USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 705 MET CE :methyl 168:sc= -1.24! (180deg=-2.52!) USER MOD Set 2.1: A 41 TYR OH : rot 154:sc= 0.899 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 62 GLN : amide:sc= -4.06! K(o=-3.4!,f=-2) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.629 K(o=-3.4,f=-8!) USER MOD Set 4.1: A 46 MET CE :methyl -149:sc= -2.27 (180deg=-3.44!) USER MOD Set 4.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.0357 K(o=-0.078,f=1.2) USER MOD Set 5.2: A 26 CYS SG : rot -120:sc= -0.042 USER MOD Set 6.1: A 3 GLN : amide:sc= 0.519 K(o=1.2,f=-0.076) USER MOD Set 6.2: A 7 GLN : amide:sc= 0.418 K(o=1.2,f=-0.076) USER MOD Set 6.3: A 29 GLN : amide:sc= 0.277 K(o=1.2,f=-1.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.12) USER MOD Single : A 8 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.154) USER MOD Single : A 12 ASN : amide:sc= -5.94! C(o=-5.9!,f=-4.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 27 TYR OH : rot 54:sc= 0.585 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.99! K(o=-2!,f=-0.34) USER MOD Single : A 36 GLN : amide:sc= -2.9! K(o=-2.9!,f=-0.059) USER MOD Single : A 37 ASN : amide:sc= -0.565 K(o=-0.57,f=-3.6!) USER MOD Single : A 42 SER OG : rot 39:sc= -0.32 USER MOD Single : A 43 ASN : amide:sc=-0.00688 K(o=-0.0069,f=-9.9!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 56 GLN : amide:sc= -0.765 K(o=-0.77,f=-0.063) USER MOD Single : A 59 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 60 MET CE :methyl 151:sc= -0.431 (180deg=-1.83) USER MOD Single : A 61 CYS SG : rot 76:sc= -0.287 USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.0687 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 73 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 1.47 (180deg=0.563) USER MOD Single : A 81 GLN : amide:sc= -10.3! C(o=-10!,f=-9.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.05 K(o=1,f=-0.12) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot 160:sc= -0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 23.304 -6.506 -2.834 1.00 0.00 N ATOM 2 CA SER A 2 22.174 -7.421 -3.074 1.00 0.00 C ATOM 3 C SER A 2 21.967 -7.641 -4.566 1.00 0.00 C ATOM 4 O SER A 2 22.373 -6.812 -5.381 1.00 0.00 O ATOM 5 CB SER A 2 20.894 -6.889 -2.430 1.00 0.00 C ATOM 6 OG SER A 2 20.547 -5.653 -3.020 1.00 0.00 O ATOM 0 HA SER A 2 22.414 -8.379 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.084 -7.606 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.039 -6.764 -1.357 1.00 0.00 H new ATOM 0 HG SER A 2 19.725 -5.313 -2.608 1.00 0.00 H new ATOM 14 N GLN A 3 21.335 -8.762 -4.923 1.00 0.00 N ATOM 15 CA GLN A 3 21.039 -9.128 -6.303 1.00 0.00 C ATOM 16 C GLN A 3 19.887 -8.279 -6.856 1.00 0.00 C ATOM 17 O GLN A 3 18.844 -8.807 -7.238 1.00 0.00 O ATOM 18 CB GLN A 3 20.732 -10.630 -6.361 1.00 0.00 C ATOM 19 CG GLN A 3 20.689 -11.156 -7.802 1.00 0.00 C ATOM 20 CD GLN A 3 22.013 -10.955 -8.531 1.00 0.00 C ATOM 21 OE1 GLN A 3 23.082 -11.184 -7.974 1.00 0.00 O ATOM 22 NE2 GLN A 3 21.953 -10.524 -9.787 1.00 0.00 N ATOM 0 H GLN A 3 21.010 -9.451 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 3 21.903 -8.926 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 3 21.489 -11.176 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 3 19.775 -10.823 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 3 20.440 -12.217 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.895 -10.647 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.048 -10.343 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 3 22.812 -10.374 -10.316 1.00 0.00 H new ATOM 31 N PHE A 4 20.069 -6.958 -6.902 1.00 0.00 N ATOM 32 CA PHE A 4 19.065 -6.043 -7.421 1.00 0.00 C ATOM 33 C PHE A 4 19.798 -4.800 -7.863 1.00 0.00 C ATOM 34 O PHE A 4 19.520 -4.223 -8.911 1.00 0.00 O ATOM 35 CB PHE A 4 18.090 -5.679 -6.299 1.00 0.00 C ATOM 36 CG PHE A 4 17.101 -4.586 -6.644 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.463 -3.228 -6.562 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.801 -4.929 -7.044 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.522 -2.230 -6.845 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.861 -3.928 -7.323 1.00 0.00 C ATOM 41 CZ PHE A 4 15.219 -2.577 -7.219 1.00 0.00 C ATOM 0 H PHE A 4 20.920 -6.497 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 4 18.508 -6.490 -8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.536 -6.574 -6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.663 -5.368 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.469 -2.955 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.524 -5.969 -7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.803 -1.190 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.858 -4.198 -7.619 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.492 -1.806 -7.427 1.00 0.00 H new ATOM 51 N GLU A 5 20.756 -4.407 -7.030 1.00 0.00 N ATOM 52 CA GLU A 5 21.614 -3.285 -7.287 1.00 0.00 C ATOM 53 C GLU A 5 22.322 -3.404 -8.627 1.00 0.00 C ATOM 54 O GLU A 5 22.226 -2.500 -9.445 1.00 0.00 O ATOM 55 CB GLU A 5 22.667 -3.269 -6.196 1.00 0.00 C ATOM 56 CG GLU A 5 22.041 -2.909 -4.847 1.00 0.00 C ATOM 57 CD GLU A 5 23.110 -2.796 -3.761 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.691 -3.846 -3.412 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.334 -1.659 -3.288 1.00 0.00 O ATOM 0 H GLU A 5 20.951 -4.876 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 5 21.012 -2.376 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.146 -4.246 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.446 -2.548 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.503 -1.965 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.311 -3.668 -4.566 1.00 0.00 H new ATOM 66 N LYS A 6 23.034 -4.504 -8.880 1.00 0.00 N ATOM 67 CA LYS A 6 23.857 -4.607 -10.062 1.00 0.00 C ATOM 68 C LYS A 6 23.045 -4.486 -11.339 1.00 0.00 C ATOM 69 O LYS A 6 23.434 -3.778 -12.263 1.00 0.00 O ATOM 70 CB LYS A 6 24.539 -5.953 -9.981 1.00 0.00 C ATOM 71 CG LYS A 6 25.624 -6.165 -11.023 1.00 0.00 C ATOM 72 CD LYS A 6 26.739 -5.118 -10.948 1.00 0.00 C ATOM 73 CE LYS A 6 26.488 -3.966 -11.919 1.00 0.00 C ATOM 74 NZ LYS A 6 27.575 -2.972 -11.860 1.00 0.00 N ATOM 0 H LYS A 6 23.050 -5.327 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 6 24.578 -3.791 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.976 -6.067 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.788 -6.735 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.056 -7.157 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.176 -6.140 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.809 -4.731 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.696 -5.587 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.402 -4.355 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.539 -3.486 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.581 -2.411 -12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.425 -2.342 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.487 -3.461 -11.756 1.00 0.00 H new ATOM 88 N GLN A 7 21.909 -5.181 -11.386 1.00 0.00 N ATOM 89 CA GLN A 7 21.018 -5.155 -12.531 1.00 0.00 C ATOM 90 C GLN A 7 20.410 -3.764 -12.702 1.00 0.00 C ATOM 91 O GLN A 7 19.885 -3.440 -13.764 1.00 0.00 O ATOM 92 CB GLN A 7 19.963 -6.229 -12.313 1.00 0.00 C ATOM 93 CG GLN A 7 20.719 -7.535 -12.038 1.00 0.00 C ATOM 94 CD GLN A 7 19.794 -8.723 -12.109 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.619 -9.455 -11.143 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.194 -8.922 -13.275 1.00 0.00 N ATOM 0 H GLN A 7 21.585 -5.778 -10.625 1.00 0.00 H new ATOM 0 HA GLN A 7 21.556 -5.365 -13.455 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.316 -5.972 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.324 -6.328 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.524 -7.653 -12.764 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.183 -7.490 -11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.369 -8.287 -14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.558 -9.710 -13.393 1.00 0.00 H new ATOM 105 N LYS A 8 20.490 -2.943 -11.649 1.00 0.00 N ATOM 106 CA LYS A 8 20.030 -1.572 -11.657 1.00 0.00 C ATOM 107 C LYS A 8 21.159 -0.628 -12.058 1.00 0.00 C ATOM 108 O LYS A 8 21.062 0.008 -13.101 1.00 0.00 O ATOM 109 CB LYS A 8 19.507 -1.289 -10.256 1.00 0.00 C ATOM 110 CG LYS A 8 18.844 0.075 -10.137 1.00 0.00 C ATOM 111 CD LYS A 8 18.225 0.129 -8.744 1.00 0.00 C ATOM 112 CE LYS A 8 19.284 0.014 -7.649 1.00 0.00 C ATOM 113 NZ LYS A 8 20.207 1.165 -7.668 1.00 0.00 N ATOM 0 H LYS A 8 20.887 -3.230 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 8 19.239 -1.414 -12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.790 -2.062 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.332 -1.350 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.573 0.875 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.083 0.206 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.679 1.065 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.501 -0.679 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.797 -0.048 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.848 -0.909 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.381 1.487 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.107 0.881 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.784 1.940 -8.218 1.00 0.00 H new ATOM 127 N GLU A 9 22.228 -0.525 -11.258 1.00 0.00 N ATOM 128 CA GLU A 9 23.332 0.400 -11.522 1.00 0.00 C ATOM 129 C GLU A 9 24.082 0.064 -12.808 1.00 0.00 C ATOM 130 O GLU A 9 24.735 0.945 -13.366 1.00 0.00 O ATOM 131 CB GLU A 9 24.281 0.539 -10.328 1.00 0.00 C ATOM 132 CG GLU A 9 24.635 -0.814 -9.728 1.00 0.00 C ATOM 133 CD GLU A 9 26.032 -0.802 -9.108 1.00 0.00 C ATOM 134 OE1 GLU A 9 26.173 -0.210 -8.013 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.947 -1.384 -9.730 1.00 0.00 O ATOM 0 H GLU A 9 22.350 -1.081 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 9 22.873 1.377 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 9 25.192 1.046 -10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 9 23.817 1.165 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.900 -1.080 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.585 -1.581 -10.501 1.00 0.00 H new ATOM 142 N GLN A 10 24.014 -1.174 -13.303 1.00 0.00 N ATOM 143 CA GLN A 10 24.516 -1.423 -14.649 1.00 0.00 C ATOM 144 C GLN A 10 23.685 -0.645 -15.667 1.00 0.00 C ATOM 145 O GLN A 10 24.234 -0.008 -16.563 1.00 0.00 O ATOM 146 CB GLN A 10 24.416 -2.914 -14.965 1.00 0.00 C ATOM 147 CG GLN A 10 25.125 -3.225 -16.281 1.00 0.00 C ATOM 148 CD GLN A 10 24.549 -4.480 -16.918 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.887 -5.599 -16.544 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.667 -4.290 -17.896 1.00 0.00 N ATOM 0 H GLN A 10 23.633 -1.985 -12.815 1.00 0.00 H new ATOM 0 HA GLN A 10 25.556 -1.100 -14.703 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.862 -3.495 -14.158 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.369 -3.210 -15.029 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.019 -2.383 -16.965 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.192 -3.359 -16.102 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.413 -3.343 -18.177 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.245 -5.091 -18.365 1.00 0.00 H new ATOM 159 N GLY A 11 22.360 -0.695 -15.529 1.00 0.00 N ATOM 160 CA GLY A 11 21.451 -0.019 -16.440 1.00 0.00 C ATOM 161 C GLY A 11 21.395 1.479 -16.147 1.00 0.00 C ATOM 162 O GLY A 11 20.924 2.240 -16.988 1.00 0.00 O ATOM 0 H GLY A 11 21.892 -1.207 -14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.775 -0.180 -17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.453 -0.448 -16.349 1.00 0.00 H new ATOM 166 N ASN A 12 21.865 1.913 -14.970 1.00 0.00 N ATOM 167 CA ASN A 12 21.854 3.324 -14.604 1.00 0.00 C ATOM 168 C ASN A 12 22.629 