USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 87 THR OG1 : rot 121:sc= 1.27 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 137:sc= -1.19 (180deg=-3.34!) USER MOD Set 2.2: A 46 CYS SG : rot 170:sc= -2.69! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0296 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -132:sc= -2.25! (180deg=-4.96!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.22) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.134 K(o=-0.13,f=-3.4!) USER MOD Single : A 18 TYR OH : rot -121:sc= 1.12 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.3!) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.93 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -179:sc= 0 (180deg=-0.0052) USER MOD Single : A 72 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.042 (180deg=-0.366) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.776 7.266 -32.604 1.00 0.00 N ATOM 2 CA GLY A 1 7.244 6.391 -33.632 1.00 0.00 C ATOM 3 C GLY A 1 8.021 5.095 -33.752 1.00 0.00 C ATOM 4 O GLY A 1 7.440 4.011 -33.737 1.00 0.00 O ATOM 0 H1 GLY A 1 7.210 8.137 -32.563 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.737 6.784 -31.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.763 7.505 -32.828 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.201 6.166 -33.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.260 6.910 -34.590 1.00 0.00 H new ATOM 8 N SER A 2 9.340 5.208 -33.873 1.00 0.00 N ATOM 9 CA SER A 2 10.198 4.035 -34.001 1.00 0.00 C ATOM 10 C SER A 2 11.283 4.037 -32.928 1.00 0.00 C ATOM 11 O SER A 2 11.443 3.064 -32.190 1.00 0.00 O ATOM 12 CB SER A 2 10.838 3.995 -35.390 1.00 0.00 C ATOM 13 OG SER A 2 11.844 3.000 -35.459 1.00 0.00 O ATOM 0 H SER A 2 9.837 6.098 -33.885 1.00 0.00 H new ATOM 0 HA SER A 2 9.581 3.147 -33.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.073 3.796 -36.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.268 4.969 -35.624 1.00 0.00 H new ATOM 0 HG SER A 2 12.237 2.993 -36.357 1.00 0.00 H new ATOM 19 N SER A 3 12.027 5.136 -32.849 1.00 0.00 N ATOM 20 CA SER A 3 13.099 5.263 -31.870 1.00 0.00 C ATOM 21 C SER A 3 12.535 5.514 -30.475 1.00 0.00 C ATOM 22 O SER A 3 11.717 6.411 -30.276 1.00 0.00 O ATOM 23 CB SER A 3 14.045 6.401 -32.263 1.00 0.00 C ATOM 24 OG SER A 3 15.005 5.963 -33.208 1.00 0.00 O ATOM 0 H SER A 3 11.907 5.950 -33.451 1.00 0.00 H new ATOM 0 HA SER A 3 13.656 4.326 -31.854 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.470 7.228 -32.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.551 6.780 -31.375 1.00 0.00 H new ATOM 0 HG SER A 3 15.596 6.709 -33.444 1.00 0.00 H new ATOM 30 N GLY A 4 12.980 4.714 -29.510 1.00 0.00 N ATOM 31 CA GLY A 4 12.508 4.865 -28.146 1.00 0.00 C ATOM 32 C GLY A 4 13.211 3.928 -27.183 1.00 0.00 C ATOM 33 O GLY A 4 12.700 2.853 -26.869 1.00 0.00 O ATOM 0 H GLY A 4 13.658 3.965 -29.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.661 5.895 -27.823 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.435 4.677 -28.113 1.00 0.00 H new ATOM 37 N SER A 5 14.387 4.335 -26.715 1.00 0.00 N ATOM 38 CA SER A 5 15.163 3.522 -25.787 1.00 0.00 C ATOM 39 C SER A 5 14.566 3.578 -24.385 1.00 0.00 C ATOM 40 O SER A 5 14.400 2.550 -23.727 1.00 0.00 O ATOM 41 CB SER A 5 16.617 3.996 -25.754 1.00 0.00 C ATOM 42 OG SER A 5 16.700 5.358 -25.369 1.00 0.00 O ATOM 0 H SER A 5 14.823 5.223 -26.964 1.00 0.00 H new ATOM 0 HA SER A 5 15.133 2.489 -26.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.187 3.382 -25.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.068 3.864 -26.737 1.00 0.00 H new ATOM 0 HG SER A 5 17.639 5.637 -25.354 1.00 0.00 H new ATOM 48 N SER A 6 14.244 4.786 -23.933 1.00 0.00 N ATOM 49 CA SER A 6 13.667 4.977 -22.607 1.00 0.00 C ATOM 50 C SER A 6 12.151 5.132 -22.691 1.00 0.00 C ATOM 51 O SER A 6 11.636 5.857 -23.541 1.00 0.00 O ATOM 52 CB SER A 6 14.280 6.207 -21.936 1.00 0.00 C ATOM 53 OG SER A 6 13.697 6.438 -20.664 1.00 0.00 O ATOM 0 H SER A 6 14.373 5.647 -24.465 1.00 0.00 H new ATOM 0 HA SER A 6 13.891 4.094 -22.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.355 6.067 -21.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.135 7.081 -22.570 1.00 0.00 H new ATOM 0 HG SER A 6 14.107 7.229 -20.255 1.00 0.00 H new ATOM 59 N GLY A 7 11.443 4.444 -21.800 1.00 0.00 N ATOM 60 CA GLY A 7 9.994 4.517 -21.790 1.00 0.00 C ATOM 61 C GLY A 7 9.384 3.769 -20.621 1.00 0.00 C ATOM 62 O GLY A 7 8.805 2.697 -20.794 1.00 0.00 O ATOM 0 H GLY A 7 11.847 3.838 -21.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.686 5.562 -21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.606 4.107 -22.722 1.00 0.00 H new ATOM 66 N MET A 8 9.515 4.336 -19.425 1.00 0.00 N ATOM 67 CA MET A 8 8.972 3.714 -18.222 1.00 0.00 C ATOM 68 C MET A 8 8.235 4.739 -17.367 1.00 0.00 C ATOM 69 O MET A 8 8.728 5.837 -17.107 1.00 0.00 O ATOM 70 CB MET A 8 10.094 3.064 -17.408 1.00 0.00 C ATOM 71 CG MET A 8 9.591 2.133 -16.317 1.00 0.00 C ATOM 72 SD MET A 8 9.213 0.481 -16.933 1.00 0.00 S ATOM 73 CE MET A 8 7.687 0.135 -16.062 1.00 0.00 C ATOM 0 H MET A 8 9.991 5.223 -19.263 1.00 0.00 H new ATOM 0 HA MET A 8 8.263 2.945 -18.528 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.743 2.504 -18.081 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.703 3.846 -16.955 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.343 2.060 -15.532 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.697 2.561 -15.863 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.741 -0.857 -15.613 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.537 0.880 -15.280 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.852 0.171 -16.762 1.00 0.00 H new ATOM 83 N PRO A 9 7.025 4.375 -16.917 1.00 0.00 N ATOM 84 CA PRO A 9 6.194 5.249 -16.083 1.00 0.00 C ATOM 85 C PRO A 9 6.769 5.431 -14.683 1.00 0.00 C ATOM 86 O PRO A 9 7.601 4.644 -14.236 1.00 0.00 O ATOM 87 CB PRO A 9 4.856 4.511 -16.020 1.00 0.00 C ATOM 88 CG PRO A 9 5.199 3.080 -16.249 1.00 0.00 C ATOM 89 CD PRO A 9 6.375 3.082 -17.187 1.00 0.00 C ATOM 0 HA PRO A 9 6.121 6.256 -16.493 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.372 4.652 -15.054 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.166 4.879 -16.779 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.448 2.583 -15.311 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.356 2.541 -16.681 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.047 2.246 -16.991 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.059 3.000 -18.227 1.00 0.00 H new ATOM 97 N ASN A 10 6.317 6.474 -13.993 1.00 0.00 N ATOM 98 CA ASN A 10 6.786 6.758 -12.643 1.00 0.00 C ATOM 99 C ASN A 10 5.638 6.682 -11.640 1.00 0.00 C ATOM 100 O ASN A 10 5.773 6.086 -10.570 1.00 0.00 O ATOM 101 CB ASN A 10 7.434 8.144 -12.587 1.00 0.00 C ATOM 102 CG ASN A 10 8.823 8.157 -13.195 1.00 0.00 C ATOM 103 OD1 ASN A 10 9.809 7.842 -12.527 1.00 0.00 O ATOM 104 ND2 ASN A 10 8.907 8.520 -14.470 1.00 0.00 N ATOM 0 H ASN A 10 5.627 7.136 -14.348 1.00 0.00 H new ATOM 0 HA ASN A 10 7.528 6.005 -12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.803 8.859 -13.115 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.491 8.474 -11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.815 8.546 -14.934 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.064 8.773 -14.985 1.00 0.00 H new ATOM 111 N ARG A 11 4.510 7.289 -11.993 1.00 0.00 N ATOM 112 CA ARG A 11 3.339 7.289 -11.125 1.00 0.00 C ATOM 113 C ARG A 11 2.140 6.659 -11.829 1.00 0.00 C ATOM 114 O ARG A 11 1.958 6.822 -13.035 1.00 0.00 O ATOM 115 CB ARG A 11 2.998 8.717 -10.695 1.00 0.00 C ATOM 116 CG ARG A 11 1.783 8.805 -9.785 1.00 0.00 C ATOM 117 CD ARG A 11 1.367 10.249 -9.550 1.00 0.00 C ATOM 118 NE ARG A 11 2.213 10.908 -8.557 1.00 0.00 N ATOM 119 CZ ARG A 11 3.374 11.483 -8.848 1.00 0.00 C ATOM 120 NH1 ARG A 11 3.826 11.481 -10.094 1.00 0.00 N ATOM 121 NH2 ARG A 11 4.086 12.063 -7.890 1.00 0.00 N ATOM 0 H ARG A 11 4.382 7.787 -12.874 1.00 0.00 H new ATOM 0 HA ARG A 11 3.573 6.696 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.858 9.148 -10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.820 9.323 -11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.954 8.254 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.007 8.330 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.417 10.798 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.329 10.278 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 11 1.894 10.927 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.282 11.037 -10.833 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.718 11.924 -10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.741 12.067 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.978 12.505 -8.114 1.00 0.00 H new ATOM 135 N LYS A 12 1.325 5.938 -11.066 1.00 0.00 N ATOM 136 CA LYS A 12 0.142 5.284 -11.614 1.00 0.00 C ATOM 137 C LYS A 12 -1.079 5.544 -10.738 1.00 0.00 C ATOM 138 O LYS A 12 -1.003 6.277 -9.753 1.00 0.00 O ATOM 139 CB LYS A 12 0.381 3.777 -11.740 1.00 0.00 C ATOM 140 CG LYS A 12 0.767 3.110 -10.432 1.00 0.00 C ATOM 141 CD LYS A 12 1.381 1.740 -10.664 1.00 0.00 C ATOM 142 CE LYS A 12 2.821 1.849 -11.144 1.00 0.00 C ATOM 143 NZ LYS A 12 3.255 0.627 -11.876 1.00 0.00 N ATOM 0 H LYS A 12 1.462 5.792 -10.066 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.048 5.701 -12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.523 3.305 -12.125 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.169 3.603 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.476 3.741 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.115 3.012 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.347 1.164 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.791 1.196 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.922 2.717 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.477 2.013 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.271 0.471 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.721 -0.194 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.077 0.750 -12.893 1.00 0.00 H new ATOM 157 N ALA A 13 -2.203 4.937 -11.103 1.00 0.00 N ATOM 158 CA ALA A 13 -3.440 5.101 -10.349 1.00 0.00 C ATOM 159 C ALA A 13 -4.086 3.751 -10.056 1.00 0.00 C ATOM 160 O ALA A 13 -4.491 3.478 -8.925 1.00 0.00 O ATOM 161 CB ALA A 13 -4.406 5.998 -11.107 1.00 0.00 C ATOM 0 H ALA A 13 -2.283 4.327 -11.917 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.197 5.573 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.325 6.111 -10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.950 6.976 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.636 5.550 -12.074 1.00 0.00 H new ATOM 167 N SER A 14 -4.181 2.911 -11.080 1.00 0.00 N ATOM 168 CA SER A 14 -4.783 1.591 -10.934 