.432 -6.491 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.215 -1.216 -4.597 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.704 -0.133 -6.434 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.199 -0.620 -5.260 1.00 0.00 N ATOM 0 H HIS A 84 8.376 -1.463 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 84 7.985 0.359 -4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.736 -2.533 -4.476 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.204 -1.882 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.303 -1.696 -3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.265 0.403 -7.186 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.165 -0.540 -4.944 1.00 0.00 H new ATOM 1325 N VAL A 85 5.685 -0.190 -5.434 1.00 0.00 N ATOM 1326 CA VAL A 85 4.268 -0.363 -5.702 1.00 0.00 C ATOM 1327 C VAL A 85 4.091 -1.135 -7.011 1.00 0.00 C ATOM 1328 O VAL A 85 4.925 -1.038 -7.910 1.00 0.00 O ATOM 1329 CB VAL A 85 3.567 0.997 -5.711 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.976 1.817 -6.937 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.047 0.831 -5.645 1.00 0.00 C ATOM 0 H VAL A 85 6.146 0.511 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 85 3.799 -0.950 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 85 3.884 1.543 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.464 2.779 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.054 1.980 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.702 1.277 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.573 1.813 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.706 0.257 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.778 0.305 -4.729 1.00 0.00 H new ATOM 1341 N VAL A 86 3.000 -1.884 -7.077 1.00 0.00 N ATOM 1342 CA VAL A 86 2.704 -2.673 -8.261 1.00 0.00 C ATOM 1343 C VAL A 86 1.237 -2.474 -8.646 1.00 0.00 C ATOM 1344 O VAL A 86 0.406 -2.155 -7.797 1.00 0.00 O ATOM 1345 CB VAL A 86 3.064 -4.139 -8.016 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.262 -5.062 -8.937 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.567 -4.370 -8.184 1.00 0.00 C ATOM 0 H VAL A 86 2.310 -1.961 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 86 3.310 -2.340 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 86 2.800 -4.381 -6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.537 -6.099 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.197 -4.928 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.480 -4.818 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.796 -5.420 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.865 -4.102 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.112 -3.753 -7.470 1.00 0.00 H new ATOM 1357 N VAL A 87 0.963 -2.669 -9.928 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.389 -2.516 -10.436 1.00 0.00 C ATOM 1359 C VAL A 87 -0.677 -3.624 -11.451 1.00 0.00 C ATOM 1360 O VAL A 87 -0.898 -3.350 -12.629 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.573 -1.112 -11.016 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.050 -0.821 -11.290 1.00 0.00 C ATOM 1363 CG2 VAL A 87 0.032 -0.053 -10.092 1.00 0.00 C ATOM 0 H VAL A 87 1.655 -2.932 -10.630 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.114 -2.619 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.041 -1.070 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.153 0.183 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.438 -1.547 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.613 -0.891 -10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.113 0.936 -10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.458 -0.096 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.098 -0.243 -9.970 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.666 -4.853 -10.956 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.923 -6.004 -11.804 1.00 0.00 C ATOM 1375 C ARG A 88 -2.030 -5.684 -12.811 1.00 0.00 C ATOM 1376 O ARG A 88 -2.823 -4.769 -12.597 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.336 -7.220 -10.973 1.00 0.00 C ATOM 1378 CG ARG A 88 -0.317 -7.499 -9.866 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.500 -8.906 -9.293 1.00 0.00 C ATOM 1380 NE ARG A 88 -1.598 -8.909 -8.301 1.00 0.00 N ATOM 1381 CZ ARG A 88 -2.147 -10.020 -7.792 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -1.703 -11.224 -8.178 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -3.139 -9.928 -6.896 1.00 0.00 N ATOM 0 H ARG A 88 -0.483 -5.077 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 88 0.000 -6.238 -12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.318 -7.048 -10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.425 -8.093 -11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.693 -7.392 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.428 -6.762 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.722 -9.609 -10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.426 -9.240 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.959 -8.009 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.947 -11.294 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.121 -12.070 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.477 -9.012 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.557 -10.774 -6.509 1.00 0.00 H new ATOM 1397 N SER A 89 -2.048 -6.456 -13.888 1.00 0.00 N ATOM 1398 CA SER A 89 -3.044 -6.267 -14.928 1.00 0.00 C ATOM 1399 