4.124 -15.634 1.00 0.00 C ATOM 169 O ASN A 12 22.321 5.293 -15.821 1.00 0.00 O ATOM 170 CB ASN A 12 22.535 3.565 -13.255 1.00 0.00 C ATOM 171 CG ASN A 12 21.654 3.429 -12.019 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.681 4.289 -11.145 1.00 0.00 O ATOM 173 ND2 ASN A 12 20.876 2.361 -11.927 1.00 0.00 N ATOM 0 H ASN A 12 22.258 1.299 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 12 20.809 3.631 -14.551 1.00 0.00 H new ATOM 0 HB2 ASN A 12 23.366 2.865 -13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.962 4.568 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.276 2.236 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 12 20.877 1.664 -12.672 1.00 0.00 H new ATOM 180 N SER A 13 23.621 3.519 -16.297 1.00 0.00 N ATOM 181 CA SER A 13 24.390 4.263 -17.282 1.00 0.00 C ATOM 182 C SER A 13 23.883 3.994 -18.693 1.00 0.00 C ATOM 183 O SER A 13 23.885 4.901 -19.518 1.00 0.00 O ATOM 184 CB SER A 13 25.869 3.919 -17.140 1.00 0.00 C ATOM 185 OG SER A 13 26.085 2.550 -17.409 1.00 0.00 O ATOM 0 H SER A 13 23.899 2.546 -16.171 1.00 0.00 H new ATOM 0 HA SER A 13 24.264 5.330 -17.100 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.458 4.528 -17.826 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.209 4.156 -16.132 1.00 0.00 H new ATOM 0 HG SER A 13 27.039 2.345 -17.315 1.00 0.00 H new ATOM 191 N LEU A 14 23.443 2.764 -18.989 1.00 0.00 N ATOM 192 CA LEU A 14 22.900 2.419 -20.290 1.00 0.00 C ATOM 193 C LEU A 14 21.741 3.337 -20.678 1.00 0.00 C ATOM 194 O LEU A 14 21.633 3.755 -21.827 1.00 0.00 O ATOM 195 CB LEU A 14 22.449 0.973 -20.218 1.00 0.00 C ATOM 196 CG LEU A 14 23.627 0.037 -19.944 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.343 -1.196 -20.760 1.00 0.00 C ATOM 198 CD2 LEU A 14 25.006 0.525 -20.395 1.00 0.00 C ATOM 0 H LEU A 14 23.458 1.988 -18.328 1.00 0.00 H new ATOM 0 HA LEU A 14 23.661 2.548 -21.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.702 0.861 -19.432 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.969 0.692 -21.156 1.00 0.00 H new ATOM 0 HG LEU A 14 23.689 -0.082 -18.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.146 -1.920 -20.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.398 -1.635 -20.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.279 -0.928 -21.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.757 -0.225 -20.146 1.00 0.00 H new ATOM 0 HD22 LEU A 14 25.000 0.688 -21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.245 1.460 -19.888 1.00 0.00 H new ATOM 210 N PHE A 15 20.874 3.658 -19.716 1.00 0.00 N ATOM 211 CA PHE A 15 19.713 4.494 -19.963 1.00 0.00 C ATOM 212 C PHE A 15 20.154 5.887 -20.385 1.00 0.00 C ATOM 213 O PHE A 15 19.452 6.563 -21.133 1.00 0.00 O ATOM 214 CB PHE A 15 18.904 4.562 -18.672 1.00 0.00 C ATOM 215 CG PHE A 15 18.053 5.799 -18.513 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.880 5.964 -19.262 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.442 6.786 -17.594 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.089 7.109 -19.084 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.620 7.896 -17.368 1.00 0.00 C ATOM 220 CZ PHE A 15 16.455 8.069 -18.128 1.00 0.00 C ATOM 0 H PHE A 15 20.962 3.344 -18.750 1.00 0.00 H new ATOM 0 HA PHE A 15 19.106 4.076 -20.766 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.257 3.686 -18.620 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.591 4.501 -17.828 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.585 5.210 -19.976 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.376 6.689 -17.061 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.201 7.251 -19.681 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.883 8.618 -16.609 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.838 8.943 -17.978 1.00 0.00 H new ATOM 230 N LYS A 16 21.319 6.315 -19.901 1.00 0.00 N ATOM 231 CA LYS A 16 21.816 7.648 -20.173 1.00 0.00 C ATOM 232 C LYS A 16 22.639 7.717 -21.464 1.00 0.00 C ATOM 233 O LYS A 16 23.037 8.805 -21.872 1.00 0.00 O ATOM 234 CB LYS A 16 22.671 8.095 -18.992 1.00 0.00 C ATOM 235 CG LYS A 16 22.027 7.673 -17.677 1.00 0.00 C ATOM 236 CD LYS A 16 22.858 8.162 -16.495 1.00 0.00 C ATOM 237 CE LYS A 16 22.633 9.658 -16.269 1.00 0.00 C ATOM 238 NZ LYS A 16 23.424 10.151 -15.127 1.00 0.00 N ATOM 0 H LYS A 16 21.934 5.749 -19.316 1.00 0.00 H new ATOM 0 HA LYS A 16 20.960 8.309 -20.309 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.667 7.660 -19.072 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.793 9.178 -19.013 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.018 8.079 -17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.936 6.587 -17.641 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.587 7.607 -15.597 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.915 7.971 -16.681 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.906 10.209 -17.169 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.574 9.846 -16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.251 11.168 -14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.145 9.640 -14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.435 9.993 -15.311 1.00 0.00 H new ATOM 252 N GLN A 17 22.904 6.573 -22.113 1.00 0.00 N ATOM 253 CA GLN A 17 23.773 6.503 -23.280 1.00 0.00 C ATOM 254 C GLN A 17 22.998 6.547 -24.588 1.00 0.00 C ATOM 255 O GLN A 17 23.544 6.962 -25.609 1.00 0.00 O ATOM 256 CB GLN A 17 24.558 5.192 -23.243 1.00 0.00 C ATOM 257 CG GLN A 17 25.708 5.301 -22.249 1.00 0.00 C ATOM 258 CD GLN A 17 26.675 4.132 -22.392 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.835 4.312 -22.757 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.201 2.923 -22.109 1.00 0.00 N ATOM 0 H GLN A 17 22.516 5.671 -21.836 1.00 0.00 H new ATOM 0 HA GLN A 17 24.432 7.371 -23.242 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.899 4.372 -22.960 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.945 4.962 -24.236 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.241 6.238 -22.408 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.313 5.327 -21.234 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.232 2.812 -21.809 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.806 2.106 -22.192 1.00 0.00 H new ATOM 269 N GLY A 18 21.732 6.126 -24.570 1.00 0.00 N ATOM 270 CA GLY A 18 20.961 6.054 -25.801 1.00 0.00 C ATOM 271 C GLY A 18 20.116 4.810 -25.910 1.00 0.00 C ATOM 272 O GLY A 18 19.137 4.767 -26.654 1.00 0.00 O ATOM 0 H GLY A 18 21.231 5.836 -23.730 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.315 6.929 -25.867 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.643 6.096 -26.650 1.00 0.00 H new ATOM 276 N LEU A 19 20.512 3.791 -25.158 1.00 0.00 N ATOM 277 CA LEU A 19 19.989 2.460 -25.318 1.00 0.00 C ATOM 278 C LEU A 19 19.078 2.106 -24.164 1.00 0.00 C ATOM 279 O LEU A 19 19.304 1.178 -23.391 1.00 0.00 O ATOM 280 CB LEU A 19 21.124 1.492 -25.614 1.00 0.00 C ATOM 281 CG LEU A 19 22.492 1.796 -24.988 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.496 1.325 -23.542 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.584 1.032 -25.733 1.00 0.00 C ATOM 0 H LEU A 19 21.209 3.876 -24.419 1.00 0.00 H new ATOM 0 HA LEU A 19 19.338 2.390 -26.190 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.815 0.500 -25.284 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.252 1.443 -26.695 1.00 0.00 H new ATOM 0 HG LEU A 19 22.677 2.869 -25.047 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.466 1.539 -23.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.716 1.847 -22.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.309 0.252 -23.508 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.553 1.252 -25.284 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.388 -0.038 -25.668 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.592 1.336 -26.780 1.00 0.00 H new ATOM 295 N TYR A 20 18.025 2.909 -24.096 1.00 0.00 N ATOM 296 CA TYR A 20 16.972 2.856 -23.109 1.00 0.00 C ATOM 297 C TYR A 20 16.475 1.436 -22.878 1.00 0.00 C ATOM 298 O TYR A 20 16.265 1.050 -21.736 1.00 0.00 O ATOM 299 CB TYR A 20 15.858 3.751 -23.646 1.00 0.00 C ATOM 300 CG TYR A 20 16.407 5.080 -24.114 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.214 5.845 -23.256 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.131 5.533 -25.414 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.755 7.059 -23.703 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.671 6.749 -25.862 1.00 0.00 C ATOM 305 CZ TYR A 20 17.483 7.518 -25.007 1.00 0.00 C ATOM 306 OH TYR A 20 18.007 8.700 -25.435 1.00 0.00 O ATOM 0 H TYR A 20 17.881 3.658 -24.773 1.00 0.00 H new ATOM 0 HA TYR A 20 17.332 3.197 -22.138 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.352 3.251 -24.472 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.112 3.915 -22.868 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.418 5.499 -22.253 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.504 4.946 -26.069 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.382 7.644 -23.046 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.463 7.095 -26.864 1.00 0.00 H new ATOM 0 HH TYR A 20 17.723 8.869 -26.358 1.00 0.00 H new ATOM 316 N ARG A 21 16.289 0.655 -23.947 1.00 0.00 N ATOM 317 CA ARG A 21 15.695 -0.667 -23.872 1.00 0.00 C ATOM 318 C ARG A 21 16.745 -1.686 -23.472 1.00 0.00 C ATOM 319 O ARG A 21 16.409 -2.666 -22.820 1.00 0.00 O ATOM 320 CB ARG A 21 15.159 -0.934 -25.267 1.00 0.00 C ATOM 321 CG ARG A 21 14.528 -2.300 -25.466 1.00 0.00 C ATOM 322 CD ARG A 21 13.654 -2.795 -24.312 1.00 0.00 C ATOM 323 NE ARG A 21 12.691 -3.801 -24.769 1.00 0.00 N ATOM 324 CZ ARG A 21 11.507 -3.519 -25.318 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.117 -2.256 -25.488 1.00 0.00 N ATOM 326 NH2 ARG A 21 10.701 -4.504 -25.699 1.00 0.00 N ATOM 0 H ARG A 21 16.552 0.933 -24.893 1.00 0.00 H new ATOM 0 HA ARG A 21 14.904 -0.734 -23.125 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.418 -0.171 -25.507 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.975 -0.821 -25.980 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.922 -2.273 -26.372 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.322 -3.027 -25.635 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.285 -3.220 -23.531 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.122 -1.953 -23.869 1.00 0.00 H new ATOM 0 HE ARG A 21 12.942 -4.784 -24.660 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.726 -1.491 -25.197 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.210 -2.055 -25.909 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.987 -5.475 -25.572 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.796 -4.289 -26.118 1.00 0.00 H new ATOM 340 N GLU A 22 18.007 -1.471 -23.846 1.00 0.00 N ATOM 341 CA GLU A 22 19.076 -2.318 -23.336 1.00 0.00 C ATOM 342 C GLU A 22 19.235 -2.058 -21.841 1.00 0.00 C ATOM 343 O GLU A 22 19.621 -2.940 -21.075 1.00 0.00 O ATOM 344 CB GLU A 22 20.378 -2.002 -24.053 1.00 0.00 C ATOM 345 CG GLU A 22 20.198 -2.209 -25.551 1.00 0.00 C ATOM 346 CD GLU A 22 19.888 -3.666 -25.892 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.822 -4.493 -25.793 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.721 -3.942 -26.248 1.00 0.00 O ATOM 0 H GLU A 22 18.306 -0.735 -24.485 1.00 0.00 H new ATOM 0 HA GLU A 22 18.828 -3.365 -23.508 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.676 -0.973 -23.851 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.176 -2.644 -23.680 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.390 -1.572 -25.911 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.104 -1.899 -26.072 1.00 0.00 H new ATOM 355 N ALA A 23 18.924 -0.820 -21.438 1.00 0.00 N ATOM 356 CA ALA A 23 18.940 -0.407 -20.049 1.00 0.00 C ATOM 357 C ALA A 23 17.752 -0.984 -19.282 1.00 0.00 C ATOM 358 O ALA A 23 17.887 -1.270 -18.094 1.00 0.00 O ATOM 359 CB ALA A 23 18.939 1.122 -19.975 1.00 0.00 C ATOM 0 H ALA A 23 18.653 -0.077 -22.082 1.00 0.00 H new ATOM 0 HA ALA A 23 19.846 -0.793 -19.