1.00 0.00 C ATOM 169 C SER A 14 -4.465 0.998 -9.565 1.00 0.00 C ATOM 170 O SER A 14 -5.357 0.795 -8.740 1.00 0.00 O ATOM 171 CB SER A 14 -4.285 0.654 -12.036 1.00 0.00 C ATOM 172 OG SER A 14 -4.548 1.192 -13.320 1.00 0.00 O ATOM 0 H SER A 14 -3.849 3.121 -12.021 1.00 0.00 H new ATOM 0 HA SER A 14 -5.864 1.701 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.214 0.488 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.770 -0.317 -11.939 1.00 0.00 H new ATOM 0 HG SER A 14 -4.219 0.575 -14.007 1.00 0.00 H new ATOM 178 N ARG A 15 -3.186 0.721 -9.330 1.00 0.00 N ATOM 179 CA ARG A 15 -2.749 0.150 -8.062 1.00 0.00 C ATOM 180 C ARG A 15 -1.559 0.923 -7.499 1.00 0.00 C ATOM 181 O ARG A 15 -0.503 0.997 -8.125 1.00 0.00 O ATOM 182 CB ARG A 15 -2.374 -1.323 -8.244 1.00 0.00 C ATOM 183 CG ARG A 15 -3.555 -2.213 -8.593 1.00 0.00 C ATOM 184 CD ARG A 15 -3.122 -3.656 -8.802 1.00 0.00 C ATOM 185 NE ARG A 15 -4.108 -4.419 -9.562 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.190 -5.744 -9.537 1.00 0.00 C ATOM 187 NH1 ARG A 15 -3.350 -6.450 -8.793 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.116 -6.367 -10.257 1.00 0.00 N ATOM 0 H ARG A 15 -2.435 0.883 -10.001 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.575 0.223 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.624 -1.404 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.913 -1.688 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.296 -2.166 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.037 -1.842 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.166 -3.675 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.964 -4.131 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.770 -3.906 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.638 -5.975 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.416 -7.468 -8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.765 -5.828 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.178 -7.385 -10.237 1.00 0.00 H new ATOM 202 N ASN A 16 -1.742 1.497 -6.314 1.00 0.00 N ATOM 203 CA ASN A 16 -0.684 2.266 -5.668 1.00 0.00 C ATOM 204 C ASN A 16 -0.485 1.810 -4.225 1.00 0.00 C ATOM 205 O ASN A 16 -1.277 1.033 -3.694 1.00 0.00 O ATOM 206 CB ASN A 16 -1.017 3.759 -5.701 1.00 0.00 C ATOM 207 CG ASN A 16 -0.819 4.364 -7.077 1.00 0.00 C ATOM 208 OD1 ASN A 16 -1.707 4.305 -7.927 1.00 0.00 O ATOM 209 ND2 ASN A 16 0.351 4.952 -7.303 1.00 0.00 N ATOM 0 H ASN A 16 -2.611 1.444 -5.783 1.00 0.00 H new ATOM 0 HA ASN A 16 0.242 2.095 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.051 3.905 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.389 4.285 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.541 5.378 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.059 4.978 -6.569 1.00 0.00 H new ATOM 216 N ALA A 17 0.579 2.300 -3.597 1.00 0.00 N ATOM 217 CA ALA A 17 0.881 1.946 -2.216 1.00 0.00 C ATOM 218 C ALA A 17 -0.397 1.751 -1.407 1.00 0.00 C ATOM 219 O ALA A 17 -0.556 0.747 -0.712 1.00 0.00 O ATOM 220 CB ALA A 17 1.755 3.014 -1.575 1.00 0.00 C ATOM 0 H ALA A 17 1.246 2.943 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 17 1.425 1.002 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.972 2.736 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.688 3.103 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.232 3.970 -1.590 1.00 0.00 H new ATOM 226 N TYR A 18 -1.304 2.716 -1.501 1.00 0.00 N ATOM 227 CA TYR A 18 -2.567 2.652 -0.775 1.00 0.00 C ATOM 228 C TYR A 18 -3.277 1.326 -1.033 1.00 0.00 C ATOM 229 O TYR A 18 -3.717 0.653 -0.101 1.00 0.00 O ATOM 230 CB TYR A 18 -3.473 3.815 -1.181 1.00 0.00 C ATOM 231 CG TYR A 18 -4.710 3.948 -0.323 1.00 0.00 C ATOM 232 CD1 TYR A 18 -4.614 4.287 1.021 1.00 0.00 C ATOM 233 CD2 TYR A 18 -5.976 3.735 -0.856 1.00 0.00 C ATOM 234 CE1 TYR A 18 -5.742 4.409 1.809 1.00 0.00 C ATOM 235 CE2 TYR A 18 -7.110 3.856 -0.075 1.00 0.00 C ATOM 236 CZ TYR A 18 -6.987 4.192 1.256 1.00 0.00 C ATOM 237 OH TYR A 18 -8.113 4.313 2.038 1.00 0.00 O ATOM 0 H TYR A 18 -1.189 3.553 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.348 2.726 0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.904 4.743 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.774 3.684 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.641 4.458 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.075 3.470 -1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.650 4.673 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.086 3.688 -0.505 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.601 3.463 2.042 1.00 0.00 H new ATOM 247 N TYR A 19 -3.383 0.957 -2.305 1.00 0.00 N ATOM 248 CA TYR A 19 -4.040 -0.287 -2.687 1.00 0.00 C ATOM 249 C TYR A 19 -3.403 -1.479 -1.981 1.00 0.00 C ATOM 250 O TYR A 19 -4.098 -2.341 -1.442 1.00 0.00 O ATOM 251 CB TYR A 19 -3.968 -0.481 -4.203 1.00 0.00 C ATOM 252 CG TYR A 19 -4.461 -1.834 -4.665 1.00 0.00 C ATOM 253 CD1 TYR A 19 -3.705 -2.979 -4.454 1.00 0.00 C ATOM 254 CD2 TYR A 19 -5.684 -1.965 -5.312 1.00 0.00 C ATOM 255 CE1 TYR A 19 -4.152 -4.217 -4.873 1.00 0.00 C ATOM 256 CE2 TYR A 19 -6.138 -3.199 -5.735 1.00 0.00 C ATOM 257 CZ TYR A 19 -5.370 -4.322 -5.513 1.00 0.00 C ATOM 258 OH TYR A 19 -5.819 -5.553 -5.934 1.00 0.00 O ATOM 0 H TYR A 19 -3.022 1.502 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.085 -0.224 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.558 0.296 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.936 -0.349 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.751 -2.901 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.289 -1.088 -5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.551 -5.098 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.090 -3.284 -6.237 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.693 -5.452 -6.365 1.00 0.00 H new ATOM 268 N PHE A 20 -2.075 -1.521 -1.985 1.00 0.00 N ATOM 269 CA PHE A 20 -1.342 -2.607 -1.345 1.00 0.00 C ATOM 270 C PHE A 20 -1.627 -2.646 0.154 1.00 0.00 C ATOM 271 O PHE A 20 -1.728 -3.719 0.750 1.00 0.00 O ATOM 272 CB PHE A 20 0.160 -2.449 -1.585 1.00 0.00 C ATOM 273 CG PHE A 20 0.643 -3.132 -2.833 1.00 0.00 C ATOM 274 CD1 PHE A 20 0.181 -2.736 -4.078 1.00 0.00 C ATOM 275 CD2 PHE A 20 1.559 -4.169 -2.760 1.00 0.00 C ATOM 276 CE1 PHE A 20 0.623 -3.364 -5.228 1.00 0.00 C ATOM 277 CE2 PHE A 20 2.005 -4.800 -3.907 1.00 0.00 C ATOM 278 CZ PHE A 20 1.537 -4.396 -5.141 1.00 0.00 C ATOM 0 H PHE A 20 -1.484 -0.815 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.676 -3.546 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.401 -1.388 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.701 -2.850 -0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.532 -1.928 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.929 -4.488 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.254 -3.048 -6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.718 -5.608 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.885 -4.886 -6.038 1.00 0.00 H new ATOM 288 N PHE A 21 -1.755 -1.469 0.757 1.00 0.00 N ATOM 289 CA PHE A 21 -2.026 -1.367 2.186 1.00 0.00 C ATOM 290 C PHE A 21 -3.394 -1.953 2.522 1.00 0.00 C ATOM 291 O PHE A 21 -3.532 -2.740 3.458 1.00 0.00 O ATOM 292 CB PHE A 21 -1.960 0.094 2.636 1.00 0.00 C ATOM 293 CG PHE A 21 -2.393 0.302 4.060 1.00 0.00 C ATOM 294 CD1 PHE A 21 -1.573 -0.076 5.110 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.622 0.876 4.346 1.00 0.00 C ATOM 296 CE1 PHE A 21 -1.968 0.115 6.421 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.022 1.071 5.655 1.00 0.00 C ATOM 298 CZ PHE A 21 -3.196 0.688 6.693 1.00 0.00 C ATOM 0 H PHE A 21 -1.675 -0.572 0.278 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.265 -1.938 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.939 0.457 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.590 0.697 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.613 -0.525 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.274 1.174 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.318 -0.183 7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.980 1.523 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.509 0.836 7.716 1.00 0.00 H new ATOM 308 N VAL A 22 -4.405 -1.562 1.752 1.00 0.00 N ATOM 309 CA VAL A 22 -5.763 -2.048 1.967 1.00 0.00 C ATOM 310 C VAL A 22 -5.866 -3.539 1.669 1.00 0.00 C ATOM 311 O VAL A 22 -6.512 -4.286 2.404 1.00 0.00 O ATOM 312 CB VAL A 22 -6.776 -1.288 1.091 1.00 0.00 C ATOM 313 CG1 VAL A 22 -8.192 -1.760 1.381 1.00 0.00 C ATOM 314 CG2 VAL A 22 -6.649 0.212 1.307 1.00 0.00 C ATOM 0 H VAL A 22 -4.309 -0.910 0.974 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.000 -1.874 3.017 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.556 -1.500 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.894 -1.212 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.271 -2.826 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.428 -1.581 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.373 0.732 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.841 0.446 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.642 0.534 1.042 1.00 0.00 H new ATOM 324 N GLN A 23 -5.227 -3.966 0.585 1.00 0.00 N ATOM 325 CA GLN A 23 -5.246 -5.369 0.190 1.00 0.00 C ATOM 326 C GLN A 23 -4.761 -6.263 1.327 1.00 0.00 C ATOM 327 O GLN A 23 -5.336 -7.318 1.588 1.00 0.00 O ATOM 328 CB GLN A 23 -4.377 -5.585 -1.051 1.00 0.00 C ATOM 329 CG GLN A 23 -4.692 -6.870 -1.799 1.00 0.00 C ATOM 330 CD GLN A 23 -3.509 -7.390 -2.590 1.00 0.00 C ATOM 331 OE1 GLN A 23 -2.370 -6.973 -2.372 1.00 0.00 O ATOM 332 NE2 GLN A 23 -3.771 -8.305 -3.515 1.00 0.00 N ATOM 0 H GLN A 23 -4.690 -3.360 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.276 -5.639 -0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.507 -4.740 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.329 -5.596 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.011 -7.631 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.528 -6.696 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.729 -8.622 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.014 -8.691 -4.079 1.00 0.00 H new ATOM 341 N GLU A 24 -3.698 -5.832 1.998 1.00 0.00 N ATOM 342 CA GLU A 24 -3.134 -6.594 3.107 1.00 0.00 C ATOM 343 C GLU A 24 -3.944 -6.380 4.382 1.00 0.00 C ATOM 344 O GLU A 24 -3.543 -6.806 5.465 1.00 0.00 O ATOM 345 CB GLU A 24 -1.676 -6.194 3.341 1.00 0.00 C ATOM 346 CG GLU A 24 -0.731 -6.670 2.251 1.00 0.00 C ATOM 347 CD GLU A 24 -0.560 -8.177 2.245 1.00 0.00 C ATOM 348 OE1 GLU A 24 0.203 -8.690 3.090 1.00 0.00 O ATOM 349 OE2 GLU A 24 -1.187 -8.842 1.396 1.00 0.00 O ATOM 0 H GLU A 24 -3.210 -4.960 1.794 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.175 -7.651 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.614 -5.108 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.346 -6.599 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.109 -6.347 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.242 -6.198 2.387 1.00 0.00 H new ATOM 356 N LYS A 25 -5.087 -5.714 4.245 1.00 0.00 N ATOM 357 CA LYS A 25 -5.954 -5.443 5.385 1.00 0.00 C ATOM 358 C LYS A 25 -7.340 -6.044 5.169 1.00 0.00 C ATOM 359 O LYS A 25 -8.094 -6.245 6.121 1.00 0.00 O ATOM 360 CB LYS A 25 -6.071 -3.934 5.614 1.00 0.00 C ATOM 361 CG LYS A 25 -4.791 -3.295 6.122 1.00 0.00 C ATOM 362 CD LYS A 25 -4.682 -3.392 7.635 1.00 0.00 C ATOM 363 CE LYS A 25 -5.574 -2.371 8.325 1.00 0.00 C ATOM 364 NZ LYS A 25 -6.943 -2.904 8.566 1.00 0.00 N ATOM 0 H LYS A 25 -5.433 -5.353 3.356 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.510 -5.905 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.360 -3.454 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.871 -3.745 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.932 -3.784 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.761 -2.248 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.959 -4.396 7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.647 -3.235 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.125 -2.080 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.637 -1.471 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.255 -2.639 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.599 -2.506 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.932 -3.940 8.480 1.00 0.00 H new ATOM 378 N ILE A 26 -7.666 -6.329 3.913 1.00 0.00 N ATOM 379 CA ILE A 26 -8.960 -6.909 3.574 1.00 0.00 C ATOM 380 C ILE A 26 -9.303 -8.069 4.504 1.00 0.00 C ATOM 381 O ILE A 26 -10.321 -8.061 5.197 1.00 0.00 O ATOM 382 CB ILE A 26 -8.988 -7.409 2.118 1.00 0.00 C ATOM 383 CG1 ILE A 26 -9.485 -6.302 1.185 1.00 0.00 C ATOM 384 CG2 ILE A 26 -9.869 -8.644 1.998 1.00 0.00 C ATOM 385 CD1 ILE A 26 -9.199 -6.569 -0.276 1.00 0.00 C ATOM 0 H ILE A 26 -7.053 -6.168 3.114 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.701 -6.119 3.693 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.974 -7.680 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.560 -6.180 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.018 -5.360 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.878 -8.985 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.476 -9.435 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.885 -8.398 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.579 -5.743 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.123 -6.662 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.688 -7.494 -0.579 1.00 0.00 H new ATOM 397 N PRO A 27 -8.433 -9.089 4.523 1.00 0.00 N ATOM 398 CA PRO A 27 -8.621 -10.273 5.365 1.00 0.00 C ATOM 399 C PRO A 27 -8.442 -9.965 6.848 1.00 0.00 C ATOM 400 O PRO A 27 -8.945 -10.689 7.707 1.00 0.00 O ATOM 401 CB PRO A 27 -7.527 -11.230 4.883 1.00 0.00 C ATOM 402 CG PRO A 27 -6.474 -10.344 4.313 1.00 0.00 C ATOM 403 CD PRO A 27 -7.199 -9.164 3.724 1.00 0.00 C ATOM 0 HA PRO A 27 -9.629 -10.678 5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.137 -11.831 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.909 -11.923 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.772 -10.026 5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.895 -10.866 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.611 -8.250 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.414 -9.312 2.666 1.00 0.00 H new ATOM 411 N GLU A 28 -7.721 -8.886 7.140 1.00 0.00 N ATOM 412 CA GLU A 28 -7.476 -8.484 8.520 1.00 0.00 C ATOM 413 C GLU A 28 -8.742 -7.912 9.153 1.00 0.00 C ATOM 414 O GLU A 28 -9.009 -8.126 10.336 1.00 0.00 O ATOM 415 CB GLU A 28 -6.351 -7.448 8.580 1.00 0.00 C ATOM 416 CG GLU A 28 -5.762 -7.269 9.970 1.00 0.00 C ATOM 417 CD GLU A 28 -4.450 -6.510 9.954 1.00 0.00 C ATOM 418 OE1 GLU A 28 -3.469 -7.032 9.386 1.00 0.00 O ATOM 419 OE2 GLU A 28 -4.405 -5.393 10.510 1.00 0.00 O ATOM 0 H GLU A 28 -7.297 -8.276 6.441 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.177 -9.369 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.558 -7.745 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.733 -6.489 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.477 -6.738 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.606 -8.248 10.423 1.00 0.00 H new ATOM 426 N LEU A 29 -9.517 -7.183 8.357 1.00 0.00 N ATOM 427 CA LEU A 29 -10.755 -6.580 8.838 1.00 0.00 C ATOM 428 C LEU A 29 -11.879 -7.610 8.891 1.00 0.00 C ATOM 429 O LEU A 29 -12.594 -7.712 9.888 1.00 0.00 O ATOM 430 CB LEU A 29 -11.160 -5.412 7.936 1.00 0.00 C ATOM 431 CG LEU A 29 -10.140 -4.281 7.804 1.00 0.00 C ATOM 432 CD1 LEU A 29 -10.410 -3.463 6.551 1.00 0.00 C ATOM 433 CD2 LEU A 29 -10.166 -3.393 9.039 1.00 0.00 C ATOM 0 H LEU A 29 -9.310 -6.995 7.376 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.581 -6.209 9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.369 -5.803 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.091 -4.992 8.316 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.146 -4.721 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.674 -2.663 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.340 -4.107 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.410 -3.033 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.434 -2.593 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.160 -2.961 9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.923 -3.987 9.920 1.00 0.00 H new ATOM 445 N ARG A 30 -12.026 -8.373 7.813 1.00 0.00 N ATOM 446 CA ARG A 30 -13.062 -9.396 7.737 1.00 0.00 C ATOM 447 C ARG A 30 -13.219 -10.110 9.076 1.00 0.00 C ATOM 448 O ARG A 30 -14.335 -10.321 9.551 1.00 0.00 O ATOM 449 CB ARG A 30 -12.727 -10.410 6.642 1.00 0.00 C ATOM 450 CG ARG A 30 -13.264 -10.027 5.272 1.00 0.00 C ATOM 451 CD ARG A 30 -12.919 -11.075 4.226 1.00 0.00 C ATOM 452 NE ARG A 30 -13.912 -12.145 4.174 1.00 0.00 N ATOM 453 CZ ARG A 30 -15.101 -12.016 3.595 1.00 0.00 C ATOM 454 NH1 ARG A 30 -15.442 -10.871 3.021 1.00 0.00 N ATOM 455 NH2 ARG A 30 -15.951 -13.034 3.589 1.00 0.00 N ATOM 0 H ARG A 30 -11.441 -8.302 6.980 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.005 -8.906 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.644 -10.521 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.132 -11.382 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.346 -9.906 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.850 -9.064 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.846 -10.600 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.940 -11.500 4.448 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.680 -13.040 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.791 -10.086 3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.355 -10.775 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.692 -13.917 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.863 -12.934 3.144 1.00 0.00 H new ATOM 469 N ARG A 31 -12.095 -10.482 9.678 1.00 0.00 N ATOM 470 CA ARG A 31 -12.108 -11.174 10.962 1.00 0.00 C ATOM 471 C ARG A 31 -12.589 -10.248 12.074 1.00 0.00 C ATOM 472 O ARG A 31 -13.351 -10.657 12.950 1.00 0.00 O ATOM 473 CB ARG A 31 -10.712 -11.705 11.293 1.00 0.00 C ATOM 474 CG ARG A 31 -10.311 -12.918 10.470 1.00 0.00 C ATOM 475 CD ARG A 31 -8.881 -13.345 10.766 1.00 0.00 C ATOM 476 NE ARG A 31 -7.904 -12.437 10.169 1.00 0.00 N ATOM 477 CZ ARG A 31 -6.591 -12.626 10.232 1.00 0.00 C ATOM 478 NH1 ARG A 31 -6.100 -13.686 10.860 1.00 0.00 N ATOM 479 NH2 ARG A 31 -5.766 -11.756 9.664 1.00 0.00 N ATOM 0 H ARG A 31 -11.163 -10.316 9.298 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.800 -12.013 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.983 -10.911 11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.673 -11.965 12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.990 -13.744 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.411 -12.688 9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.730 -13.382 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.718 -14.354 10.386 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.249 -11.613 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.731 -14.358 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.091 -13.829 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.140 -10.941 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.758 -11.902 9.713 1.00 0.00 H new ATOM 493 N ARG A 32 -12.137 -8.998 12.033 1.00 0.00 N ATOM 494 CA ARG A 32 -12.520 -8.014 13.039 1.00 0.00 C ATOM 495 C ARG A 32 -14.038 -7.942 13.179 1.00 0.00 C ATOM 496 O ARG A 32 -14.568 -7.926 14.289 1.00 0.00 O ATOM 497 CB ARG A 32 -11.965 -6.637 12.672 1.00 0.00 C ATOM 498 CG ARG A 32 -10.452 -6.541 12.783 1.00 0.00 C ATOM 499 CD ARG A 32 -9.955 -5.147 12.430 1.00 0.00 C ATOM 500 NE ARG A 32 -9.954 -4.257 13.588 1.00 0.00 N ATOM 501 CZ ARG A 32 -11.009 -3.545 13.969 1.00 0.00 C ATOM 502 NH1 ARG A 32 -12.143 -3.619 13.286 1.00 0.00 N ATOM 503 NH2 ARG A 32 -10.930 -2.757 15.033 1.00 0.00 N ATOM 0 H ARG A 32 -11.506 -8.643 11.315 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.099 -8.325 13.995 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.262 -6.395 11.652 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.417 -5.887 13.322 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.144 -6.792 13.798 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.990 -7.272 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.946 -5.214 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.586 -4.724 11.648 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.096 -4.178 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.206 -4.223 12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.952 -3.072 13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.059 -2.697 15.560 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.741 -2.211 15.324 1.00 0.00 H new ATOM 517 N GLY A 33 -14.731 -7.898 12.045 1.00 0.00 N ATOM 518 CA GLY A 33 -16.180 -7.828 12.063 1.00 0.00 C ATOM 519 C GLY A 33 -16.714 -6.672 11.241 1.00 0.00 C ATOM 520 O GLY A 33 -17.664 -6.000 11.644 1.00 0.00 O ATOM 0 H GLY A 33 -14.314 -7.910 11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.591 -8.762 11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.523 -7.727 13.093 1.00 0.00 H new ATOM 524 N LEU A 34 -16.103 -6.438 10.085 1.00 0.00 N ATOM 525 CA LEU A 34 -16.522 -5.354 9.204 1.00 0.00 C ATOM 526 C LEU A 34 -16.882 -5.886 7.820 1.00 0.00 C ATOM 527 O LEU A 34 -16.263 -6.818 7.305 1.00 0.00 O ATOM 528 CB LEU A 34 -15.413 -4.307 9.087 1.00 0.00 C ATOM 529 CG LEU A 34 -15.140 -3.477 10.342 1.00 0.00 C ATOM 530 CD1 LEU A 34 -13.847 -2.689 10.191 1.00 0.00 C ATOM 531 CD2 LEU A 34 -16.306 -2.541 10.627 1.00 0.00 C ATOM 0 H LEU A 34 -15.316 -6.985 9.736 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.408 -4.889 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.491 -4.814 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.667 -3.627 8.274 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.031 -4.157 11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.670 -2.105 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.017 -3.378 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.927 -2.019 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.094 -1.958 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.447 -1.868 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.213 -3.126 10.780 1.00 0.00 H new ATOM 543 N PRO A 35 -17.906 -5.279 7.201 1.00 0.00 N ATOM 544 CA PRO A 35 -18.369 -5.672 5.867 1.00 0.00 C ATOM 545 C PRO A 35 -17.367 -5.313 4.776 1.00 0.00 C ATOM 546 O PRO A 35 -17.424 -4.225 4.200 1.00 0.00 O ATOM 547 CB PRO A 35 -19.663 -4.872 5.691 1.00 0.00 C ATOM 548 CG PRO A 35 -19.499 -3.688 6.579 1.00 0.00 C ATOM 549 CD PRO A 35 -18.688 -4.161 7.755 1.00 0.00 C ATOM 0 HA PRO A 35 -18.504 -6.750 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -19.805 -4.572 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -20.535 -5.462 5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.993 -2.876 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -20.467 -3.305 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.043 -3.372 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -19.325 -4.485 8.578 1.00 0.00 H new ATOM 557 N VAL A 36 -16.450 -6.233 4.494 1.00 0.00 N ATOM 558 CA VAL A 36 -15.436 -6.013 3.469 1.00 0.00 C ATOM 559 C VAL A 36 -15.280 -7.240 2.579 1.00 0.00 C ATOM 560 O VAL A 36 -14.848 -8.299 3.033 1.00 0.00 O ATOM 561 CB VAL A 36 -14.071 -5.669 4.096 1.00 0.00 C ATOM 562 CG1 VAL A 36 -13.990 -4.185 4.417 1.00 0.00 C ATOM 563 CG2 VAL A 36 -13.831 -6.507 5.342 1.00 0.00 C ATOM 0 H VAL A 36 -16.388 -7.138 4.961 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.773 -5.171 2.865 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.289 -5.903 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.019 -3.961 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.114 -3.607 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.779 -3.922 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.863 -6.251 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.616 -6.307 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.842 -7.564 5.077 1.00 0.00 H new ATOM 573 N ALA A 37 -15.632 -7.090 1.306 1.00 0.00 N ATOM 574 CA ALA A 37 -15.528 -8.186 0.350 1.00 0.00 C ATOM 575 C ALA A 37 -14.352 -7.978 -0.597 1.00 0.00 C ATOM 576 O ALA A 37 -13.754 -8.940 -1.080 1.00 0.00 O ATOM 577 CB ALA A 37 -16.825 -8.324 -0.436 1.00 0.00 C ATOM 0 H ALA A 37 -15.992 -6.220 0.913 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.353 -9.107 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.734 -9.146 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.647 -8.527 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.024 -7.398 -0.976 1.00 0.00 H new ATOM 583 N ARG A 38 -14.026 -6.717 -0.861 1.00 0.00 N ATOM 584 CA ARG A 38 -12.921 -6.383 -1.753 1.00 0.00 C ATOM 585 C ARG A 38 -12.235 -5.095 -1.310 1.00 0.00 C ATOM 586 O ARG A 38 -12.608 -4.495 -0.301 1.00 0.00 O ATOM 587 CB ARG A 38 -13.424 -6.238 -3.190 1.00 0.00 C ATOM 588 CG ARG A 38 -14.405 -5.092 -3.379 1.00 0.00 C ATOM 589 CD ARG A 38 -15.040 -5.124 -4.761 1.00 0.00 C ATOM 590 NE ARG A 38 -16.092 -6.132 -4.856 1.00 0.00 N ATOM 591 CZ ARG A 38 -16.541 -6.620 -6.008 1.00 0.00 C ATOM 592 NH1 ARG A 38 -16.030 -6.194 -7.155 1.00 0.00 N ATOM 593 NH2 ARG A 38 -17.502 -7.534 -6.013 1.00 0.00 N ATOM 0 H ARG A 38 -14.511 -5.909 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.194 -7.194 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.571 -6.087 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.903 -7.169 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.184 -5.149 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.889 -4.143 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -15.456 -4.143 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.273 -5.329 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.505 -6.481 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.291 -5.491 -7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.376 -6.570 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.897 -7.863 -5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.846 -7.908 -6.898 1.00 0.00 H new ATOM 607 N VAL A 39 -11.229 -4.674 -2.071 1.00 0.00 N ATOM 608 CA VAL A 39 -10.491 -3.456 -1.758 1.00 0.00 C ATOM 609 C VAL A 39 -11.420 -2.249 -1.702 1.00 0.00 C ATOM 610 O VAL A 39 -11.446 -1.519 -0.712 1.00 0.00 O ATOM 611 CB VAL A 39 -9.383 -3.189 -2.794 1.00 0.00 C ATOM 612 CG1 VAL A 39 -8.875 -1.761 -2.677 1.00 0.00 C ATOM 613 CG2 VAL A 39 -8.245 -4.184 -2.625 1.00 0.00 C ATOM 0 H VAL A 39 -10.907 -5.159 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.035 -3.606 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.804 -3.319 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.093 -1.591 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.697 -1.067 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.470 -1.599 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.471 -3.981 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.824 -4.089 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.623 -5.197 -2.765 1.00 0.00 H new ATOM 623 N ALA A 40 -12.183 -2.046 -2.772 1.00 0.00 N ATOM 624 CA ALA A 40 -13.117 -0.929 -2.843 1.00 0.00 C ATOM 625 C ALA A 40 -13.959 -0.835 -1.575 1.00 0.00 C ATOM 626 O ALA A 40 -14.452 0.237 -1.224 1.00 0.00 O ATOM 627 CB ALA A 40 -14.012 -1.066 -4.065 1.00 0.00 C ATOM 0 H ALA A 40 -12.172 -2.640 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.539 -0.009 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.704 -0.225 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.399 -1.074 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.575 -1.997 -4.001 1.00 0.00 H new ATOM 633 N ASP A 41 -14.119 -1.963 -0.893 1.00 0.00 N ATOM 634 CA ASP A 41 -14.902 -2.008 0.336 1.00 0.00 C ATOM 635 C ASP A 41 -14.047 -1.627 1.540 1.00 0.00 C ATOM 636 O ASP A 41 -14.499 -0.915 2.436 1.00 0.00 O ATOM 637 CB ASP A 41 -15.496 -3.403 0.538 1.00 0.00 C ATOM 638 CG ASP A 41 -16.845 -3.561 -0.135 1.00 0.00 C ATOM 639 OD1 ASP A 41 -17.687 -2.648 0.000 1.00 0.00 O ATOM 640 OD2 ASP A 41 -17.060 -4.597 -0.799 1.00 0.00 O ATOM 0 H ASP A 41 -13.717 -2.859 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.713 -1.286 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.807 -4.149 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.600 -3.599 1.605 1.00 0.00 H new ATOM 645 N ALA A 42 -12.808 -2.108 1.554 1.00 0.00 N ATOM 646 CA ALA A 42 -11.888 -1.817 2.647 1.00 0.00 C ATOM 647 C ALA A 42 -11.153 -0.501 2.411 1.00 0.00 C ATOM 648 O ALA A 42 -10.234 -0.151 3.152 1.00 0.00 O ATOM 649 CB ALA A 42 -10.892 -2.956 2.815 1.00 0.00 C ATOM 0 H ALA A 42 -12.418 -2.701 0.821 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.471 -1.719 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.211 -2.726 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.428 -3.879 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.323 -3.080 1.894 1.00 0.00 H new ATOM 655 N ILE A 43 -11.565 0.223 1.377 1.00 0.00 N ATOM 656 CA ILE A 43 -10.946 1.500 1.044 1.00 0.00 C ATOM 657 C ILE A 43 -11.147 2.516 2.164 1.00 0.00 C ATOM 658 O ILE A 43 -10.193 3.052 2.728 1.00 0.00 O ATOM 659 CB ILE A 43 -11.515 2.078 -0.265 1.00 0.00 C ATOM 660 CG1 ILE A 43 -10.685 1.604 -1.460 1.00 0.00 C ATOM 661 CG2 ILE A 43 -11.545 3.599 -0.203 1.00 0.00 C ATOM 662 CD1 ILE A 43 -11.097 2.237 -2.770 1.00 0.00 C ATOM 0 H ILE A 43 -12.325 -0.052 0.755 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.881 1.310 0.914 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.536 1.719 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.634 1.826 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.772 0.521 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.950 3.993 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.174 3.917 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.533 3.977 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.466 1.855 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.139 1.994 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.983 3.319 -2.703 1.00 0.00 H new ATOM 674 N PRO A 44 -12.417 2.787 2.497 1.00 0.00 N ATOM 675 CA PRO A 44 -12.774 3.737 3.555 1.00 0.00 C ATOM 676 C PRO A 44 -12.417 3.220 4.943 1.00 0.00 C ATOM 677 O PRO A 44 -11.924 3.968 5.788 1.00 0.00 O ATOM 678 CB PRO A 44 -14.292 3.877 3.409 1.00 0.00 C ATOM 679 CG PRO A 44 -14.729 2.603 2.773 1.00 0.00 C ATOM 680 CD PRO A 44 -13.604 2.184 1.867 1.00 0.00 C ATOM 0 HA PRO A 44 -12.234 4.679 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.771 4.021 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.553 4.737 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.929 1.840 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.651 2.745 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.519 1.099 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.749 2.550 0.850 1.00 0.00 H new ATOM 688 N TYR A 45 -12.668 1.936 5.175 1.00 0.00 N ATOM 689 CA TYR A 45 -12.376 1.319 6.463 1.00 0.00 C ATOM 690 C TYR A 45 -10.884 1.387 6.773 1.00 0.00 C ATOM 691 O TYR A 45 -10.453 1.071 7.882 1.00 0.00 O ATOM 692 CB TYR A 45 -12.844 -0.137 6.473 1.00 0.00 C ATOM 693 CG TYR A 45 -14.335 -0.295 6.278 1.00 0.00 C ATOM 694 CD1 TYR A 45 -15.237 0.370 7.099 1.00 0.00 C ATOM 695 CD2 TYR A 45 -14.842 -1.109 5.272 1.00 0.00 C ATOM 696 CE1 TYR A 45 -16.600 0.229 6.925 1.00 0.00 C ATOM 697 CE2 TYR A 45 -16.203 -1.256 5.090 1.00 0.00 C ATOM 698 CZ TYR A 45 -17.078 -0.585 5.919 1.00 0.00 C ATOM 699 OH TYR A 45 -18.435 -0.729 5.741 1.00 0.00 O ATOM 0 H TYR A 45 -13.074 1.302 4.487 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.915 1.872 7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.323 -0.683 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.559 -0.595 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.866 1.008 7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.160 -1.636 4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.287 0.753 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.580 -1.893 4.303 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.609 -1.130 4.864 1.00 0.00 H new ATOM 709 N CYS A 46 -10.100 1.803 5.784 1.00 0.00 N ATOM 710 CA CYS A 46 -8.655 