C SER A 89 -2.879 -7.335 -16.011 1.00 0.00 C ATOM 1400 O SER A 89 -1.783 -7.530 -16.534 1.00 0.00 O ATOM 1401 CB SER A 89 -2.941 -4.869 -15.542 1.00 0.00 C ATOM 1402 OG SER A 89 -1.689 -4.662 -16.191 1.00 0.00 O ATOM 0 H SER A 89 -1.388 -7.214 -14.062 1.00 0.00 H new ATOM 0 HA SER A 89 -4.032 -6.365 -14.477 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.749 -4.728 -16.260 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.073 -4.120 -14.762 1.00 0.00 H new ATOM 0 HG SER A 89 -1.342 -5.520 -16.513 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.985 -7.999 -16.316 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.977 -9.042 -17.327 1.00 0.00 C ATOM 1410 C HIS A 90 -5.299 -9.022 -18.096 1.00 0.00 C ATOM 1411 O HIS A 90 -6.345 -8.708 -17.530 1.00 0.00 O ATOM 1412 CB HIS A 90 -3.677 -10.405 -16.699 1.00 0.00 C ATOM 1413 CG HIS A 90 -3.439 -11.506 -17.705 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -2.570 -11.369 -18.774 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -3.963 -12.762 -17.793 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -2.580 -12.498 -19.468 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -3.445 -13.360 -18.858 1.00 0.00 N ATOM 0 H HIS A 90 -4.892 -7.834 -15.880 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.177 -8.853 -18.043 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.798 -10.314 -16.061 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.510 -10.688 -16.056 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.679 -13.196 -17.111 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.005 -12.700 -20.359 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.658 -14.308 -19.170 1.00 0.00 H new ATOM 1425 N SER A 91 -5.209 -9.362 -19.373 1.00 0.00 N ATOM 1426 CA SER A 91 -6.386 -9.387 -20.225 1.00 0.00 C ATOM 1427 C SER A 91 -7.063 -8.015 -20.222 1.00 0.00 C ATOM 1428 O SER A 91 -6.736 -7.159 -19.402 1.00 0.00 O ATOM 1429 CB SER A 91 -7.371 -10.466 -19.773 1.00 0.00 C ATOM 1430 OG SER A 91 -6.740 -11.734 -19.618 1.00 0.00 O ATOM 0 H SER A 91 -4.340 -9.622 -19.839 1.00 0.00 H new ATOM 0 HA SER A 91 -6.068 -9.626 -21.240 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.825 -10.169 -18.828 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.177 -10.549 -20.502 1.00 0.00 H new ATOM 0 HG SER A 91 -7.402 -12.395 -19.327 1.00 0.00 H new ATOM 1436 N GLY A 92 -7.996 -7.849 -21.149 1.00 0.00 N ATOM 1437 CA GLY A 92 -8.722 -6.596 -21.263 1.00 0.00 C ATOM 1438 C GLY A 92 -8.632 -6.037 -22.685 1.00 0.00 C ATOM 1439 O GLY A 92 -7.537 -5.829 -23.206 1.00 0.00 O ATOM 0 H GLY A 92 -8.265 -8.561 -21.827 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.767 -6.752 -20.995 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.316 -5.871 -20.557 1.00 0.00 H new ATOM 1443 N PRO A 93 -9.828 -5.806 -23.289 1.00 0.00 N ATOM 1444 CA PRO A 93 -9.895 -5.276 -24.640 1.00 0.00 C ATOM 1445 C PRO A 93 -9.556 -3.784 -24.661 1.00 0.00 C ATOM 1446 O PRO A 93 -9.951 -3.041 -23.763 1.00 0.00 O ATOM 1447 CB PRO A 93 -11.310 -5.570 -25.109 1.00 0.00 C ATOM 1448 CG PRO A 93 -12.120 -5.833 -23.849 1.00 0.00 C ATOM 1449 CD PRO A 93 -11.145 -6.041 -22.703 1.00 0.00 C ATOM 0 HA PRO A 93 -9.165 -5.734 -25.308 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.719 -4.728 -25.668 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.330 -6.434 -25.774 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.782 -4.993 -23.639 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.751 -6.712 -23.978 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.343 -5.349 -21.884 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.223 -7.049 -22.295 1.00 0.00 H new ATOM 1457 N SER A 94 -8.828 -3.390 -25.695 1.00 0.00 N ATOM 1458 CA SER A 94 -8.431 -2.000 -25.845 1.00 0.00 C ATOM 1459 C SER A 94 -9.671 -1.112 -25.971 1.00 0.00 C ATOM 1460 O SER A 94 -10.778 -1.611 -26.173 1.00 0.00 O ATOM 1461 CB SER A 94 -7.521 -1.815 -27.061 1.00 0.00 C ATOM 1462 OG SER A 94 -6.237 -1.317 -26.696 1.00 0.00 O ATOM 0 H SER A 94 -8.502 -4.009 -26.437 1.00 0.00 H new ATOM 0 HA SER A 94 -7.870 -1.707 -24.957 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.407 -2.768 -27.577 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.990 -1.127 -27.764 1.00 0.00 H new ATOM 0 HG SER A 94 -5.685 -1.214 -27.500 1.00 0.00 H new ATOM 1468 N SER A 95 -9.445 0.187 -25.845 1.00 0.00 N ATOM 1469 CA SER A 95 -10.530 1.148 -25.942 1.00 0.00 C ATOM 1470 C SER A 95 -11.527 0.929 -24.802 1.00 0.00 C ATOM 1471 O SER A 95 -11.966 -0.195 -24.564 1.00 0.00 O ATOM 1472 CB SER A 95 -11.239 1.045 -27.294 1.00 0.00 C ATOM 1473 OG SER A 95 -10.589 1.818 -28.299 1.00 0.00 O ATOM 0 H SER A 95 -8.526 0.597 -25.677 1.00 0.00 H new ATOM 0 HA SER A 95 -10.107 2.149 -25.860 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.274 0.001 -27.606 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.270 1.381 -27.189 1.00 0.00 H new ATOM 0 HG SER A 95 -11.071 1.724 -29.147 1.00 0.00 H new ATOM 1479 N GLY A 96 -11.855 2.021 -24.127 1.00 0.00 N ATOM 1480 CA GLY A 96 -12.791 1.962 -23.018 1.00 0.00 C ATOM 1481 C GLY A 96 -12.338 2.866 -21.870 1.00 0.00 C ATOM 1482 O GLY A 96 -11.734 3.912 -22.100 1.00 0.00 O ATOM 0 H GLY A 96 -11.489 2.952 -24.327 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -13.781 2.267 -23.357 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.877 0.935 -22.664 1.00 0.00 H new TER 1486 GLY A 96