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.951 1.436 -18.931 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.822 1.511 -20.481 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.043 1.509 -20.460 1.00 0.00 H new ATOM 365 N VAL A 24 16.592 -1.167 -19.924 1.00 0.00 N ATOM 366 CA VAL A 24 15.417 -1.669 -19.261 1.00 0.00 C ATOM 367 C VAL A 24 15.515 -3.170 -19.163 1.00 0.00 C ATOM 368 O VAL A 24 14.918 -3.818 -18.309 1.00 0.00 O ATOM 369 CB VAL A 24 14.124 -1.316 -19.986 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.976 0.111 -20.478 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.611 -2.314 -20.990 1.00 0.00 C ATOM 0 H VAL A 24 16.458 -0.967 -20.915 1.00 0.00 H new ATOM 0 HA VAL A 24 15.380 -1.200 -18.278 1.00 0.00 H new ATOM 0 HB VAL A 24 13.447 -1.393 -19.135 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.013 0.227 -20.975 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.032 0.795 -19.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.777 0.338 -21.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.687 -1.942 -21.433 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.356 -2.459 -21.772 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.418 -3.264 -20.492 1.00 0.00 H new ATOM 381 N HIS A 25 16.299 -3.704 -20.083 1.00 0.00 N ATOM 382 CA HIS A 25 16.602 -5.108 -20.198 1.00 0.00 C ATOM 383 C HIS A 25 17.312 -5.661 -18.959 1.00 0.00 C ATOM 384 O HIS A 25 17.549 -6.864 -18.875 1.00 0.00 O ATOM 385 CB HIS A 25 17.448 -5.291 -21.447 1.00 0.00 C ATOM 386 CG HIS A 25 16.824 -6.233 -22.434 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.368 -7.528 -22.182 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.594 -5.919 -23.736 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.858 -7.951 -23.354 1.00 0.00 C ATOM 390 NE2 HIS A 25 15.991 -7.012 -24.307 1.00 0.00 N ATOM 0 H HIS A 25 16.759 -3.141 -20.798 1.00 0.00 H new ATOM 0 HA HIS A 25 15.673 -5.673 -20.275 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.602 -4.322 -21.922 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.431 -5.667 -21.164 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.839 -4.989 -24.227 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.402 -8.918 -23.508 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.697 -7.097 -25.280 1.00 0.00 H new ATOM 398 N CYS A 26 17.643 -4.791 -18.000 1.00 0.00 N ATOM 399 CA CYS A 26 18.217 -5.176 -16.720 1.00 0.00 C ATOM 400 C CYS A 26 17.365 -4.589 -15.596 1.00 0.00 C ATOM 401 O CYS A 26 17.339 -5.114 -14.483 1.00 0.00 O ATOM 402 CB CYS A 26 19.665 -4.691 -16.643 1.00 0.00 C ATOM 403 SG CYS A 26 20.615 -5.432 -17.993 1.00 0.00 S ATOM 0 H CYS A 26 17.515 -3.784 -18.099 1.00 0.00 H new ATOM 0 HA CYS A 26 18.223 -6.261 -16.615 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.701 -3.604 -16.712 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.102 -4.964 -15.682 1.00 0.00 H new ATOM 0 HG CYS A 26 21.589 -6.138 -17.501 1.00 0.00 H new ATOM 409 N TYR A 27 16.663 -3.495 -15.902 1.00 0.00 N ATOM 410 CA TYR A 27 15.645 -2.894 -15.059 1.00 0.00 C ATOM 411 C TYR A 27 14.482 -3.860 -14.861 1.00 0.00 C ATOM 412 O TYR A 27 13.873 -3.886 -13.794 1.00 0.00 O ATOM 413 CB TYR A 27 15.105 -1.695 -15.828 1.00 0.00 C ATOM 414 CG TYR A 27 15.994 -0.476 -15.938 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.215 -0.386 -15.255 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.553 0.593 -16.729 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.984 0.783 -15.352 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.299 1.767 -16.823 1.00 0.00 C ATOM 419 CZ TYR A 27 17.524 1.866 -16.132 1.00 0.00 C ATOM 420 OH TYR A 27 18.256 3.007 -16.204 1.00 0.00 O ATOM 0 H TYR A 27 16.799 -2.990 -16.778 1.00 0.00 H new ATOM 0 HA TYR A 27 16.067 -2.630 -14.089 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.861 -2.025 -16.838 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.170 -1.388 -15.359 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.563 -1.215 -14.656 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.624 0.507 -17.273 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.927 0.855 -14.831 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.942 2.593 -17.420 1.00 0.00 H new ATOM 0 HH TYR A 27 19.170 2.792 -16.483 1.00 0.00 H new ATOM 430 N ASP A 28 14.174 -4.654 -15.888 1.00 0.00 N ATOM 431 CA ASP A 28 13.038 -5.554 -15.882 1.00 0.00 C ATOM 432 C ASP A 28 13.215 -6.642 -14.829 1.00 0.00 C ATOM 433 O ASP A 28 12.227 -7.158 -14.304 1.00 0.00 O ATOM 434 CB ASP A 28 12.880 -6.145 -17.281 1.00 0.00 C ATOM 435 CG ASP A 28 11.585 -6.946 -17.401 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.515 -6.302 -17.455 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.682 -8.194 -17.438 1.00 0.00 O ATOM 0 H ASP A 28 14.716 -4.685 -16.751 1.00 0.00 H new ATOM 0 HA ASP A 28 12.132 -5.008 -15.621 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.884 -5.343 -18.020 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.731 -6.789 -17.505 1.00 0.00 H new ATOM 442 N GLN A 29 14.461 -7.001 -14.507 1.00 0.00 N ATOM 443 CA GLN A 29 14.707 -7.969 -13.457 1.00 0.00 C ATOM 444 C GLN A 29 14.531 -7.358 -12.069 1.00 0.00 C ATOM 445 O GLN A 29 14.386 -8.101 -11.101 1.00 0.00 O ATOM 446 CB GLN A 29 16.106 -8.567 -13.584 1.00 0.00 C ATOM 447 CG GLN A 29 16.214 -9.430 -14.838 1.00 0.00 C ATOM 448 CD GLN A 29 16.855 -8.692 -16.001 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.053 -8.421 -15.978 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.071 -8.362 -17.024 1.00 0.00 N ATOM 0 H GLN A 29 15.300 -6.636 -14.957 1.00 0.00 H new ATOM 0 HA GLN A 29 13.968 -8.761 -13.576 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.846 -7.768 -13.622 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.331 -9.168 -12.703 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.799 -10.322 -14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.219 -9.767 -15.130 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.080 -8.605 -17.006 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.461 -7.866 -17.826 1.00 0.00 H new ATOM 459 N LEU A 30 14.541 -6.025 -11.949 1.00 0.00 N ATOM 460 CA LEU A 30 14.273 -5.380 -10.668 1.00 0.00 C ATOM 461 C LEU A 30 12.834 -5.664 -10.279 1.00 0.00 C ATOM 462 O LEU A 30 12.518 -5.802 -9.100 1.00 0.00 O ATOM 463 CB LEU A 30 14.483 -3.871 -10.781 1.00 0.00 C ATOM 464 CG LEU A 30 15.844 -3.519 -11.361 1.00 0.00 C ATOM 465 CD1 LEU A 30 16.110 -2.025 -11.248 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.974 -4.273 -10.665 1.00 0.00 C ATOM 0 H LEU A 30 14.730 -5.382 -12.718 1.00 0.00 H new ATOM 0 HA LEU A 30 14.955 -5.770 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.701 -3.444 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.383 -3.418 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 30 15.821 -3.814 -12.410 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.089 -1.797 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.343 -1.476 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.089 -1.730 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.928 -3.991 -11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.981 -4.021 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.822 -5.346 -10.782 1.00 0.00 H new ATOM 478 N ILE A 31 11.961 -5.755 -11.283 1.00 0.00 N ATOM 479 CA ILE A 31 10.572 -6.082 -11.040 1.00 0.00 C ATOM 480 C ILE A 31 10.424 -7.585 -10.861 1.00 0.00 C ATOM 481 O ILE A 31 9.665 -8.047 -10.027 1.00 0.00 O ATOM 482 CB ILE A 31 9.695 -5.591 -12.196 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.911 -4.113 -12.527 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.265 -5.706 -11.707 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.678 -3.959 -13.833 1.00 0.00 C ATOM 0 H ILE A 31 12.198 -5.606 -12.264 1.00 0.00 H new ATOM 0 HA ILE A 31 10.244 -5.582 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 31 9.932 -6.178 -13.083 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.948 -3.608 -12.604 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.460 -3.631 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.585 -5.369 -12.489 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.048 -6.745 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.133 -5.087 -10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.820 -2.900 -14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.650 -4.445 -13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.114 -4.422 -14.643 1.00 0.00 H new ATOM 497 N THR A 32 11.133 -8.401 -11.626 1.00 0.00 N ATOM 498 CA THR A 32 10.987 -9.835 -11.445 1.00 0.00 C ATOM 499 C THR A 32 11.572 -10.295 -10.110 1.00 0.00 C ATOM 500 O THR A 32 11.149 -11.322 -9.580 1.00 0.00 O ATOM 501 CB THR A 32 11.705 -10.523 -12.607 1.00 0.00 C ATOM 502 OG1 THR A 32 11.007 -10.287 -13.809 1.00 0.00 O ATOM 503 CG2 THR A 32 11.865 -12.028 -12.417 1.00 0.00 C ATOM 0 H THR A 32 11.790 -8.110 -12.350 1.00 0.00 H new ATOM 0 HA THR A 32 9.929 -10.097 -11.433 1.00 0.00 H new ATOM 0 HB THR A 32 12.706 -10.093 -12.644 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.473 -10.729 -14.550 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.382 -12.451 -13.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.445 -12.221 -11.515 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.882 -12.489 -12.322 1.00 0.00 H new ATOM 511 N ALA A 33 12.538 -9.552 -9.554 1.00 0.00 N ATOM 512 CA ALA A 33 13.142 -9.915 -8.281 1.00 0.00 C ATOM 513 C ALA A 33 12.417 -9.235 -7.123 1.00 0.00 C ATOM 514 O ALA A 33 12.405 -9.746 -6.002 1.00 0.00 O ATOM 515 CB ALA A 33 14.615 -9.499 -8.273 1.00 0.00 C ATOM 0 H ALA A 33 12.912 -8.699 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 33 13.061 -10.995 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.065 -9.772 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.141 -10.008 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.689 -8.421 -8.414 1.00 0.00 H new ATOM 521 N GLN A 34 11.816 -8.079 -7.404 1.00 0.00 N ATOM 522 CA GLN A 34 11.045 -7.312 -6.450 1.00 0.00 C ATOM 523 C GLN A 34 9.841 -6.717 -7.173 1.00 0.00 C ATOM 524 O GLN A 34 9.763 -5.517 -7.422 1.00 0.00 O ATOM 525 CB GLN A 34 11.987 -6.260 -5.898 1.00 0.00 C ATOM 526 CG GLN A 34 11.890 -6.039 -4.392 1.00 0.00 C ATOM 527 CD GLN A 34 13.046 -5.124 -4.017 1.00 0.00 C ATOM 528 OE1 GLN A 34 12.886 -4.122 -3.328 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.236 -5.489 -4.490 1.00 0.00 N ATOM 0 H GLN A 34 11.858 -7.647 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 34 10.653 -7.906 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.010 -6.544 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.789 -5.315 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.935 -5.586 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.954 -6.986 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.322 -6.331 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.061 -4.927 -4.283 1.00 0.00 H new ATOM 538 N PRO A 35 8.888 -7.581 -7.518 1.00 0.00 N ATOM 539 CA PRO A 35 7.753 -7.252 -8.372 1.00 0.00 C ATOM 540 C PRO A 35 6.787 -6.314 -7.696 1.00 0.00 C ATOM 541 O PRO A 35 5.853 -5.782 -8.290 1.00 0.00 O ATOM 542 CB PRO A 35 7.112 -8.580 -8.717 1.00 0.00 C ATOM 543 CG PRO A 35 7.857 -9.660 -7.935 1.00 0.00 C ATOM 544 CD PRO A 35 8.882 -8.958 -7.075 1.00 0.00 C ATOM 0 HA PRO A 35 8.071 -6.719 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.054 -8.576 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.174 -8.770 -9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.166 -10.235 -7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.340 -10.363 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.621 -9.028 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.867 -9.411 -7.191 1.00 0.00 H new ATOM 552 N GLN A 36 7.064 -6.142 -6.417 1.00 0.00 N ATOM 