1.913 5.949 1.00 0.00 C ATOM 711 C CYS A 46 -8.155 3.274 5.474 1.00 0.00 C ATOM 712 O CYS A 46 -7.003 3.416 5.066 1.00 0.00 O ATOM 713 CB CYS A 46 -7.945 0.799 5.178 1.00 0.00 C ATOM 714 SG CYS A 46 -8.195 -0.852 5.871 1.00 0.00 S ATOM 0 H CYS A 46 -10.441 2.069 4.860 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.428 1.812 7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.296 0.805 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.877 1.013 5.153 1.00 0.00 H new ATOM 0 HG CYS A 46 -7.741 -1.744 5.041 1.00 0.00 H new ATOM 720 N SER A 47 -9.031 4.272 5.528 1.00 0.00 N ATOM 721 CA SER A 47 -8.681 5.621 5.098 1.00 0.00 C ATOM 722 C SER A 47 -7.963 6.377 6.211 1.00 0.00 C ATOM 723 O SER A 47 -7.004 7.107 5.963 1.00 0.00 O ATOM 724 CB SER A 47 -9.936 6.385 4.674 1.00 0.00 C ATOM 725 OG SER A 47 -9.627 7.726 4.335 1.00 0.00 O ATOM 0 H SER A 47 -9.988 4.172 5.865 1.00 0.00 H new ATOM 0 HA SER A 47 -8.008 5.541 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.397 5.888 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.665 6.370 5.484 1.00 0.00 H new ATOM 0 HG SER A 47 -10.446 8.192 4.066 1.00 0.00 H new ATOM 731 N SER A 48 -8.437 6.197 7.441 1.00 0.00 N ATOM 732 CA SER A 48 -7.843 6.865 8.593 1.00 0.00 C ATOM 733 C SER A 48 -6.550 6.173 9.016 1.00 0.00 C ATOM 734 O SER A 48 -5.585 6.826 9.413 1.00 0.00 O ATOM 735 CB SER A 48 -8.831 6.884 9.762 1.00 0.00 C ATOM 736 OG SER A 48 -9.875 7.813 9.531 1.00 0.00 O ATOM 0 H SER A 48 -9.229 5.595 7.664 1.00 0.00 H new ATOM 0 HA SER A 48 -7.608 7.890 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.251 5.888 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.306 7.143 10.682 1.00 0.00 H new ATOM 0 HG SER A 48 -10.494 7.805 10.291 1.00 0.00 H new ATOM 742 N ASP A 49 -6.540 4.847 8.928 1.00 0.00 N ATOM 743 CA ASP A 49 -5.367 4.066 9.300 1.00 0.00 C ATOM 744 C ASP A 49 -4.190 4.383 8.384 1.00 0.00 C ATOM 745 O ASP A 49 -3.044 4.452 8.831 1.00 0.00 O ATOM 746 CB ASP A 49 -5.685 2.571 9.242 1.00 0.00 C ATOM 747 CG ASP A 49 -6.270 2.052 10.542 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.965 2.636 11.604 1.00 0.00 O ATOM 749 OD2 ASP A 49 -7.032 1.064 10.498 1.00 0.00 O ATOM 0 H ASP A 49 -7.331 4.291 8.602 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.092 4.333 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.388 2.383 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.775 2.018 9.010 1.00 0.00 H new ATOM 754 N TRP A 50 -4.479 4.573 7.102 1.00 0.00 N ATOM 755 CA TRP A 50 -3.443 4.882 6.123 1.00 0.00 C ATOM 756 C TRP A 50 -2.801 6.234 6.417 1.00 0.00 C ATOM 757 O TRP A 50 -1.604 6.422 6.202 1.00 0.00 O ATOM 758 CB TRP A 50 -4.031 4.880 4.711 1.00 0.00 C ATOM 759 CG TRP A 50 -3.079 5.388 3.670 1.00 0.00 C ATOM 760 CD1 TRP A 50 -3.124 6.598 3.038 1.00 0.00 C ATOM 761 CD2 TRP A 50 -1.942 4.699 3.141 1.00 0.00 C ATOM 762 NE1 TRP A 50 -2.083 6.703 2.147 1.00 0.00 N ATOM 763 CE2 TRP A 50 -1.343 5.551 2.192 1.00 0.00 C ATOM 764 CE3 TRP A 50 -1.369 3.446 3.376 1.00 0.00 C ATOM 765 CZ2 TRP A 50 -0.202 5.189 1.480 1.00 0.00 C ATOM 766 CZ3 TRP A 50 -0.238 3.087 2.669 1.00 0.00 C ATOM 767 CH2 TRP A 50 0.337 3.956 1.731 1.00 0.00 C ATOM 0 H TRP A 50 -5.422 4.519 6.716 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.673 4.113 6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.333 3.865 4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -4.932 5.493 4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -3.869 7.361 3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.892 7.507 1.550 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.803 2.770 4.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.241 5.857 0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.211 2.120 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.223 3.647 1.196 1.00 0.00 H new ATOM 778 N ALA A 51 -3.604 7.170 6.912 1.00 0.00 N ATOM 779 CA ALA A 51 -3.113 8.503 7.238 1.00 0.00 C ATOM 780 C ALA A 51 -2.181 8.464 8.444 1.00 0.00 C ATOM 781 O ALA A 51 -1.468 9.430 8.723 1.00 0.00 O ATOM 782 CB ALA A 51 -4.277 9.446 7.499 1.00 0.00 C ATOM 0 H ALA A 51 -4.597 7.030 7.096 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.545 8.873 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.895 10.438 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.903 9.506 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.869 9.071 8.334 1.00 0.00 H new ATOM 788 N LEU A 52 -2.190 7.344 9.157 1.00 0.00 N ATOM 789 CA LEU A 52 -1.346 7.180 10.336 1.00 0.00 C ATOM 790 C LEU A 52 0.068 6.768 9.939 1.00 0.00 C ATOM 791 O LEU A 52 1.040 7.122 10.608 1.00 0.00 O ATOM 792 CB LEU A 52 -1.948 6.135 11.277 1.00 0.00 C ATOM 793 CG LEU A 52 -3.342 6.446 11.822 1.00 0.00 C ATOM 794 CD1 LEU A 52 -3.905 5.246 12.567 1.00 0.00 C ATOM 795 CD2 LEU A 52 -3.300 7.667 12.729 1.00 0.00 C ATOM 0 H LEU A 52 -2.772 6.535 8.940 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.295 8.139 10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.990 5.182 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.271 6.003 12.121 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.999 6.665 10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.898 5.487 12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.973 4.396 11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.249 4.994 13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.301 7.874 13.108 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.628 7.476 13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.941 8.527 12.164 1.00 0.00 H new ATOM 807 N LEU A 53 0.177 6.021 8.846 1.00 0.00 N ATOM 808 CA LEU A 53 1.473 5.564 8.357 1.00 0.00 C ATOM 809 C LEU A 53 2.453 6.726 8.243 1.00 0.00 C ATOM 810 O LEU A 53 2.049 7.887 8.171 1.00 0.00 O ATOM 811 CB LEU A 53 1.315 4.878 6.999 1.00 0.00 C ATOM 812 CG LEU A 53 0.967 3.390 7.035 1.00 0.00 C ATOM 813 CD1 LEU A 53 0.320 2.962 5.727 1.00 0.00 C ATOM 814 CD2 LEU A 53 2.210 2.557 7.314 1.00 0.00 C ATOM 0 H LEU A 53 -0.617 5.719 8.281 1.00 0.00 H new ATOM 0 HA LEU A 53 1.872 4.847 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.538 5.399 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.244 5.000 6.443 1.00 0.00 H new ATOM 0 HG LEU A 53 0.254 3.223 7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.079 1.900 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.594 3.535 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.010 3.144 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.943 1.501 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.947 2.729 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.632 2.844 8.277 1.00 0.00 H new ATOM 826 N ARG A 54 3.744 6.407 8.224 1.00 0.00 N ATOM 827 CA ARG A 54 4.781 7.424 8.116 1.00 0.00 C ATOM 828 C ARG A 54 5.345 7.478 6.699 1.00 0.00 C ATOM 829 O ARG A 54 5.389 6.466 6.000 1.00 0.00 O ATOM 830 CB ARG A 54 5.906 7.144 9.113 1.00 0.00 C ATOM 831 CG ARG A 54 5.419 6.580 10.439 1.00 0.00 C ATOM 832 CD ARG A 54 6.549 6.480 11.450 1.00 0.00 C ATOM 833 NE ARG A 54 7.698 5.753 10.918 1.00 0.00 N ATOM 834 CZ ARG A 54 8.809 5.526 11.610 1.00 0.00 C ATOM 835 NH1 ARG A 54 8.921 5.968 12.855 1.00 0.00 N ATOM 836 NH2 ARG A 54 9.812 4.856 11.056 1.00 0.00 N ATOM 0 H ARG A 54 4.095 5.451 8.282 1.00 0.00 H new ATOM 0 HA ARG A 54 4.332 8.390 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.610 6.442 8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.453 8.068 9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.628 7.215 10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.985 5.593 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.860 7.482 11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.188 5.980 12.348 1.00 0.00 H new ATOM 0 HE ARG A 54 7.645 5.400 9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.153 6.484 13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.775 5.792 13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.730 4.515 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.665 4.682 11.588 1.00 0.00 H new ATOM 850 N GLU A 55 5.774 8.665 6.283 1.00 0.00 N ATOM 851 CA GLU A 55 6.333 8.851 4.949 1.00 0.00 C ATOM 852 C GLU A 55 7.128 7.621 4.517 1.00 0.00 C ATOM 853 O GLU A 55 6.902 7.071 3.440 1.00 0.00 O ATOM 854 CB GLU A 55 7.230 10.090 4.915 1.00 0.00 C ATOM 855 CG GLU A 55 7.310 10.746 3.547 1.00 0.00 C ATOM 856 CD GLU A 55 6.009 11.409 3.141 1.00 0.00 C ATOM 857 OE1 GLU A 55 5.447 12.164 3.962 1.00 0.00 O ATOM 858 OE2 GLU A 55 5.552 11.174 2.003 1.00 0.00 O ATOM 0 H GLU A 55 5.745 9.512 6.850 1.00 0.00 H new ATOM 0 HA GLU A 55 5.506 8.992 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.858 10.818 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.234 9.810 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.107 11.490 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.578 9.996 2.803 1.00 0.00 H new ATOM 865 N GLU A 56 8.060 7.199 5.365 1.00 0.00 N ATOM 866 CA GLU A 56 8.889 6.036 5.071 1.00 0.00 C ATOM 867 C GLU A 56 8.028 4.842 4.666 1.00 0.00 C ATOM 868 O GLU A 56 8.273 4.207 3.642 1.00 0.00 O ATOM 869 CB GLU A 56 9.747 5.673 6.284 1.00 0.00 C ATOM 870 CG GLU A 56 10.670 6.793 6.734 1.00 0.00 C ATOM 871 CD GLU A 56 11.835 7.004 5.787 1.00 0.00 C ATOM 872 OE1 GLU A 56 12.761 6.166 5.788 1.00 0.00 O ATOM 873 OE2 GLU A 56 11.821 8.009 5.046 1.00 0.00 O ATOM 0 H GLU A 56 8.260 7.645 6.260 1.00 0.00 H new ATOM 0 HA GLU A 56 9.543 6.290 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.093 5.398 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.346 4.794 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.100 7.718 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.052 6.566 7.729 1.00 0.00 H new ATOM 880 N GLU A 57 7.021 4.544 5.481 1.00 0.00 N ATOM 881 CA GLU A 57 6.125 3.425 5.210 1.00 0.00 C ATOM 882 C GLU A 57 5.414 3.611 3.872 1.00 0.00 C ATOM 883 O GLU A 57 5.439 2.728 3.014 1.00 0.00 O ATOM 884 CB GLU A 57 5.095 3.284 6.332 1.00 0.00 C ATOM 885 CG GLU A 57 5.714 3.181 7.717 1.00 0.00 C ATOM 886 CD GLU A 57 6.763 2.089 7.806 1.00 0.00 C ATOM 887 OE1 GLU A 57 6.441 0.930 7.473 1.00 0.00 O ATOM 888 OE2 GLU A 57 7.905 2.395 8.210 1.00 0.00 O ATOM 0 H GLU A 57 6.805 5.061 6.333 1.00 0.00 H new ATOM 0 HA GLU A 57 6.724 2.516 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.423 4.142 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.488 2.398 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.166 4.137 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.929 2.987 8.448 1.00 0.00 H new ATOM 895 N LYS A 58 4.779 4.765 3.702 1.00 0.00 N ATOM 896 CA LYS A 58 4.060 5.069 2.470 1.00 0.00 C ATOM 897 C LYS A 58 4.955 4.863 1.252 1.00 0.00 C ATOM 898 O LYS A 58 4.535 4.281 0.253 1.00 0.00 O ATOM 899 CB LYS A 58 3.544 6.510 2.498 1.00 0.00 C ATOM 900 CG LYS A 58 2.612 6.799 3.662 1.00 0.00 C ATOM 901 CD LYS A 58 1.769 8.037 3.407 1.00 0.00 C ATOM 902 CE LYS A 58 0.530 8.060 4.289 1.00 0.00 C ATOM 903 NZ LYS A 58 -0.398 9.163 3.913 1.00 0.00 N ATOM 0 H LYS A 58 4.747 5.506 4.402 1.00 0.00 H new ATOM 0 HA LYS A 58 3.213 4.387 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.394 7.191 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.021 6.718 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.960 5.942 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.196 6.937 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.366 8.930 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.471 8.066 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.010 7.105 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.828 8.175 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.230 9.145 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.090 10.076 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.703 9.039 2.926 1.00 0.00 H new ATOM 917 N GLU A 59 6.192 5.342 1.345 1.00 0.00 N ATOM 918 CA GLU A 59 7.147 5.208 0.250 1.00 0.00 C ATOM 919 C GLU A 59 7.443 3.739 -0.036 1.00 0.00 C ATOM 920 O GLU A 59 7.523 3.324 -1.192 1.00 0.00 O ATOM 921 CB GLU A 59 8.444 5.947 0.583 1.00 0.00 C ATOM 922 CG GLU A 59 9.205 6.423 -0.643 1.00 0.00 C ATOM 923 CD GLU A 59 10.488 7.147 -0.290 1.00 0.00 C ATOM 924 OE1 GLU A 59 10.428 8.366 -0.024 1.00 0.00 O ATOM 925 OE2 GLU A 59 11.553 6.495 -0.277 1.00 0.00 O ATOM 0 H GLU A 59 6.556 5.826 2.166 1.00 0.00 H new ATOM 0 HA GLU A 59 6.704 5.651 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.212 6.806 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.088 5.289 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.438 5.567 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.567 7.087 -1.227 1.00 0.00 H new ATOM 932 N LYS A 60 7.607 2.956 1.026 1.00 0.00 N ATOM 933 CA LYS A 60 7.895 1.533 0.891 1.00 0.00 C ATOM 934 C LYS A 60 6.773 0.820 0.143 1.00 0.00 C ATOM 935 O LYS A 60 7.023 0.060 -0.792 1.00 0.00 O ATOM 936 CB LYS A 60 8.087 0.899 2.271 1.00 0.00 C ATOM 937 CG LYS A 60 7.898 -0.608 2.278 1.00 0.00 C ATOM 938 CD LYS A 60 7.936 -1.168 3.690 1.00 0.00 C ATOM 939 CE LYS A 60 8.205 -2.665 3.690 1.00 0.00 C ATOM 940 NZ LYS A 60 9.663 -2.966 3.707 1.00 0.00 N ATOM 0 H LYS A 60 7.545 3.284 1.990 1.00 0.00 H new ATOM 0 HA LYS A 60 8.815 1.426 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.088 1.133 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.382 1.349 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.945 -0.858 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.679 -1.076 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.710 -0.658 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.987 -0.968 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.730 -3.119 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.751 -3.116 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.805 -3.996 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.112 -2.554 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.092 -2.558 4.562 1.00 0.00 H new ATOM 954 N TYR A 61 5.537 1.070 0.561 1.00 0.00 N ATOM 955 CA TYR A 61 4.377 0.451 -0.068 1.00 0.00 C ATOM 956 C TYR A 61 4.269 0.861 -1.535 1.00 0.00 C ATOM 957 O TYR A 61 3.889 0.061 -2.388 1.00 0.00 O ATOM 958 CB TYR A 61 3.099 0.838 0.676 1.00 0.00 C ATOM 959 CG TYR A 61 2.797 -0.049 1.863 1.00 0.00 C ATOM 960 CD1 TYR A 61 3.298 0.251 3.125 1.00 0.00 C ATOM 961 CD2 TYR A 61 2.014 -1.188 1.724 1.00 0.00 C ATOM 962 CE1 TYR A 61 3.026 -0.556 4.212 1.00 0.00 C ATOM 963 CE2 TYR A 61 1.737 -2.000 2.806 1.00 0.00 C ATOM 964 CZ TYR A 61 2.245 -1.681 4.047 1.00 0.00 C ATOM 965 OH TYR A 61 1.970 -2.489 5.127 1.00 0.00 O ATOM 0 H TYR A 61 5.313 1.697 1.333 1.00 0.00 H new ATOM 0 HA TYR A 61 4.504 -0.631 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.185 1.870 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.259 0.801 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.911 1.131 3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.615 -1.443 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.422 -0.308 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.125 -2.881 2.680 1.00 0.00 H new ATOM 0 HH TYR A 61 1.407 -3.238 4.840 1.00 0.00 H new ATOM 975 N ALA A 62 4.607 2.115 -1.817 1.00 0.00 N ATOM 976 CA ALA A 62 4.552 2.632 -3.179 1.00 0.00 C ATOM 977 C ALA A 62 5.662 2.037 -4.038 1.00 0.00 C ATOM 978 O ALA A 62 5.435 1.660 -5.187 1.00 0.00 O ATOM 979 CB ALA A 62 4.644 4.151 -3.171 1.00 0.00 C ATOM 0 H ALA A 62 4.922 2.791 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 62 3.596 2.339 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.602 4.523 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.812 4.563 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.585 4.456 -2.712 1.00 0.00 H new ATOM 985 N GLU A 63 6.863 1.958 -3.473 1.00 0.00 N ATOM 986 CA GLU A 63 8.009 1.410 -4.190 1.00 0.00 C ATOM 987 C GLU A 63 7.776 -0.053 -4.550 1.00 0.00 C ATOM 988 O GLU A 63 7.954 -0.456 -5.700 1.00 0.00 O ATOM 989 CB GLU A 63 9.278 1.545 -3.345 1.00 0.00 C ATOM 990 CG GLU A 63 10.560 1.427 -4.152 1.00 0.00 C ATOM 991 CD GLU A 63 11.049 -0.004 -4.266 1.00 0.00 C ATOM 992 OE1 GLU A 63 10.214 -0.895 -4.534 1.00 0.00 O ATOM 993 OE2 GLU A 63 12.262 -0.234 -4.089 1.00 0.00 O ATOM 0 H GLU A 63 7.068 2.266 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 63 8.134 1.977 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.266 2.509 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.273 0.777 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.394 1.831 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.335 2.036 -3.686 1.00 0.00 H new ATOM 1000 N MET A 64 7.378 -0.845 -3.559 1.00 0.00 N ATOM 1001 CA MET A 64 7.121 -2.264 -3.772 1.00 0.00 C ATOM 1002 C MET A 64 5.947 -2.467 -4.724 1.00 0.00 C ATOM 1003 O MET A 64 5.927 -3.418 -5.505 1.00 0.00 O ATOM 1004 CB MET A 64 6.836 -2.958 -2.438 1.00 0.00 C ATOM 1005 CG MET A 64 5.586 -2.447 -1.741 1.00 0.00 C ATOM 1006 SD MET A 64 5.437 -3.049 -0.049 1.00 0.00 S ATOM 1007 CE MET A 64 4.969 -4.754 -0.336 1.00 0.00 C ATOM 0 H MET A 64 7.227 -0.528 -2.601 1.00 0.00 H new ATOM 0 HA MET A 64 8.011 -2.705 -4.221 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.734 -4.029 -2.610 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.692 -2.822 -1.777 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.599 -1.357 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.708 -2.752 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.822 -5.257 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.042 -4.785 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.758 -5.259 -0.894 1.00 0.00 H new ATOM 1017 N ALA A 65 4.971 -1.568 -4.653 1.00 0.00 N ATOM 1018 CA ALA A 65 3.795 -1.648 -5.511 1.00 0.00 C ATOM 1019 C ALA A 65 4.173 -1.479 -6.978 1.00 0.00 C ATOM 1020 O ALA A 65 3.893 -2.348 -7.805 1.00 0.00 O ATOM 1021 CB ALA A 65 2.771 -0.598 -5.103 1.00 0.00 C ATOM 0 H ALA A 65 4.971 -0.776 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 65 3.353 -2.637 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.898 -0.669 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.469 -0.767 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.211 0.395 -5.195 1.00 0.00 H new ATOM 1027 N ARG A 66 4.810 -0.357 -7.295 1.00 0.00 N ATOM 1028 CA ARG A 66 5.224 -0.074 -8.664 1.00 0.00 C ATOM 1029 C ARG A 66 6.179 -1.147 -9.176 1.00 0.00 C ATOM 1030 O ARG A 66 5.916 -1.794 -10.190 1.00 0.00 O ATOM 1031 CB ARG A 66 5.894 1.299 -8.743 1.00 0.00 C ATOM 1032 CG ARG A 66 7.041 1.474 -7.761 1.00 0.00 C ATOM 1033 CD ARG A 66 7.352 2.944 -7.525 1.00 0.00 C ATOM 1034 NE ARG A 66 6.262 3.632 -6.839 1.00 0.00 N ATOM 1035 CZ ARG A 66 6.365 4.860 -6.342 1.00 0.00 C ATOM 1036 NH1 ARG A 66 7.503 5.531 -6.455 1.00 0.00 N ATOM 1037 NH2 ARG A 66 5.328 5.419 -5.731 1.00 0.00 N ATOM 0 H ARG A 66 5.051 0.371 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 66 4.334 -0.074 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.267 1.454 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.146 2.070 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.787 0.998 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.929 0.970 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.264 3.031 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.544 3.432 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 66 5.373 3.143 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.302 5.105 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.579 6.474 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.451 4.906 -5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.408 6.362 -5.350 1.00 0.00 H new ATOM 1051 N GLU A 67 7.288 -1.333 -8.468 1.00 0.00 N ATOM 1052 CA GLU A 67 8.283 -2.328 -8.852 1.00 0.00 C ATOM 1053 C GLU A 67 7.626 -3.681 -9.110 1.00 0.00 C ATOM 1054 O GLU A 67 8.044 -4.426 -9.998 1.00 0.00 O ATOM 1055 CB GLU A 67 9.347 -2.465 -7.762 1.00 0.00 C ATOM 1056 CG GLU A 67 10.257 -1.253 -7.643 1.00 0.00 C ATOM 1057 CD GLU A 67 10.937 -0.904 -8.951 1.00 0.00 C ATOM 1058 OE1 GLU A 67 11.733 -1.731 -9.445 1.00 0.00 O ATOM 1059 OE2 GLU A 67 10.676 0.196 -9.481 1.00 0.00 O ATOM 0 H GLU A 67 7.521 -0.808 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 67 8.759 -1.992 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.854 -2.634 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.955 -3.346 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.674 -0.398 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.015 -1.446 -6.884 1.00 0.00 H new ATOM 1066 N TRP A 68 6.597 -3.991 -8.331 1.00 0.00 N ATOM 1067 CA TRP A 68 5.884 -5.255 -8.474 1.00 0.00 C ATOM 1068 C TRP A 68 5.122 -5.302 -9.794 1.00 0.00 C ATOM 1069 O TRP A 68 5.271 -6.242 -10.574 1.00 0.00 O ATOM 1070 CB TRP A 68 4.917 -5.454 -7.306 1.00 0.00 C ATOM 1071 CG TRP A 68 4.088 -6.696 -7.426 1.00 0.00 C ATOM 1072 CD1 TRP A 68 4.492 -7.978 -7.183 1.00 0.00 C ATOM 1073 CD2 TRP A 68 2.714 -6.775 -7.819 1.00 0.00 C ATOM 1074 NE1 TRP A 68 3.452 -8.849 -7.403 1.00 0.00 N ATOM 1075 CE2 TRP A 68 2.350 -8.136 -7.792 1.00 0.00 C ATOM 1076 CE3 TRP A 68 1.755 -5.829 -8.189 1.00 0.00 C ATOM 1077 CZ2 TRP A 68 1.069 -8.570 -8.123 1.00 0.00 C ATOM 1078 CZ3 TRP A 68 0.483 -6.261 -8.517 1.00 0.00 C ATOM 1079 CH2 TRP A 68 0.150 -7.621 -8.482 1.00 0.00 C ATOM 0 H TRP A 68 6.237 -3.385 -7.594 1.00 0.00 H new ATOM 0 HA TRP A 68 6.618 -6.061 -8.470 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.485 -5.493 -6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.256 -4.590 -7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.483 -8.265 -6.865 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.494 -9.862 -7.294 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.003 -4.778 -8.