553 CA GLN A 36 6.393 -5.167 -5.584 1.00 0.00 C ATOM 554 C GLN A 36 7.324 -4.056 -5.072 1.00 0.00 C ATOM 555 O GLN A 36 7.211 -3.577 -3.944 1.00 0.00 O ATOM 556 CB GLN A 36 5.474 -5.855 -4.584 1.00 0.00 C ATOM 557 CG GLN A 36 6.137 -6.302 -3.305 1.00 0.00 C ATOM 558 CD GLN A 36 6.560 -7.767 -3.277 1.00 0.00 C ATOM 559 OE1 GLN A 36 6.688 -8.356 -2.206 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.783 -8.379 -4.438 1.00 0.00 N ATOM 0 H GLN A 36 7.772 -6.685 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 36 5.709 -4.575 -6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.661 -5.174 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.026 -6.724 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.017 -5.682 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.453 -6.121 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.670 -7.868 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.067 -9.359 -4.452 1.00 0.00 H new ATOM 569 N ASN A 37 8.260 -3.649 -5.938 1.00 0.00 N ATOM 570 CA ASN A 37 9.156 -2.521 -5.723 1.00 0.00 C ATOM 571 C ASN A 37 9.017 -1.561 -6.888 1.00 0.00 C ATOM 572 O ASN A 37 8.782 -1.971 -8.023 1.00 0.00 O ATOM 573 CB ASN A 37 10.593 -3.019 -5.590 1.00 0.00 C ATOM 574 CG ASN A 37 11.454 -2.603 -6.772 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.179 -1.620 -6.706 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.371 -3.349 -7.863 1.00 0.00 N ATOM 0 H ASN A 37 8.414 -4.114 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 37 8.895 -2.001 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.028 -2.628 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.593 -4.106 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.923 -3.111 -8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.755 -4.162 -7.880 1.00 0.00 H new ATOM 583 N PRO A 38 9.164 -0.272 -6.593 1.00 0.00 N ATOM 584 CA PRO A 38 8.864 0.767 -7.537 1.00 0.00 C ATOM 585 C PRO A 38 10.021 1.156 -8.440 1.00 0.00 C ATOM 586 O PRO A 38 9.773 1.319 -9.629 1.00 0.00 O ATOM 587 CB PRO A 38 8.501 1.914 -6.640 1.00 0.00 C ATOM 588 CG PRO A 38 9.414 1.771 -5.423 1.00 0.00 C ATOM 589 CD PRO A 38 9.565 0.262 -5.301 1.00 0.00 C ATOM 0 HA PRO A 38 8.091 0.452 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.657 2.870 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.451 1.872 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.374 2.264 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.970 2.208 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.593 -0.012 -5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.938 -0.132 -4.501 1.00 0.00 H new ATOM 597 N VAL A 39 11.259 1.312 -7.950 1.00 0.00 N ATOM 598 CA VAL A 39 12.376 1.559 -8.850 1.00 0.00 C ATOM 599 C VAL A 39 12.354 0.623 -10.042 1.00 0.00 C ATOM 600 O VAL A 39 12.751 0.980 -11.149 1.00 0.00 O ATOM 601 CB VAL A 39 13.716 1.458 -8.133 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.689 1.288 -6.625 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.713 0.526 -8.811 1.00 0.00 C ATOM 0 H VAL A 39 11.501 1.272 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 39 12.259 2.580 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 39 14.092 2.474 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.710 1.230 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.182 2.140 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.156 0.372 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.641 0.509 -8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.297 -0.480 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.915 0.882 -9.821 1.00 0.00 H new ATOM 613 N GLY A 40 11.876 -0.590 -9.783 1.00 0.00 N ATOM 614 CA GLY A 40 11.693 -1.592 -10.822 1.00 0.00 C ATOM 615 C GLY A 40 10.882 -0.989 -11.961 1.00 0.00 C ATOM 616 O GLY A 40 11.348 -0.950 -13.099 1.00 0.00 O ATOM 0 H GLY A 40 11.606 -0.903 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.661 -1.933 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.180 -2.464 -10.417 1.00 0.00 H new ATOM 620 N TYR A 41 9.677 -0.508 -11.661 1.00 0.00 N ATOM 621 CA TYR A 41 8.837 0.154 -12.633 1.00 0.00 C ATOM 622 C TYR A 41 9.442 1.489 -13.050 1.00 0.00 C ATOM 623 O TYR A 41 9.298 1.896 -14.195 1.00 0.00 O ATOM 624 CB TYR A 41 7.500 0.413 -11.944 1.00 0.00 C ATOM 625 CG TYR A 41 6.759 -0.841 -11.565 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.026 -1.546 -12.529 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.815 -1.302 -10.248 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.364 -2.731 -12.179 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.164 -2.490 -9.888 1.00 0.00 C ATOM 630 CZ TYR A 41 5.436 -3.211 -10.857 1.00 0.00 C ATOM 631 OH TYR A 41 4.805 -4.370 -10.523 1.00 0.00 O ATOM 0 H TYR A 41 9.263 -0.571 -10.731 1.00 0.00 H new ATOM 0 HA TYR A 41 8.730 -0.463 -13.525 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.673 1.007 -11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.871 1.010 -12.604 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.971 -1.176 -13.542 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.362 -0.741 -9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.800 -3.275 -12.922 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.220 -2.852 -8.872 1.00 0.00 H new ATOM 0 HH TYR A 41 5.257 -4.779 -9.756 1.00 0.00 H new ATOM 641 N SER A 42 10.118 2.172 -12.124 1.00 0.00 N ATOM 642 CA SER A 42 10.549 3.553 -12.314 1.00 0.00 C ATOM 643 C SER A 42 11.679 3.668 -13.326 1.00 0.00 C ATOM 644 O SER A 42 11.739 4.643 -14.073 1.00 0.00 O ATOM 645 CB SER A 42 11.013 4.146 -10.983 1.00 0.00 C ATOM 646 OG SER A 42 10.073 3.876 -9.972 1.00 0.00 O ATOM 0 H SER A 42 10.381 1.779 -11.220 1.00 0.00 H new ATOM 0 HA SER A 42 9.691 4.105 -12.697 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.982 3.728 -10.709 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.148 5.223 -11.085 1.00 0.00 H new ATOM 0 HG SER A 42 9.715 2.971 -10.091 1.00 0.00 H new ATOM 652 N ASN A 43 12.576 2.686 -13.364 1.00 0.00 N ATOM 653 CA ASN A 43 13.707 2.722 -14.275 1.00 0.00 C ATOM 654 C ASN A 43 13.246 2.316 -15.673 1.00 0.00 C ATOM 655 O ASN A 43 13.511 3.019 -16.646 1.00 0.00 O ATOM 656 CB ASN A 43 14.776 1.767 -13.750 1.00 0.00 C ATOM 657 CG ASN A 43 15.393 2.246 -12.447 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.774 2.972 -11.679 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.633 1.845 -12.189 1.00 0.00 N ATOM 0 H ASN A 43 12.538 1.856 -12.772 1.00 0.00 H new ATOM 0 HA ASN A 43 14.124 3.727 -14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.336 0.781 -13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.559 1.655 -14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.097 2.142 -11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.121 1.240 -12.850 1.00 0.00 H new ATOM 666 N LYS A 44 12.550 1.175 -15.772 1.00 0.00 N ATOM 667 CA LYS A 44 11.940 0.697 -17.009 1.00 0.00 C ATOM 668 C LYS A 44 11.012 1.780 -17.557 1.00 0.00 C ATOM 669 O LYS A 44 10.905 1.938 -18.766 1.00 0.00 O ATOM 670 CB LYS A 44 11.178 -0.584 -16.666 1.00 0.00 C ATOM 671 CG LYS A 44 10.486 -1.192 -17.881 1.00 0.00 C ATOM 672 CD LYS A 44 9.859 -2.531 -17.491 1.00 0.00 C ATOM 673 CE LYS A 44 9.188 -3.177 -18.702 1.00 0.00 C ATOM 674 NZ LYS A 44 8.616 -4.490 -18.354 1.00 0.00 N ATOM 0 H LYS A 44 12.396 0.552 -14.979 1.00 0.00 H new ATOM 0 HA LYS A 44 12.682 0.483 -17.778 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.870 -1.313 -16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.435 -0.367 -15.899 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.719 -0.513 -18.254 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.204 -1.336 -18.688 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.625 -3.197 -17.094 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.126 -2.380 -16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.402 -2.522 -19.078 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.916 -3.295 -19.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.242 -4.944 -19.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.356 -5.092 -17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.847 -4.362 -17.666 1.00 0.00 H new ATOM 688 N ALA A 45 10.340 2.531 -16.676 1.00 0.00 N ATOM 689 CA ALA A 45 9.374 3.542 -17.095 1.00 0.00 C ATOM 690 C ALA A 45 10.069 4.750 -17.708 1.00 0.00 C ATOM 691 O ALA A 45 9.711 5.163 -18.809 1.00 0.00 O ATOM 692 CB ALA A 45 8.541 4.002 -15.897 1.00 0.00 C ATOM 0 H ALA A 45 10.452 2.453 -15.665 1.00 0.00 H new ATOM 0 HA ALA A 45 8.728 3.090 -17.847 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.824 4.756 -16.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.007 3.150 -15.477 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.198 4.428 -15.139 1.00 0.00 H new ATOM 698 N MET A 46 11.059 5.325 -17.017 1.00 0.00 N ATOM 699 CA MET A 46 11.746 6.496 -17.545 1.00 0.00 C ATOM 700 C MET A 46 12.370 6.198 -18.902 1.00 0.00 C ATOM 701 O MET A 46 12.476 7.081 -19.753 1.00 0.00 O ATOM 702 CB MET A 46 12.816 6.943 -16.555 1.00 0.00 C ATOM 703 CG MET A 46 13.416 8.300 -16.927 1.00 0.00 C ATOM 704 SD MET A 46 12.336 9.747 -16.757 1.00 0.00 S ATOM 705 CE MET A 46 11.471 9.777 -18.346 1.00 0.00 C ATOM 0 H MET A 46 11.394 5.003 -16.109 1.00 0.00 H new ATOM 0 HA MET A 46 11.020 7.297 -17.682 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.383 7.000 -15.556 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.608 6.195 -16.517 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.300 8.461 -16.309 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.755 8.249 -17.962 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.234 10.807 -18.612 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.108 9.342 -19.116 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.549 9.200 -18.269 1.00 0.00 H new ATOM 715 N ALA A 47 12.785 4.947 -19.105 1.00 0.00 N ATOM 716 CA ALA A 47 13.353 4.521 -20.366 1.00 0.00 C ATOM 717 C ALA A 47 12.258 4.378 -21.424 1.00 0.00 C ATOM 718 O ALA A 47 12.496 4.703 -22.584 1.00 0.00 O ATOM 719 CB ALA A 47 14.058 3.196 -20.135 1.00 0.00 C ATOM 0 H ALA A 47 12.734 4.212 -18.400 1.00 0.00 H new ATOM 0 HA ALA A 47 14.064 5.262 -20.732 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.497 2.849 -21.071 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.844 3.327 -19.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.339 2.459 -19.777 1.00 0.00 H new ATOM 725 N LEU A 48 11.065 3.902 -21.047 1.00 0.00 N ATOM 726 CA LEU A 48 9.945 3.810 -21.971 1.00 0.00 C ATOM 727 C LEU A 48 9.540 5.189 -22.485 1.00 0.00 C ATOM 728 O LEU A 48 9.036 5.293 -23.595 1.00 0.00 O ATOM 729 CB LEU A 48 8.754 3.125 -21.300 1.00 0.00 C ATOM 730 CG LEU A 48 8.951 1.613 -21.171 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.851 1.047 -20.277 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.904 0.925 -22.531 1.00 0.00 C ATOM 0 H LEU A 48 10.857 3.575 -20.103 1.00 0.00 H new ATOM 0 HA LEU A 48 10.262 3.210 -22.824 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.601 3.555 -20.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.851 3.324 -21.877 1.00 0.00 H new ATOM 0 HG LEU A 48 9.933 1.428 -20.735 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.981 -0.031 -20.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.907 1.511 -19.293 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.878 1.255 -20.