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.810 -9.618 -8.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.266 -5.538 -8.805 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.852 -7.927 -8.744 1.00 0.00 H new ATOM 1090 N ARG A 69 4.304 -4.282 -10.037 1.00 0.00 N ATOM 1091 CA ARG A 69 3.518 -4.209 -11.263 1.00 0.00 C ATOM 1092 C ARG A 69 4.421 -4.259 -12.492 1.00 0.00 C ATOM 1093 O ARG A 69 4.091 -4.896 -13.492 1.00 0.00 O ATOM 1094 CB ARG A 69 2.683 -2.927 -11.282 1.00 0.00 C ATOM 1095 CG ARG A 69 1.310 -3.086 -10.651 1.00 0.00 C ATOM 1096 CD ARG A 69 0.270 -3.510 -11.677 1.00 0.00 C ATOM 1097 NE ARG A 69 0.118 -2.522 -12.742 1.00 0.00 N ATOM 1098 CZ ARG A 69 -0.945 -2.456 -13.536 1.00 0.00 C ATOM 1099 NH1 ARG A 69 -1.944 -3.315 -13.385 1.00 0.00 N ATOM 1100 NH2 ARG A 69 -1.011 -1.529 -14.482 1.00 0.00 N ATOM 0 H ARG A 69 4.169 -3.496 -9.401 1.00 0.00 H new ATOM 0 HA ARG A 69 2.851 -5.070 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.226 -2.142 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.563 -2.596 -12.314 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.359 -3.827 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.008 -2.144 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.557 -4.468 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.689 -3.659 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 69 0.869 -1.846 -12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.897 -4.029 -12.658 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.759 -3.262 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.245 -0.866 -14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.828 -1.479 -15.091 1.00 0.00 H new ATOM 1114 N ALA A 70 5.562 -3.582 -12.410 1.00 0.00 N ATOM 1115 CA ALA A 70 6.513 -3.551 -13.514 1.00 0.00 C ATOM 1116 C ALA A 70 7.138 -4.924 -13.740 1.00 0.00 C ATOM 1117 O ALA A 70 7.175 -5.423 -14.864 1.00 0.00 O ATOM 1118 CB ALA A 70 7.594 -2.514 -13.251 1.00 0.00 C ATOM 0 H ALA A 70 5.850 -3.048 -11.590 1.00 0.00 H new ATOM 0 HA ALA A 70 5.972 -3.274 -14.419 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.297 -2.502 -14.084 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.137 -1.530 -13.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.124 -2.766 -12.332 1.00 0.00 H new ATOM 1124 N ALA A 71 7.629 -5.529 -12.662 1.00 0.00 N ATOM 1125 CA ALA A 71 8.252 -6.844 -12.743 1.00 0.00 C ATOM 1126 C ALA A 71 7.250 -7.898 -13.201 1.00 0.00 C ATOM 1127 O ALA A 71 7.615 -8.864 -13.872 1.00 0.00 O ATOM 1128 CB ALA A 71 8.847 -7.229 -11.396 1.00 0.00 C ATOM 0 H ALA A 71 7.607 -5.129 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 71 9.052 -6.796 -13.481 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.309 -8.213 -11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.600 -6.495 -11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.059 -7.254 -10.644 1.00 0.00 H new ATOM 1134 N GLN A 72 5.987 -7.707 -12.835 1.00 0.00 N ATOM 1135 CA GLN A 72 4.934 -8.644 -13.209 1.00 0.00 C ATOM 1136 C GLN A 72 4.427 -8.359 -14.618 1.00 0.00 C ATOM 1137 O GLN A 72 3.852 -9.230 -15.270 1.00 0.00 O ATOM 1138 CB GLN A 72 3.776 -8.565 -12.212 1.00 0.00 C ATOM 1139 CG GLN A 72 4.144 -9.033 -10.813 1.00 0.00 C ATOM 1140 CD GLN A 72 4.548 -10.494 -10.774 1.00 0.00 C ATOM 1141 OE1 GLN A 72 3.960 -11.331 -11.459 1.00 0.00 O ATOM 1142 NE2 GLN A 72 5.557 -10.808 -9.969 1.00 0.00 N ATOM 0 H GLN A 72 5.668 -6.913 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 72 5.353 -9.650 -13.190 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.422 -7.535 -12.160 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.947 -9.169 -12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.964 -8.423 -10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.296 -8.877 -10.147 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.016 -10.082 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.873 -11.775 -9.901 1.00 0.00 H new ATOM 1151 N GLY A 73 4.645 -7.133 -15.083 1.00 0.00 N ATOM 1152 CA GLY A 73 4.204 -6.755 -16.414 1.00 0.00 C ATOM 1153 C GLY A 73 5.219 -7.107 -17.483 1.00 0.00 C ATOM 1154 O GLY A 73 4.860 -7.604 -18.551 1.00 0.00 O ATOM 0 H GLY A 73 5.119 -6.395 -14.563 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.260 -7.253 -16.636 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.012 -5.682 -16.439 1.00 0.00 H new ATOM 1158 N LYS A 74 6.490 -6.847 -17.199 1.00 0.00 N ATOM 1159 CA LYS A 74 7.562 -7.138 -18.144 1.00 0.00 C ATOM 1160 C LYS A 74 7.093 -6.928 -19.580 1.00 0.00 C ATOM 1161 O LYS A 74 7.477 -7.671 -20.483 1.00 0.00 O ATOM 1162 CB LYS A 74 8.053 -8.576 -17.961 1.00 0.00 C ATOM 1163 CG LYS A 74 9.519 -8.767 -18.308 1.00 0.00 C ATOM 1164 CD LYS A 74 10.410 -8.548 -17.097 1.00 0.00 C ATOM 1165 CE LYS A 74 11.862 -8.342 -17.503 1.00 0.00 C ATOM 1166 NZ LYS A 74 12.057 -7.059 -18.233 1.00 0.00 N ATOM 0 H LYS A 74 6.804 -6.435 -16.320 1.00 0.00 H new ATOM 0 HA LYS A 74 8.385 -6.451 -17.946 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.891 -8.877 -16.926 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.452 -9.238 -18.584 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.674 -9.773 -18.698 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.801 -8.072 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.060 -7.679 -16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.336 -9.407 -16.429 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.493 -8.354 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.184 -9.171 -18.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.060 -6.788 -18.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.766 -7.176 -19.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.481 -6.316 -17.789 1.00 0.00 H new ATOM 1180 N ASP A 75 6.262 -5.912 -19.783 1.00 0.00 N ATOM 1181 CA ASP A 75 5.742 -5.601 -21.110 1.00 0.00 C ATOM 1182 C ASP A 75 6.338 -4.299 -21.636 1.00 0.00 C ATOM 1183 O ASP A 75 6.602 -3.361 -20.884 1.00 0.00 O ATOM 1184 CB ASP A 75 4.217 -5.502 -21.074 1.00 0.00 C ATOM 1185 CG ASP A 75 3.562 -6.800 -20.646 1.00 0.00 C ATOM 1186 OD1 ASP A 75 4.024 -7.873 -21.089 1.00 0.00 O ATOM 1187 OD2 ASP A 75 2.587 -6.744 -19.867 1.00 0.00 O ATOM 0 H ASP A 75 5.934 -5.289 -19.045 1.00 0.00 H new ATOM 0 HA ASP A 75 6.029 -6.408 -21.784 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.924 -4.707 -20.388 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.851 -5.222 -22.062 1.00 0.00 H new ATOM 1192 N PRO A 76 6.556 -4.239 -22.958 1.00 0.00 N ATOM 1193 CA PRO A 76 7.123 -3.057 -23.614 1.00 0.00 C ATOM 1194 C PRO A 76 6.156 -1.878 -23.620 1.00 0.00 C ATOM 1195 O PRO A 76 6.468 -0.810 -24.143 1.00 0.00 O ATOM 1196 CB PRO A 76 7.389 -3.538 -25.043 1.00 0.00 C ATOM 1197 CG PRO A 76 6.425 -4.654 -25.253 1.00 0.00 C ATOM 1198 CD PRO A 76 6.265 -5.320 -23.915 1.00 0.00 C ATOM 0 HA PRO A 76 8.012 -2.692 -23.100 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.231 -2.738 -25.766 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.418 -3.876 -25.162 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.469 -4.280 -25.620 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.799 -5.358 -25.997 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.258 -5.715 -23.781 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.954 -6.157 -23.798 1.00 0.00 H new ATOM 1206 N GLY A 77 4.979 -2.080 -23.035 1.00 0.00 N ATOM 1207 CA GLY A 77 3.984 -1.025 -22.985 1.00 0.00 C ATOM 1208 C GLY A 77 3.803 -0.334 -24.322 1.00 0.00 C ATOM 1209 O GLY A 77 4.380 0.723 -24.582 1.00 0.00 O ATOM 0 H GLY A 77 4.697 -2.956 -22.595 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.030 -1.444 -22.664 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.277 -0.289 -22.236 1.00 0.00 H new ATOM 1213 N PRO A 78 2.988 -0.937 -25.199 1.00 0.00 N ATOM 1214 CA PRO A 78 2.715 -0.391 -26.533 1.00 0.00 C ATOM 1215 C PRO A 78 1.875 0.880 -26.478 1.00 0.00 C ATOM 1216 O PRO A 78 0.648 0.822 -26.403 1.00 0.00 O ATOM 1217 CB PRO A 78 1.939 -1.516 -27.223 1.00 0.00 C ATOM 1218 CG PRO A 78 1.309 -2.280 -26.111 1.00 0.00 C ATOM 1219 CD PRO A 78 2.268 -2.199 -24.957 1.00 0.00 C ATOM 0 HA PRO A 78 3.630 -0.104 -27.052 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.188 -1.118 -27.905 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.601 -2.150 -27.813 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.341 -1.855 -25.845 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.133 -3.316 -26.400 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.745 -2.186 -24.001 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.947 -3.052 -24.938 1.00 0.00 H new ATOM 1227 N SER A 79 2.545 2.027 -26.513 1.00 0.00 N ATOM 1228 CA SER A 79 1.860 3.314 -26.464 1.00 0.00 C ATOM 1229 C SER A 79 1.158 3.504 -25.123 1.00 0.00 C ATOM 1230 O SER A 79 0.007 3.939 -25.070 1.00 0.00 O ATOM 1231 CB SER A 79 0.845 3.419 -27.604 1.00 0.00 C ATOM 1232 OG SER A 79 0.624 4.771 -27.967 1.00 0.00 O ATOM 0 H SER A 79 3.561 2.092 -26.575 1.00 0.00 H new ATOM 0 HA SER A 79 2.606 4.100 -26.579 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.205 2.861 -28.468 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.097 2.962 -27.300 1.00 0.00 H new ATOM 0 HG SER A 79 -0.027 4.811 -28.698 1.00 0.00 H new ATOM 1238 N GLU A 80 1.859 3.177 -24.043 1.00 0.00 N ATOM 1239 CA GLU A 80 1.302 3.310 -22.701 1.00 0.00 C ATOM 1240 C GLU A 80 1.265 4.774 -22.272 1.00 0.00 C ATOM 1241 O GLU A 80 2.168 5.550 -22.588 1.00 0.00 O ATOM 1242 CB GLU A 80 2.123 2.494 -21.701 1.00 0.00 C ATOM 1243 CG GLU A 80 3.487 3.094 -21.400 1.00 0.00 C ATOM 1244 CD GLU A 80 4.504 2.804 -22.488 1.00 0.00 C ATOM 1245 OE1 GLU A 80 4.492 3.513 -23.514 1.00 0.00 O ATOM 1246 OE2 GLU A 80 5.310 1.867 -22.311 1.00 0.00 O ATOM 0 H GLU A 80 2.813 2.818 -24.070 1.00 0.00 H new ATOM 0 HA GLU A 80 0.281 2.928 -22.718 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.562 2.404 -20.771 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.257 1.485 -22.091 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.387 4.173 -21.279 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.852 2.700 -20.452 1.00 0.00 H new ATOM 1253 N LYS A 81 0.214 5.147 -21.550 1.00 0.00 N ATOM 1254 CA LYS A 81 0.056 6.516 -21.076 1.00 0.00 C ATOM 1255 C LYS A 81 0.567 6.658 -19.645 1.00 0.00 C ATOM 1256 O LYS A 81 0.544 5.702 -18.872 1.00 0.00 O ATOM 1257 CB LYS A 81 -1.414 6.937 -21.149 1.00 0.00 C ATOM 1258 CG LYS A 81 -1.846 7.400 -22.529 1.00 0.00 C ATOM 1259 CD LYS A 81 -1.287 8.774 -22.857 1.00 0.00 C ATOM 1260 CE LYS A 81 -1.754 9.255 -24.222 1.00 0.00 C ATOM 1261 NZ LYS A 81 -0.937 8.675 -25.323 1.00 0.00 N ATOM 0 H LYS A 81 -0.543 4.518 -21.280 1.00 0.00 H new ATOM 0 HA LYS A 81 0.646 7.168 -21.720 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.039 6.098 -20.844 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.589 7.741 -20.434 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.510 6.682 -23.277 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.934 7.427 -22.580 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.598 9.486 -22.093 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.198 8.739 -22.835 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.800 8.984 -24.364 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.698 10.343 -24.