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.047 -0.148 -22.401 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.936 1.108 -22.998 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.695 1.322 -23.167 1.00 0.00 H new ATOM 744 N ILE A 49 9.752 6.256 -21.709 1.00 0.00 N ATOM 745 CA ILE A 49 9.486 7.605 -22.194 1.00 0.00 C ATOM 746 C ILE A 49 10.504 7.957 -23.269 1.00 0.00 C ATOM 747 O ILE A 49 10.143 8.457 -24.332 1.00 0.00 O ATOM 748 CB ILE A 49 9.591 8.599 -21.030 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.271 8.726 -20.264 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.988 9.989 -21.529 1.00 0.00 C ATOM 751 CD1 ILE A 49 7.989 7.512 -19.395 1.00 0.00 C ATOM 0 H ILE A 49 10.103 6.209 -20.753 1.00 0.00 H new ATOM 0 HA ILE A 49 8.482 7.655 -22.614 1.00 0.00 H new ATOM 0 HB ILE A 49 10.357 8.206 -20.362 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.301 9.618 -19.639 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.454 8.860 -20.973 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.055 10.674 -20.684 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.955 9.934 -22.029 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.237 10.352 -22.231 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.042 7.650 -18.873 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.931 6.622 -20.021 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.791 7.392 -18.667 1.00 0.00 H new ATOM 763 N LYS A 50 11.778 7.695 -22.983 1.00 0.00 N ATOM 764 CA LYS A 50 12.850 7.881 -23.932 1.00 0.00 C ATOM 765 C LYS A 50 12.728 6.948 -25.144 1.00 0.00 C ATOM 766 O LYS A 50 13.493 7.078 -26.097 1.00 0.00 O ATOM 767 CB LYS A 50 14.154 7.680 -23.176 1.00 0.00 C ATOM 768 CG LYS A 50 14.944 8.981 -23.166 1.00 0.00 C ATOM 769 CD LYS A 50 14.251 10.047 -22.320 1.00 0.00 C ATOM 770 CE LYS A 50 14.392 9.704 -20.841 1.00 0.00 C ATOM 771 NZ LYS A 50 14.206 10.903 -20.000 1.00 0.00 N ATOM 0 H LYS A 50 12.087 7.345 -22.076 1.00 0.00 H new ATOM 0 HA LYS A 50 12.809 8.885 -24.353 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.948 7.360 -22.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.740 6.890 -23.646 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.945 8.798 -22.775 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.062 9.345 -24.187 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.690 11.025 -22.520 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.197 10.110 -22.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.657 8.946 -20.568 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.377 9.275 -20.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.307 10.643 -18.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.923 11.615 -20.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.257 11.297 -20.162 1.00 0.00 H new ATOM 785 N LEU A 51 11.771 6.014 -25.113 1.00 0.00 N ATOM 786 CA LEU A 51 11.451 5.130 -26.219 1.00 0.00 C ATOM 787 C LEU A 51 10.110 5.562 -26.822 1.00 0.00 C ATOM 788 O LEU A 51 9.730 5.114 -27.900 1.00 0.00 O ATOM 789 CB LEU A 51 11.350 3.703 -25.680 1.00 0.00 C ATOM 790 CG LEU A 51 12.711 3.125 -25.280 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.502 1.846 -24.473 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.559 2.794 -26.503 1.00 0.00 C ATOM 0 H LEU A 51 11.187 5.855 -24.292 1.00 0.00 H new ATOM 0 HA LEU A 51 12.221 5.175 -26.989 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.687 3.692 -24.815 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.897 3.064 -26.438 1.00 0.00 H new ATOM 0 HG LEU A 51 13.232 3.877 -24.687 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.470 1.434 -24.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.925 2.072 -23.576 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.962 1.118 -25.078 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.517 2.386 -26.182 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.040 2.059 -27.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.727 3.700 -27.085 1.00 0.00 H new ATOM 804 N GLY A 52 9.402 6.443 -26.109 1.00 0.00 N ATOM 805 CA GLY A 52 8.092 6.962 -26.459 1.00 0.00 C ATOM 806 C GLY A 52 7.024 5.880 -26.366 1.00 0.00 C ATOM 807 O GLY A 52 5.941 6.010 -26.929 1.00 0.00 O ATOM 0 H GLY A 52 9.751 6.827 -25.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.836 7.787 -25.794 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.117 7.365 -27.471 1.00 0.00 H new ATOM 811 N GLU A 53 7.349 4.810 -25.640 1.00 0.00 N ATOM 812 CA GLU A 53 6.462 3.707 -25.313 1.00 0.00 C ATOM 813 C GLU A 53 5.751 4.023 -24.018 1.00 0.00 C ATOM 814 O GLU A 53 5.444 3.156 -23.204 1.00 0.00 O ATOM 815 CB GLU A 53 7.276 2.421 -25.248 1.00 0.00 C ATOM 816 CG GLU A 53 7.903 2.109 -26.607 1.00 0.00 C ATOM 817 CD GLU A 53 6.877 1.536 -27.579 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.679 0.300 -27.549 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.290 2.333 -28.347 1.00 0.00 O ATOM 0 H GLU A 53 8.283 4.689 -25.248 1.00 0.00 H new ATOM 0 HA GLU A 53 5.698 3.566 -26.078 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.058 2.517 -24.495 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.636 1.595 -24.939 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.335 3.018 -27.026 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.719 1.398 -26.477 1.00 0.00 H new ATOM 826 N TYR A 54 5.501 5.320 -23.873 1.00 0.00 N ATOM 827 CA TYR A 54 4.660 5.922 -22.877 1.00 0.00 C ATOM 828 C TYR A 54 3.450 5.058 -22.538 1.00 0.00 C ATOM 829 O TYR A 54 3.112 4.925 -21.368 1.00 0.00 O ATOM 830 CB TYR A 54 4.101 7.146 -23.550 1.00 0.00 C ATOM 831 CG TYR A 54 5.032 8.165 -24.144 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.196 8.553 -23.478 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.714 8.702 -25.400 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.068 9.470 -24.081 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.616 9.572 -26.034 1.00 0.00 C ATOM 836 CZ TYR A 54 6.790 9.976 -25.367 1.00 0.00 C ATOM 837 OH TYR A 54 7.649 10.848 -25.959 1.00 0.00 O ATOM 0 H TYR A 54 5.914 6.014 -24.496 1.00 0.00 H new ATOM 0 HA TYR A 54 5.234 6.093 -21.966 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.441 6.805 -24.348 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.478 7.662 -22.820 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.424 8.149 -22.503 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.779 8.448 -25.878 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.957 9.790 -23.558 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.410 9.931 -27.032 1.00 0.00 H new ATOM 0 HH TYR A 54 7.306 11.096 -26.843 1.00 0.00 H new ATOM 847 N THR A 55 2.789 4.470 -23.548 1.00 0.00 N ATOM 848 CA THR A 55 1.573 3.688 -23.338 1.00 0.00 C ATOM 849 C THR A 55 1.800 2.661 -22.244 1.00 0.00 C ATOM 850 O THR A 55 0.919 2.358 -21.444 1.00 0.00 O ATOM 851 CB THR A 55 1.169 2.973 -24.629 1.00 0.00 C ATOM 852 OG1 THR A 55 1.202 3.868 -25.716 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.240 2.417 -24.466 1.00 0.00 C ATOM 0 H THR A 55 3.084 4.526 -24.523 1.00 0.00 H new ATOM 0 HA THR A 55 0.773 4.366 -23.041 1.00 0.00 H new ATOM 0 HB THR A 55 1.870 2.162 -24.826 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.943 3.397 -26.535 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.537 1.905 -25.381 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.259 1.713 -23.634 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.933 3.234 -24.266 1.00 0.00 H new ATOM 861 N GLN A 56 3.024 2.139 -22.238 1.00 0.00 N ATOM 862 CA GLN A 56 3.495 1.166 -21.269 1.00 0.00 C ATOM 863 C GLN A 56 4.003 1.865 -20.014 1.00 0.00 C ATOM 864 O GLN A 56 3.745 1.418 -18.901 1.00 0.00 O ATOM 865 CB GLN A 56 4.625 0.362 -21.907 1.00 0.00 C ATOM 866 CG GLN A 56 4.218 -0.227 -23.259 1.00 0.00 C ATOM 867 CD GLN A 56 2.986 -1.109 -23.150 1.00 0.00 C ATOM 868 OE1 GLN A 56 3.076 -2.313 -22.931 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.816 -0.496 -23.309 1.00 0.00 N ATOM 0 H GLN A 56 3.731 2.391 -22.928 1.00 0.00 H new ATOM 0 HA GLN A 56 2.675 0.507 -20.983 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.496 1.003 -22.039 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.921 -0.444 -21.235 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.023 0.582 -23.963 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.046 -0.809 -23.664 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.786 0.507 -23.490 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.949 -1.029 -23.250 1.00 0.00 H new ATOM 878 N ALA A 57 4.727 2.970 -20.193 1.00 0.00 N ATOM 879 CA ALA A 57 5.257 3.763 -19.099 1.00 0.00 C ATOM 880 C ALA A 57 4.169 4.259 -18.147 1.00 0.00 C ATOM 881 O ALA A 57 4.391 4.329 -16.940 1.00 0.00 O ATOM 882 CB ALA A 57 5.973 4.962 -19.703 1.00 0.00 C ATOM 0 H ALA A 57 4.961 3.338 -21.115 1.00 0.00 H new ATOM 0 HA ALA A 57 5.929 3.135 -18.514 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.384 5.580 -18.905 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.781 4.616 -20.347 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.267 5.550 -20.290 1.00 0.00 H new ATOM 888 N ILE A 58 2.996 4.600 -18.684 1.00 0.00 N ATOM 889 CA ILE A 58 1.871 5.078 -17.894 1.00 0.00 C ATOM 890 C ILE A 58 1.448 3.974 -16.932 1.00 0.00 C ATOM 891 O ILE A 58 1.045 4.257 -15.805 1.00 0.00 O ATOM 892 CB ILE A 58 0.719 5.444 -18.838 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.131 6.562 -19.798 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.527 5.906 -18.089 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.376 6.416 -21.122 1.00 0.00 C ATOM 0 H ILE A 58 2.804 4.550 -19.684 1.00 0.00 H new ATOM 0 HA ILE A 58 2.149 5.963 -17.321 1.00 0.00 H new ATOM 0 HB ILE A 58 0.485 4.532 -19.388 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.917 7.533 -19.352 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.206 6.523 -19.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.311 6.152 -18.805 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.873 5.108 -17.432 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.288 6.788 -17.495 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.674 7.215 -21.801 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.612 5.451 -21.571 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.697 6.477 -20.938 1.00 0.00 H new ATOM 907 N GLN A 59 1.543 2.717 -17.376 1.00 0.00 N ATOM 908 CA GLN A 59 1.202 1.573 -16.558 1.00 0.00 C ATOM 909 C GLN A 59 2.278 1.330 -15.504 1.00 0.00 C ATOM 910 O GLN A 59 1.970 0.907 -14.394 1.00 0.00 O ATOM 911 CB GLN A 59 1.094 0.351 -17.455 1.00 0.00 C ATOM 912 CG GLN A 59 0.123 0.533 -18.612 1.00 0.00 C ATOM 913 CD GLN A 59 -1.160 1.206 -18.168 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.863 0.724 -17.284 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.472 2.335 -18.786 1.00 0.00 N ATOM 0 H GLN A 59 1.860 2.475 -18.315 1.00 0.00 H new ATOM 0 HA GLN A 59 0.255 1.761 -16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.081 0.113 -17.853 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.778 -0.503 -16.856 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.595 1.129 -19.393 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.108 -0.438 -19.049 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.861 2.703 -19.516 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.323 2.837 -18.532 1.00 0.00 H new ATOM 924 N MET A 60 3.542 1.599 -15.845 1.00 0.00 N ATOM 925 CA MET A 60 4.654 1.421 -14.915 1.00 0.00 C ATOM 926 C MET A 60 4.609 2.464 -13.799 1.00 0.00 C ATOM 927 O MET A 60 4.793 2.126 -12.631 1.00 0.00 O ATOM 928 CB MET A 60 5.989 1.564 -15.647 1.00 0.00 C ATOM 929 CG MET A 60 6.227 0.573 -16.787 1.00 0.00 C ATOM 930 SD MET A 60 6.152 -1.184 -16.355 1.00 0.00 S ATOM 931 CE MET A 60 4.391 -1.460 -16.656 1.00 0.00 C ATOM 0 H MET A 60 3.818 1.943 -16.765 1.00 0.00 H new ATOM 0 HA MET A 60 4.563 0.423 -14.487 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.056 2.575 -16.049 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.795 1.455 -14.921 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.489 0.765 -17.566 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.207 0.777 -17.218 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.230 -2.497 -16.950 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.829 -1.250 -15.746 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.050 -0.800 -17.454 1.00 0.00 H new ATOM 941 N CYS A 61 4.366 3.733 -14.142 