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.286 9.027 -26.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.057 8.954 -25.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.010 7.638 -25.300 1.00 0.00 H new ATOM 1275 N GLN A 82 1.025 7.857 -19.302 1.00 0.00 N ATOM 1276 CA GLN A 82 1.540 8.124 -17.964 1.00 0.00 C ATOM 1277 C GLN A 82 1.884 9.599 -17.797 1.00 0.00 C ATOM 1278 O GLN A 82 2.352 10.249 -18.733 1.00 0.00 O ATOM 1279 CB GLN A 82 2.776 7.265 -17.690 1.00 0.00 C ATOM 1280 CG GLN A 82 3.987 7.659 -18.521 1.00 0.00 C ATOM 1281 CD GLN A 82 3.899 7.166 -19.952 1.00 0.00 C ATOM 1282 OE1 GLN A 82 4.246 6.023 -20.250 1.00 0.00 O ATOM 1283 NE2 GLN A 82 3.431 8.029 -20.847 1.00 0.00 N ATOM 0 H GLN A 82 1.050 8.659 -19.932 1.00 0.00 H new ATOM 0 HA GLN A 82 0.762 7.868 -17.245 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.032 7.338 -16.633 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.534 6.221 -17.888 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.086 8.745 -18.520 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.888 7.257 -18.057 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.155 8.967 -20.556 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.348 7.754 -21.826 1.00 0.00 H new ATOM 1292 N LYS A 83 1.651 10.124 -16.599 1.00 0.00 N ATOM 1293 CA LYS A 83 1.937 11.524 -16.307 1.00 0.00 C ATOM 1294 C LYS A 83 3.435 11.804 -16.397 1.00 0.00 C ATOM 1295 O LYS A 83 4.268 10.972 -16.036 1.00 0.00 O ATOM 1296 CB LYS A 83 1.421 11.892 -14.914 1.00 0.00 C ATOM 1297 CG LYS A 83 -0.064 12.206 -14.879 1.00 0.00 C ATOM 1298 CD LYS A 83 -0.483 12.772 -13.532 1.00 0.00 C ATOM 1299 CE LYS A 83 -1.718 13.651 -13.658 1.00 0.00 C ATOM 1300 NZ LYS A 83 -2.951 12.847 -13.883 1.00 0.00 N ATOM 0 H LYS A 83 1.264 9.601 -15.814 1.00 0.00 H new ATOM 0 HA LYS A 83 1.426 12.136 -17.050 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.626 11.068 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.975 12.756 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.304 12.921 -15.666 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.633 11.300 -15.087 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.686 11.955 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.337 13.353 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.833 14.247 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.584 14.349 -14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.770 13.483 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.852 12.297 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.093 12.198 -13.083 1.00 0.00 H new ATOM 1314 N PRO A 84 3.785 13.001 -16.887 1.00 0.00 N ATOM 1315 CA PRO A 84 5.183 13.418 -17.033 1.00 0.00 C ATOM 1316 C PRO A 84 5.859 13.662 -15.688 1.00 0.00 C ATOM 1317 O PRO A 84 5.241 13.507 -14.635 1.00 0.00 O ATOM 1318 CB PRO A 84 5.083 14.724 -17.826 1.00 0.00 C ATOM 1319 CG PRO A 84 3.722 15.249 -17.521 1.00 0.00 C ATOM 1320 CD PRO A 84 2.845 14.041 -17.338 1.00 0.00 C ATOM 0 HA PRO A 84 5.788 12.653 -17.520 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.857 15.430 -17.525 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.210 14.549 -18.894 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.733 15.863 -16.621 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.355 15.878 -18.332 1.00 0.00 H new ATOM 0 HD2 PRO A 84 2.062 14.221 -16.602 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.350 13.759 -18.267 1.00 0.00 H new ATOM 1328 N VAL A 85 7.132 14.045 -15.731 1.00 0.00 N ATOM 1329 CA VAL A 85 7.890 14.312 -14.515 1.00 0.00 C ATOM 1330 C VAL A 85 9.105 15.185 -14.807 1.00 0.00 C ATOM 1331 O VAL A 85 9.975 14.815 -15.596 1.00 0.00 O ATOM 1332 CB VAL A 85 8.359 13.005 -13.849 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.358 12.280 -14.737 1.00 0.00 C ATOM 1334 CG2 VAL A 85 8.961 13.291 -12.481 1.00 0.00 C ATOM 0 H VAL A 85 7.659 14.177 -16.594 1.00 0.00 H new ATOM 0 HA VAL A 85 7.222 14.839 -13.834 1.00 0.00 H new ATOM 0 HB VAL A 85 7.493 12.357 -13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.677 11.359 -14.249 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.890 12.041 -15.692 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.224 12.919 -14.908 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.287 12.357 -12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.816 13.958 -12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.212 13.763 -11.845 1.00 0.00 H new ATOM 1344 N PHE A 86 9.160 16.347 -14.164 1.00 0.00 N ATOM 1345 CA PHE A 86 10.268 17.275 -14.355 1.00 0.00 C ATOM 1346 C PHE A 86 10.613 17.986 -13.050 1.00 0.00 C ATOM 1347 O PHE A 86 9.784 18.693 -12.476 1.00 0.00 O ATOM 1348 CB PHE A 86 9.921 18.303 -15.434 1.00 0.00 C ATOM 1349 CG PHE A 86 10.762 19.547 -15.369 1.00 0.00 C ATOM 1350 CD1 PHE A 86 12.078 19.532 -15.801 1.00 0.00 C ATOM 1351 CD2 PHE A 86 10.236 20.730 -14.876 1.00 0.00 C ATOM 1352 CE1 PHE A 86 12.855 20.673 -15.744 1.00 0.00 C ATOM 1353 CE2 PHE A 86 11.008 21.875 -14.817 1.00 0.00 C ATOM 1354 CZ PHE A 86 12.319 21.846 -15.251 1.00 0.00 C ATOM 0 H PHE A 86 8.450 16.668 -13.506 1.00 0.00 H new ATOM 0 HA PHE A 86 11.138 16.702 -14.677 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.042 17.843 -16.415 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.871 18.578 -15.338 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.502 18.617 -16.187 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.212 20.758 -14.534 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.880 20.647 -16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.586 22.792 -14.432 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.924 22.740 -15.205 1.00 0.00 H new ATOM 1364 N THR A 87 11.844 17.794 -12.585 1.00 0.00 N ATOM 1365 CA THR A 87 12.298 18.414 -11.347 1.00 0.00 C ATOM 1366 C THR A 87 13.473 19.352 -11.602 1.00 0.00 C ATOM 1367 O THR A 87 14.376 19.035 -12.375 1.00 0.00 O ATOM 1368 CB THR A 87 12.716 17.356 -10.309 1.00 0.00 C ATOM 1369 OG1 THR A 87 13.508 16.341 -10.935 1.00 0.00 O ATOM 1370 CG2 THR A 87 11.495 16.724 -9.658 1.00 0.00 C ATOM 0 H THR A 87 12.544 17.214 -13.048 1.00 0.00 H new ATOM 0 HA THR A 87 11.458 18.986 -10.953 1.00 0.00 H new ATOM 0 HB THR A 87 13.305 17.851 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.389 16.304 -10.508 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.816 15.980 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.910 17.495 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.883 16.243 -10.422 1.00 0.00 H new ATOM 1378 N SER A 88 13.455 20.508 -10.944 1.00 0.00 N ATOM 1379 CA SER A 88 14.518 21.493 -11.102 1.00 0.00 C ATOM 1380 C SER A 88 15.761 21.080 -10.320 1.00 0.00 C ATOM 1381 O SER A 88 15.709 20.192 -9.472 1.00 0.00 O ATOM 1382 CB SER A 88 14.040 22.869 -10.634 1.00 0.00 C ATOM 1383 OG SER A 88 13.612 22.827 -9.284 1.00 0.00 O ATOM 0 H SER A 88 12.716 20.784 -10.297 1.00 0.00 H new ATOM 0 HA SER A 88 14.777 21.547 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.847 23.594 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.221 23.208 -11.268 1.00 0.00 H new ATOM 0 HG SER A 88 13.313 23.718 -9.008 1.00 0.00 H new ATOM 1389 N GLY A 89 16.882 21.734 -10.616 1.00 0.00 N ATOM 1390 CA GLY A 89 18.124 21.422 -9.932 1.00 0.00 C ATOM 1391 C GLY A 89 18.688 20.076 -10.342 1.00 0.00 C ATOM 1392 O GLY A 89 18.197 19.429 -11.267 1.00 0.00 O ATOM 0 H GLY A 89 16.951 22.473 -11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.858 22.200 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.954 21.429 -8.855 1.00 0.00 H new ATOM 1396 N PRO A 90 19.745 19.636 -9.644 1.00 0.00 N ATOM 1397 CA PRO A 90 20.400 18.355 -9.922 1.00 0.00 C ATOM 1398 C PRO A 90 19.529 17.163 -9.541 1.00 0.00 C ATOM 1399 O PRO A 90 19.946 16.011 -9.668 1.00 0.00 O ATOM 1400 CB PRO A 90 21.656 18.402 -9.047 1.00 0.00 C ATOM 1401 CG PRO A 90 21.309 19.331 -7.936 1.00 0.00 C ATOM 1402 CD PRO A 90 20.382 20.356 -8.527 1.00 0.00 C ATOM 0 HA PRO A 90 20.608 18.226 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 90 21.913 17.412 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 90 22.517 18.762 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 90 20.828 18.797 -7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 90 22.203 19.803 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.647 20.700 -7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 90 20.924 21.236 -8.873 1.00 0.00 H new ATOM 1410 N SER A 91 18.318 17.447 -9.073 1.00 0.00 N ATOM 1411 CA SER A 91 17.389 16.397 -8.670 1.00 0.00 C ATOM 1412 C SER A 91 17.971 15.564 -7.532 1.00 0.00 C ATOM 1413 O SER A 91 18.017 14.337 -7.608 1.00 0.00 O ATOM 1414 CB SER A 91 17.058 15.496 -9.861 1.00 0.00 C ATOM 1415 OG SER A 91 16.033 16.059 -10.659 1.00 0.00 O ATOM 0 H SER A 91 17.957 18.395 -8.963 1.00 0.00 H new ATOM 0 HA SER A 91 16.473 16.871 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.952 15.345 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.746 14.515 -9.503 1.00 0.00 H new ATOM 0 HG SER A 91 15.842 15.464 -11.414 1.00 0.00 H new ATOM 1421 N SER A 92 18.415 16.242 -6.479 1.00 0.00 N ATOM 1422 CA SER A 92 18.998 15.566 -5.326 1.00 0.00 C ATOM 1423 C SER A 92 18.459 16.150 -4.024 1.00 0.00 C ATOM 1424 O SER A 92 17.713 17.129 -4.031 1.00 0.00 O ATOM 1425 CB SER A 92 20.523 15.682 -5.357 1.00 0.00 C ATOM 1426 OG SER A 92 20.952 16.917 -4.810 1.00 0.00 O ATOM 0 H SER A 92 18.382 17.258 -6.400 1.00 0.00 H new ATOM 0 HA SER A 92 18.720 14.513 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.965 14.859 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.877 15.593 -6.384 1.00 0.00 H new ATOM 0 HG SER A 92 21.930 16.966 -4.840 1.00 0.00 H new ATOM 1432 N GLY A 93 18.843 15.541 -2.905 1.00 0.00 N ATOM 1433 CA GLY A 93 18.389 16.014 -1.610 1.00 0.00 C ATOM 1434 C GLY A 93 18.010 14.879 -0.680 1.00 0.00 C ATOM 1435 O GLY A 93 16.879 14.815 -0.197 1.00 0.00 O ATOM 0 H GLY A 93 19.460 14.729 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.175 16.611 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.529 16.670 -1.747 1.00 0.00 H new TER 1439 GLY A 93