1.00 0.00 N ATOM 942 CA CYS A 61 4.456 4.807 -13.167 1.00 0.00 C ATOM 943 C CYS A 61 3.367 4.631 -12.100 1.00 0.00 C ATOM 944 O CYS A 61 3.641 4.660 -10.905 1.00 0.00 O ATOM 945 CB CYS A 61 4.340 6.147 -13.888 1.00 0.00 C ATOM 946 SG CYS A 61 5.769 6.348 -14.982 1.00 0.00 S ATOM 0 H CYS A 61 4.108 4.033 -15.082 1.00 0.00 H new ATOM 0 HA CYS A 61 5.419 4.779 -12.658 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.415 6.187 -14.464 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.301 6.962 -13.165 1.00 0.00 H new ATOM 0 HG CYS A 61 5.613 5.609 -16.040 1.00 0.00 H new ATOM 952 N GLN A 62 2.116 4.441 -12.513 1.00 0.00 N ATOM 953 CA GLN A 62 1.036 4.199 -11.566 1.00 0.00 C ATOM 954 C GLN A 62 1.214 2.925 -10.724 1.00 0.00 C ATOM 955 O GLN A 62 0.746 2.891 -9.588 1.00 0.00 O ATOM 956 CB GLN A 62 -0.298 4.213 -12.311 1.00 0.00 C ATOM 957 CG GLN A 62 -0.377 3.136 -13.394 1.00 0.00 C ATOM 958 CD GLN A 62 -1.214 1.929 -12.973 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.854 1.294 -13.805 1.00 0.00 O ATOM 960 NE2 GLN A 62 -1.226 1.596 -11.684 1.00 0.00 N ATOM 0 H GLN A 62 1.828 4.450 -13.492 1.00 0.00 H new ATOM 0 HA GLN A 62 1.056 5.008 -10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.110 4.067 -11.598 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.446 5.192 -12.766 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.803 3.569 -14.299 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.631 2.804 -13.643 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.685 2.140 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.776 0.797 -11.369 1.00 0.00 H new ATOM 969 N GLN A 63 1.868 1.876 -11.239 1.00 0.00 N ATOM 970 CA GLN A 63 2.169 0.680 -10.454 1.00 0.00 C ATOM 971 C GLN A 63 3.205 0.988 -9.386 1.00 0.00 C ATOM 972 O GLN A 63 3.061 0.521 -8.263 1.00 0.00 O ATOM 973 CB GLN A 63 2.727 -0.397 -11.389 1.00 0.00 C ATOM 974 CG GLN A 63 1.802 -1.608 -11.513 1.00 0.00 C ATOM 975 CD GLN A 63 0.383 -1.242 -11.942 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.549 -1.336 -11.148 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.208 -0.826 -13.190 1.00 0.00 N ATOM 0 H GLN A 63 2.199 1.835 -12.203 1.00 0.00 H new ATOM 0 HA GLN A 63 1.255 0.335 -9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.889 0.034 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.699 -0.724 -11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.224 -2.306 -12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.762 -2.126 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.006 -0.760 -13.822 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.724 -0.572 -13.517 1.00 0.00 H new ATOM 986 N GLY A 64 4.242 1.769 -9.699 1.00 0.00 N ATOM 987 CA GLY A 64 5.221 2.153 -8.698 1.00 0.00 C ATOM 988 C GLY A 64 4.556 2.660 -7.412 1.00 0.00 C ATOM 989 O GLY A 64 5.074 2.428 -6.324 1.00 0.00 O ATOM 0 H GLY A 64 4.419 2.142 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.857 1.299 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.868 2.931 -9.103 1.00 0.00 H new ATOM 993 N LEU A 65 3.412 3.346 -7.524 1.00 0.00 N ATOM 994 CA LEU A 65 2.718 3.950 -6.385 1.00 0.00 C ATOM 995 C LEU A 65 2.057 2.927 -5.464 1.00 0.00 C ATOM 996 O LEU A 65 1.514 3.292 -4.421 1.00 0.00 O ATOM 997 CB LEU A 65 1.654 4.917 -6.902 1.00 0.00 C ATOM 998 CG LEU A 65 2.339 6.058 -7.644 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.322 6.805 -8.498 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.992 7.012 -6.641 1.00 0.00 C ATOM 0 H LEU A 65 2.940 3.497 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 65 3.473 4.468 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.963 4.397 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.065 5.308 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 65 3.112 5.650 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.818 7.619 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.881 6.119 -9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.538 7.211 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.480 7.826 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.229 7.421 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.732 6.470 -6.052 1.00 0.00 H new ATOM 1012 N ARG A 66 2.096 1.651 -5.839 1.00 0.00 N ATOM 1013 CA ARG A 66 1.571 0.559 -5.043 1.00 0.00 C ATOM 1014 C ARG A 66 2.645 0.141 -4.050 1.00 0.00 C ATOM 1015 O ARG A 66 2.395 -0.570 -3.079 1.00 0.00 O ATOM 1016 CB ARG A 66 1.296 -0.564 -6.033 1.00 0.00 C ATOM 1017 CG ARG A 66 0.218 -0.134 -7.019 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.016 -1.260 -8.018 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.607 -2.440 -7.376 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.261 -3.402 -8.031 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.434 -3.336 -9.349 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.748 -4.443 -7.362 1.00 0.00 N ATOM 0 H ARG A 66 2.503 1.347 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 66 0.670 0.822 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.210 -0.820 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.977 -1.460 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.706 0.098 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.524 0.774 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.674 -0.910 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.930 -1.535 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.512 -2.531 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.065 -2.543 -9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.936 -4.079 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.621 -4.505 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.248 -5.180 -7.859 1.00 0.00 H new ATOM 1036 N TYR A 67 3.852 0.620 -4.349 1.00 0.00 N ATOM 1037 CA TYR A 67 5.096 0.308 -3.679 1.00 0.00 C ATOM 1038 C TYR A 67 5.816 1.535 -3.118 1.00 0.00 C ATOM 1039 O TYR A 67 7.041 1.545 -3.054 1.00 0.00 O ATOM 1040 CB TYR A 67 5.921 -0.405 -4.740 1.00 0.00 C ATOM 1041 CG TYR A 67 5.069 -1.430 -5.447 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.473 -2.471 -4.724 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.825 -1.300 -6.817 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.638 -3.390 -5.365 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.963 -2.193 -7.464 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.371 -3.253 -6.745 1.00 0.00 C ATOM 1047 OH TYR A 67 2.549 -4.138 -7.379 1.00 0.00 O ATOM 0 H TYR A 67 3.986 1.278 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 67 4.925 -0.305 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.308 0.317 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.782 -0.890 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.660 -2.564 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.302 -0.509 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.198 -4.203 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.751 -2.070 -8.516 1.00 0.00 H new ATOM 0 HH TYR A 67 2.474 -3.895 -8.325 1.00 0.00 H new ATOM 1057 N THR A 68 5.081 2.573 -2.706 1.00 0.00 N ATOM 1058 CA THR A 68 5.670 3.784 -2.133 1.00 0.00 C ATOM 1059 C THR A 68 5.026 4.136 -0.795 1.00 0.00 C ATOM 1060 O THR A 68 5.036 5.293 -0.382 1.00 0.00 O ATOM 1061 CB THR A 68 5.575 4.958 -3.111 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.240 5.144 -3.527 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.455 4.720 -4.335 1.00 0.00 C ATOM 0 H THR A 68 4.063 2.596 -2.761 1.00 0.00 H new ATOM 0 HA THR A 68 6.725 3.582 -1.950 1.00 0.00 H new ATOM 0 HB THR A 68 5.923 5.852 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.941 6.042 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.370 5.568 -5.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.493 4.609 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.131 3.813 -4.845 1.00 0.00 H new ATOM 1071 N SER A 69 4.461 3.133 -0.114 1.00 0.00 N ATOM 1072 CA SER A 69 3.833 3.279 1.196 1.00 0.00 C ATOM 1073 C SER A 69 4.821 3.641 2.309 1.00 0.00 C ATOM 1074 O SER A 69 4.440 3.675 3.478 1.00 0.00 O ATOM 1075 CB SER A 69 3.156 1.961 1.558 1.00 0.00 C ATOM 1076 OG SER A 69 2.131 1.664 0.633 1.00 0.00 O ATOM 0 H SER A 69 4.429 2.178 -0.470 1.00 0.00 H new ATOM 0 HA SER A 69 3.120 4.100 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.892 1.157 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.740 2.022 2.564 1.00 0.00 H new ATOM 0 HG SER A 69 1.707 0.815 0.877 1.00 0.00 H new ATOM 1082 N THR A 70 6.082 3.904 1.960 1.00 0.00 N ATOM 1083 CA THR A 70 7.136 4.207 2.922 1.00 0.00 C ATOM 1084 C THR A 70 8.048 5.327 2.415 1.00 0.00 C ATOM 1085 O THR A 70 8.140 5.566 1.211 1.00 0.00 O ATOM 1086 CB THR A 70 7.926 2.925 3.211 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.036 3.223 4.026 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.412 2.262 1.921 1.00 0.00 C ATOM 0 H THR A 70 6.400 3.912 0.991 1.00 0.00 H new ATOM 0 HA THR A 70 6.688 4.567 3.848 1.00 0.00 H new ATOM 0 HB THR A 70 7.259 2.231 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.537 2.401 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.968 1.357 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.555 2.005 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.060 2.951 1.380 1.00 0.00 H new ATOM 1096 N ALA A 71 8.723 6.013 3.345 1.00 0.00 N ATOM 1097 CA ALA A 71 9.540 7.182 3.054 1.00 0.00 C ATOM 1098 C ALA A 71 10.885 6.845 2.408 1.00 0.00 C ATOM 1099 O ALA A 71 11.606 7.758 2.014 1.00 0.00 O ATOM 1100 CB ALA A 71 9.752 7.970 4.345 1.00 0.00 C ATOM 0 H ALA A 71 8.712 5.762 4.334 1.00 0.00 H new ATOM 0 HA ALA A 71 9.001 7.780 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.363 8.849 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.787 8.284 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.258 7.340 5.077 1.00 0.00 H new ATOM 1106 N GLU A 72 11.247 5.565 2.284 1.00 0.00 N ATOM 1107 CA GLU A 72 12.423 5.203 1.506 1.00 0.00 C ATOM 1108 C GLU A 72 12.107 5.302 0.017 1.00 0.00 C ATOM 1109 O GLU A 72 13.018 5.326 -0.810 1.00 0.00 O ATOM 1110 CB GLU A 72 12.857 3.776 1.835 1.00 0.00 C ATOM 1111 CG GLU A 72 11.732 2.769 1.627 1.00 0.00 C ATOM 1112 CD GLU A 72 12.147 1.382 2.102 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.871 0.701 1.340 1.00 0.00 O ATOM 1114 OE2 GLU A 72 11.738 1.007 3.223 1.00 0.00 O ATOM 0 H GLU A 72 10.751 4.780 2.705 1.00 0.00 H new ATOM 0 HA GLU A 72 13.232 5.890 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.707 3.503 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.196 3.731 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.844 3.093 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.464 2.731 0.571 1.00 0.00 H new ATOM 1121 N HIS A 73 10.816 5.361 -0.316 1.00 0.00 N ATOM 1122 CA HIS A 73 10.332 5.329 -1.686 1.00 0.00 C ATOM 1123 C HIS A 73 9.555 6.600 -2.024 1.00 0.00 C ATOM 1124 O HIS A 73 8.829 6.645 -3.013 1.00 0.00 O ATOM 1125 CB HIS A 73 9.485 4.072 -1.909 1.00 0.00 C ATOM 1126 CG HIS A 73 10.250 2.773 -1.887 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.674 1.502 -1.910 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.606 2.640 -1.863 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.700 0.638 -1.914 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.873 1.293 -1.882 1.00 0.00 N ATOM 0 H HIS A 73 10.069 5.434 0.375 1.00 0.00 H new ATOM 0 HA HIS A 73 11.187 5.290 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.712 4.033 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.977 4.161 -2.869 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.679 1.277 -1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.331 3.440 -1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.597 -0.437 -1.939 1.00 0.00 H new ATOM 1138 N VAL A 74 9.696 7.649 -1.211 1.00 0.00 N ATOM 1139 CA VAL A 74 9.080 8.936 -1.514 1.00 0.00 C ATOM 1140 C VAL A 74 9.769 9.582 -2.715 1.00 0.00 C ATOM 1141 O VAL A 74 9.144 10.306 -3.487 1.00 0.00 O ATOM 1142 CB VAL A 74 9.180 9.845 -0.292 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.630 10.120 0.105 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.515 11.178 -0.601 1.00 0.00 C ATOM 0 H VAL A 74 10.230 7.630 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 74 8.030 8.784 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 74 8.685 9.334 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.651 10.771 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.127 9.179 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.148 10.606 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.585 11.830 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.017 11.648 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.466 11.013 -0.848 1.00 0.00 H new ATOM 1154 N ALA A 75 11.064 9.307 -2.862 1.00 0.00 N ATOM 1155 CA ALA A 75 11.885 9.793 -3.961 1.00 0.00 C ATOM 1156 C ALA A 75 11.260 9.419 -5.293 1.00 0.00 C ATOM 1157 O ALA A 75 11.157 10.213 -6.226 1.00 0.00 O ATOM 1158 CB ALA A 75 13.211 9.052 -3.875 1.00 0.00 C ATOM 0 H ALA A 75 11.581 8.726 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 75 11.991 10.876 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.865 9.382 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.683 9.262 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.035 7.980 -3.966 1.00 0.00 H new ATOM 1164 N ILE A 76 10.850 8.161 -5.321 1.00 0.00 N ATOM 1165 CA ILE A 76 10.255 7.445 -6.416 1.00 0.00 C ATOM 1166 C ILE A 76 8.830 7.895 -6.652 1.00 0.00 C ATOM 1167 O ILE A 76 8.394 8.034 -7.791 1.00 0.00 O ATOM 1168 CB ILE A 76 10.256 6.025 -5.892 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.630 5.410 -6.084 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.132 5.187 -6.465 1.00 0.00 C ATOM 1171 CD1 ILE A 76 11.696 4.652 -7.393 1.00 0.00 C ATOM 0 H ILE A 76 10.938 7.568 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 76 10.779 7.587 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 76 10.051 6.051 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.389 6.192 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.852 4.737 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.183 4.179 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.174 5.637 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.229 5.141 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.689 4.218 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.951 3.857 -7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.496 5.334 -8.219 1.00 0.00 H new ATOM 1183 N ARG A 77 8.105 8.123 -5.557 1.00 0.00 N ATOM 1184 CA ARG A 77 6.720 8.555 -5.634 1.00 0.00 C ATOM 1185 C ARG A 77 6.628 9.832 -6.457 1.00 0.00 C ATOM 1186 O ARG A 77 5.643 10.080 -7.149 1.00 0.00 O ATOM 1187 CB ARG A 77 6.184 8.779 -4.225 1.00 0.00 C ATOM 1188 CG ARG A 77 4.666 8.908 -4.263 1.00 0.00 C ATOM 1189 CD ARG A 77 4.226 9.561 -2.962 1.00 0.00 C ATOM 1190 NE ARG A 77 2.765 9.681 -2.892 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.106 10.180 -1.844 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.759 10.612 -0.768 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.778 10.251 -1.865 1.00 0.00 N ATOM 0 H ARG A 77 8.460 8.014 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 77 6.117 7.788 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.471 7.948 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.624 9.680 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.354 9.509 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.201 7.928 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.585 8.973 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.678 10.549 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 77 2.220 9.364 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.777 10.564 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.241 10.991 0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.263 9.924 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.275 10.632 -1.064 1.00 0.00 H new ATOM 1207 N SER A 78 7.681 10.637 -6.368 1.00 0.00 N ATOM 1208 CA SER A 78 7.806 11.869 -7.124 1.00 0.00 C ATOM 1209 C SER A 78 7.940 11.580 -8.615 1.00 0.00 C ATOM 1210 O SER A 78 7.491 12.375 -9.438 1.00 0.00 O ATOM 1211 CB SER A 78 9.062 12.584 -6.625 1.00 0.00 C ATOM 1212 OG SER A 78 9.138 13.887 -7.167 1.00 0.00 O ATOM 0 H SER A 78 8.478 10.447 -5.761 1.00 0.00 H new ATOM 0 HA SER A 78 6.918 12.485 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.049 12.637 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.948 12.015 -6.906 1.00 0.00 H new ATOM 0 HG SER A 78 9.946 14.332 -6.837 1.00 0.00 H new ATOM 1218 N LYS A 79 8.556 10.449 -8.976 1.00 0.00 N ATOM 1219 CA LYS A 79 8.803 10.111 -10.368 1.00 0.00 C ATOM 1220 C LYS A 79 7.577 9.472 -10.997 1.00 0.00 C ATOM 1221 O LYS A 79 7.249 9.743 -12.147 1.00 0.00 O ATOM 1222 CB LYS A 79 9.987 9.146 -10.411 1.00 0.00 C ATOM 1223 CG LYS A 79 11.183 9.810 -9.731 1.00 0.00 C ATOM 1224 CD LYS A 79 12.453 8.992 -9.928 1.00 0.00 C ATOM 1225 CE LYS A 79 13.561 9.685 -9.141 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.877 9.087 -9.417 1.00 0.00 N ATOM 0 H LYS A 79 8.892 9.752 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 79 9.026 11.014 -10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.734 8.214 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.231 8.893 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.326 10.811 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.982 9.924 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.311 7.970 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.712 8.931 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.581 10.744 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.347 9.618 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.495 9.212 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.763 8.072 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.304 9.553 -10.243 1.00 0.00 H new ATOM 1240 N LEU A 80 6.890 8.619 -10.240 1.00 0.00 N ATOM 1241 CA LEU A 80 5.711 7.907 -10.710 1.00 0.00 C ATOM 1242 C LEU A 80 4.558 8.854 -11.042 1.00 0.00 C ATOM 1243 O LEU A 80 3.548 8.426 -11.582 1.00 0.00 O ATOM 1244 CB LEU A 80 5.279 6.955 -9.601 1.00 0.00 C ATOM 1245 CG LEU A 80 6.124 5.677 -9.474 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.482 5.669 -10.163 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.283 5.371 -7.992 1.00 0.00 C ATOM 0 H LEU A 80 7.141 8.403 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 80 5.962 7.374 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.311 7.489 -8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.241 6.670 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 80 5.574 4.907 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.970 4.709 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.348 5.823 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.101 6.468 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.880 4.467 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.783 6.205 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.301 5.221 -7.544 1.00 0.00 H new ATOM 1259 N GLN A 81 4.711 10.137 -10.723 1.00 0.00 N ATOM 1260 CA GLN A 81 3.775 11.204 -10.992 1.00 0.00 C ATOM 1261 C GLN A 81 4.218 12.151 -12.101 1.00 0.00 C ATOM 1262 O GLN A 81 3.421 12.962 -12.562 1.00 0.00 O ATOM 1263 CB GLN A 81 3.804 11.999 -9.693 1.00 0.00 C ATOM 1264 CG GLN A 81 2.698 11.635 -8.733 1.00 0.00 C ATOM 1265 CD GLN A 81 2.332 10.172 -8.740 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.267 9.791 -9.212 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.228 9.353 -8.214 1.00 0.00 N ATOM 0 H GLN A 81 5.546 10.470 -10.241 1.00 0.00 H new ATOM 0 HA GLN A 81 2.813 10.798 -11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.765 11.842 -9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.735 13.062 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.999 11.918 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.812 12.221 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.099 9.725 -7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.048 8.349 -8.188 1.00 0.00 H new ATOM 1276 N TYR A 82 5.475 12.064 -12.537 1.00 0.00 N ATOM 1277 CA TYR A 82 5.983 12.976 -13.557 1.00 0.00 C ATOM 1278 C TYR A 82 5.940 12.362 -14.949 1.00 0.00 C ATOM 1279 O TYR A 82 5.390 12.968 -15.864 1.00 0.00 O ATOM 1280 CB TYR A 82 7.416 13.355 -13.211 1.00 0.00 C ATOM 1281 CG TYR A 82 8.255 13.753 -14.407 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.170 15.044 -14.946 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.130 12.814 -14.968 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.011 15.414 -16.009 1.00 0.00 C ATOM 1285 CE2 TYR A 82 9.997 13.182 -16.003 1.00 0.00 C ATOM 1286 CZ TYR A 82 9.937 14.487 -16.532 1.00 0.00 C ATOM 1287 OH TYR A 82 10.771 14.852 -17.547 1.00 0.00 O ATOM 0 H TYR A 82 6.152 11.378 -12.203 1.00 0.00 H new ATOM 0 HA TYR A 82 5.343 13.858 -13.570 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.401 14.181 -12.500 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.893 12.512 -12.710 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.460 15.752 -14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.136 11.799 -14.599 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.949 16.408 -16.426 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.708 12.470 -16.394 1.00 0.00 H new ATOM 0 HH TYR A 82 11.345 14.095 -17.787 1.00 0.00 H new ATOM 1297 N ARG A 83 6.514 11.166 -15.128 1.00 0.00 N ATOM 1298 CA ARG A 83 6.476 10.539 -16.441 1.00 0.00 C ATOM 1299 C ARG A 83 5.053 10.078 -16.703 1.00 0.00 C ATOM 1300 O ARG A 83 4.650 9.869 -17.843 1.00 0.00 O ATOM 1301 CB ARG A 83 7.422 9.355 -16.564 1.00 0.00 C ATOM 1302 CG ARG A 83 8.830 9.515 -16.007 1.00 0.00 C ATOM 1303 CD ARG A 83 8.859 9.256 -14.497 1.00 0.00 C ATOM 1304 NE ARG A 83 10.256 9.220 -14.046 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.919 8.104 -13.738 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.307 6.926 -13.778 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.200 8.171 -13.389 1.00 0.00 N ATOM 0 H ARG A 83 6.994 10.633 -14.403 1.00 0.00 H new ATOM 0 HA ARG A 83 6.803 11.276 -17.175 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.959 8.503 -16.067 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.506 9.101 -17.621 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.504 8.823 -16.511 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.194 10.522 -16.213 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.313 10.039 -13.970 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.364 8.312 -14.267 1.00 0.00 H new ATOM 0 HE ARG A 83 10.752 10.107 -13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.324 6.871 -14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.820 6.077 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.673 9.074 -13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.709 7.319 -13.153 1.00 0.00 H new ATOM 1321 N LEU A 84 4.298 9.928 -15.617 1.00 0.00 N ATOM 1322 CA LEU A 84 2.905 9.549 -15.647 1.00 0.00 C ATOM 1323 C LEU A 84 2.073 10.699 -16.203 1.00 0.00 C ATOM 1324 O LEU A 84 0.942 10.503 -16.633 1.00 0.00 O ATOM 1325 CB LEU A 84 2.505 9.229 -14.210 1.00 0.00 C ATOM 1326 CG LEU A 84 1.019 8.906 -14.048 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.606 7.757 -14.979 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.780 8.560 -12.579 1.00 0.00 C ATOM 0 H LEU A 84 4.656 10.072 -14.673 1.00 0.00 H new ATOM 0 HA LEU A 84 2.737 8.684 -16.288 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.093 8.382 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.756 10.078 -13.574 1.00 0.00 H new ATOM 0 HG LEU A 84 0.406 9.763 -14.328 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.455 7.545 -14.846 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.792 8.043 -16.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.187 6.867 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.273 8.324 -12.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.388 7.698 -12.305 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.054 9.411 -11.956 1.00 0.00 H new ATOM 1340 N GLU A 85 2.640 11.902 -16.196 1.00 0.00 N ATOM 1341 CA GLU A 85 2.000 13.104 -16.695 1.00 0.00 C ATOM 1342 C GLU A 85 2.683 13.639 -17.955 1.00 0.00 C ATOM 1343 O GLU A 85 2.368 14.746 -18.394 1.00 0.00 O ATOM 1344 CB GLU A 85 1.990 14.144 -15.579 1.00 0.00 C ATOM 1345 CG GLU A 85 1.135 13.611 -14.434 1.00 0.00 C ATOM 1346 CD GLU A 85 0.853 14.669 -13.368 1.00 0.00 C ATOM 1347 OE1 GLU A 85 1.558 15.704 -13.353 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.078 14.438 -12.564 1.00 0.00 O ATOM 0 H GLU A 85 3.579 12.066 -15.834 1.00 0.00 H new ATOM 0 HA GLU A 85 0.977 12.869 -16.988 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.005 14.341 -15.235 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.588 15.089 -15.945 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.190 13.242 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.640 12.762 -13.973 1.00 0.00 H new ATOM 1355 N LEU A 86 3.610 12.872 -18.542 1.00 0.00 N ATOM 1356 CA LEU A 86 4.201 13.237 -19.821 1.00 0.00 C ATOM 1357 C LEU A 86 3.945 12.145 -20.858 1.00 0.00 C ATOM 1358 O LEU A 86 3.663 12.451 -22.015 1.00 0.00 O ATOM 1359 CB LEU A 86 5.698 13.527 -19.626 1.00 0.00 C ATOM 1360 CG LEU A 86 6.590 12.284 -19.721 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.967 12.030 -21.188 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.866 12.452 -18.894 1.00 0.00 C ATOM 0 H LEU A 86 3.961 11.999 -18.148 1.00 0.00 H new ATOM 0 HA LEU A 86 3.734 14.145 -20.203 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.018 14.250 -20.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.844 13.993 -18.651 1.00 0.00 H new ATOM 0 HG LEU A 86 6.031 11.436 -19.325 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.601 11.146 -21.253 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.062 11.871 -21.774 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.506 12.893 -21.580 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.477 11.554 -18.982 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.428 13.311 -19.262 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.603 12.611 -17.848 1.00 0.00 H new ATOM 1374 N ALA A 87 4.042 10.875 -20.454 1.00 0.00 N ATOM 1375 CA ALA A 87 3.832 9.722 -21.290 1.00 0.00 C ATOM 1376 C ALA A 87 2.429 9.776 -21.881 1.00 0.00 C ATOM 1377 O ALA A 87 2.281 9.918 -23.087 1.00 0.00 O ATOM 1378 CB ALA A 87 4.009 8.486 -20.403 1.00 0.00 C ATOM 0 H ALA A 87 4.279 10.628 -19.493 1.00 0.00 H new ATOM 0 HA ALA A 87 4.540 9.690 -22.118 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.858 7.586 -20.999 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.016 8.479 -19.985 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.280 8.512 -19.593 1.00 0.00 H new ATOM 1384 N GLN A 88 1.388 9.668 -21.050 1.00 0.00 N ATOM 1385 CA GLN A 88 0.022 9.700 -21.550 1.00 0.00 C ATOM 1386 C GLN A 88 -0.306 11.001 -22.268 1.00 0.00 C ATOM 1387 O GLN A 88 -1.219 11.048 -23.089 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.991 9.445 -20.447 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.868 10.343 -19.221 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.950 9.969 -18.211 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -3.139 10.054 -18.502 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.545 9.549 -17.017 1.00 0.00 N ATOM 0 H GLN A 88 1.469 9.559 -20.039 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.047 8.891 -22.277 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.992 9.563 -20.863 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.899 8.407 -20.126 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.119 10.232 -18.772 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.970 11.389 -19.510 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.548 9.490 -16.808 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.231 9.285 -16.309 1.00 0.00 H new ATOM 1401 N GLY A 89 0.444 12.057 -21.960 1.00 0.00 N ATOM 1402 CA GLY A 89 0.289 13.351 -22.596 1.00 0.00 C ATOM 1403 C GLY A 89 0.979 13.355 -23.960 1.00 0.00 C ATOM 1404 O GLY A 89 1.030 14.382 -24.631 1.00 0.00 O ATOM 0 H GLY A 89 1.181 12.032 -21.255 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.770 13.581 -22.715 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.715 14.129 -21.963 1.00 0.00 H new ATOM 1408 N ALA A 90 1.504 12.193 -24.358 1.00 0.00 N ATOM 1409 CA ALA A 90 2.158 11.963 -25.632 1.00 0.00 C ATOM 1410 C ALA A 90 1.631 10.674 -26.285 1.00 0.00 C ATOM 1411 O ALA A 90 2.122 10.265 -27.337 1.00 0.00 O ATOM 1412 CB ALA A 90 3.664 11.895 -25.397 1.00 0.00 C ATOM 0 H ALA A 90 1.480 11.359 -23.772 1.00 0.00 H new ATOM 0 HA ALA A 90 1.939 12.781 -26.319 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.173 11.722 -26.345 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.008 12.836 -24.967 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.889 11.078 -24.711 1.00 0.00 H new ATOM 1418 N VAL A 91 0.628 10.038 -25.658 1.00 0.00 N ATOM 1419 CA VAL A 91 0.040 8.766 -26.090 1.00 0.00 C ATOM 1420 C VAL A 91 -1.437 8.878 -26.388 1.00 0.00 C ATOM 1421 O VAL A 91 -1.947 8.320 -27.358 1.00 0.00 O ATOM 1422 CB VAL A 91 0.153 7.811 -24.926 1.00 0.00 C ATOM 1423 CG1 VAL A 91 -0.430 6.410 -25.009 1.00 0.00 C ATOM 1424 CG2 VAL A 91 1.586 7.513 -24.752 1.00 0.00 C ATOM 0 H VAL A 91 0.194 10.408 -24.813 1.00 0.00 H new ATOM 0 HA VAL A 91 0.561 8.445 -26.992 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.405 8.345 -24.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.245 5.883 -24.073 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.504 6.473 -25.184 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.040 5.868 -25.830 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.716 6.823 -23.918 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.976 7.059 -25.663 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.127 8.437 -24.547 1.00 0.00 H new ATOM 1434 N GLY A 92 -2.105 9.616 -25.514 1.00 0.00 N ATOM 1435 CA GLY A 92 -3.551 9.684 -25.484 1.00 0.00 C ATOM 1436 C GLY A 92 -4.080 11.042 -25.034 1.00 0.00 C ATOM 1437 O GLY A 92 -5.192 11.125 -24.512 1.00 0.00 O ATOM 0 H GLY A 92 -1.651 10.188 -24.802 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.939 9.461 -26.478 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.931 8.913 -24.813 1.00 0.00 H new ATOM 1441 N SER A 93 -3.292 12.105 -25.228 1.00 0.00 N ATOM 1442 CA SER A 93 -3.690 13.464 -24.890 1.00 0.00 C ATOM 1443 C SER A 93 -4.956 13.872 -25.649 1.00 0.00 C ATOM 1444 O SER A 93 -5.374 13.191 -26.588 1.00 0.00 O ATOM 1445 CB SER A 93 -2.535 14.420 -25.204 1.00 0.00 C ATOM 1446 OG SER A 93 -2.822 15.709 -24.701 1.00 0.00 O ATOM 0 H SER A 93 -2.355 12.040 -25.627 1.00 0.00 H new ATOM 0 HA SER A 93 -3.919 13.513 -23.825 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.612 14.046 -24.761 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.375 14.469 -26.281 1.00 0.00 H new ATOM 0 HG SER A 93 -2.078 16.313 -24.905 1.00 0.00 H new ATOM 1452 N VAL A 94 -5.570 14.990 -25.243 1.00 0.00 N ATOM 1453 CA VAL A 94 -6.830 15.487 -25.790 1.00 0.00 C ATOM 1454 C VAL A 94 -7.861 14.367 -25.847 1.00 0.00 C ATOM 1455 O VAL A 94 -8.128 13.779 -26.894 1.00 0.00 O ATOM 1456 CB VAL A 94 -6.598 16.175 -27.135 1.00 0.00 C ATOM 1457 CG1 VAL A 94 -7.895 16.816 -27.633 1.00 0.00 C ATOM 1458 CG2 VAL A 94 -5.544 17.266 -26.967 1.00 0.00 C ATOM 0 H VAL A 94 -5.192 15.586 -24.507 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.241 16.249 -25.128 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.262 15.431 -27.858 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.716 17.303 -28.592 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.658 16.047 -27.753 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.237 17.556 -26.909 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.375 17.759 -27.924 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.891 17.998 -26.238 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.612 16.821 -26.619 1.00 0.00 H new ATOM 1468 N GLN A 95 -8.438 14.084 -24.680 1.00 0.00 N ATOM 1469 CA GLN A 95 -9.321 12.947 -24.468 1.00 0.00 C ATOM 1470 C GLN A 95 -10.687 13.398 -23.946 1.00 0.00 C ATOM 1471 O GLN A 95 -11.489 12.583 -23.495 1.00 0.00 O ATOM 1472 CB GLN A 95 -8.627 11.975 -23.512 1.00 0.00 C ATOM 1473 CG GLN A 95 -8.373 12.626 -22.146 1.00 0.00 C ATOM 1474 CD GLN A 95 -7.243 11.921 -21.414 1.00 0.00 C ATOM 1475 OE1 GLN A 95 -7.462 10.945 -20.700 1.00 0.00 O ATOM 1476 NE2 GLN A 95 -6.016 12.411 -21.582 1.00 0.00 N ATOM 0 H GLN A 95 -8.300 14.651 -23.843 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.514 12.439 -25.413 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.243 11.085 -23.385 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.681 11.649 -23.944 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.124 13.679 -22.280 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.282 12.587 -21.545 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.869 13.223 -22.182 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.224 11.974 -21.111 1.00 0.00 H new ATOM 1485 N ILE A 96 -10.945 14.708 -24.017 1.00 0.00 N ATOM 1486 CA ILE A 96 -12.210 15.317 -23.638 1.00 0.00 C ATOM 1487 C ILE A 96 -12.675 16.372 -24.656 1.00 0.00 C ATOM 1488 O ILE A 96 -13.356 17.322 -24.262 1.00 0.00 O ATOM 1489 CB ILE A 96 -12.101 15.922 -22.230 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -10.977 16.968 -22.178 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -11.855 14.818 -21.197 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -10.912 17.663 -20.823 1.00 0.00 C ATOM 0 H ILE A 96 -10.258 15.385 -24.349 1.00 0.00 H new ATOM 0 HA ILE A 96 -12.967 14.533 -23.631 1.00 0.00 H new ATOM 0 HB ILE A 96 -13.042 16.419 -21.992 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.022 16.486 -22.385 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.135 17.711 -22.960 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.780 15.260 -20.203 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.683 14.110 -21.217 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.927 14.298 -21.434 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.104 18.395 -20.828 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.858 18.168 -20.627 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -10.727 16.924 -20.043 1.00 0.00 H new ATOM 1504 N PRO A 97 -12.340 16.257 -25.953 1.00 0.00 N ATOM 1505 CA PRO A 97 -12.729 17.243 -26.956 1.00 0.00 C ATOM 1506 C PRO A 97 -14.210 17.092 -27.306 1.00 0.00 C ATOM 1507 O PRO A 97 -14.924 16.279 -26.717 1.00 0.00 O ATOM 1508 CB PRO A 97 -11.855 16.947 -28.174 1.00 0.00 C ATOM 1509 CG PRO A 97 -11.704 15.432 -28.097 1.00 0.00 C ATOM 1510 CD PRO A 97 -11.588 15.188 -26.598 1.00 0.00 C ATOM 0 HA PRO A 97 -12.592 18.264 -26.599 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.330 17.263 -29.103 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -10.893 17.456 -28.119 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.563 14.916 -28.527 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.822 15.084 -28.634 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.992 14.212 -26.330 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.545 15.200 -26.281 1.00 0.00 H new ATOM 1518 N VAL A 98 -14.678 17.883 -28.278 1.00 0.00 N ATOM 1519 CA VAL A 98 -16.053 17.825 -28.754 1.00 0.00 C ATOM 1520 C VAL A 98 -16.041 17.727 -30.276 1.00 0.00 C ATOM 1521 O VAL A 98 -16.785 18.404 -30.986 1.00 0.00 O ATOM 1522 CB VAL A 98 -16.884 18.998 -28.225 1.00 0.00 C ATOM 1523 CG1 VAL A 98 -18.379 18.734 -28.416 1.00 0.00 C ATOM 1524 CG2 VAL A 98 -16.633 19.208 -26.728 1.00 0.00 C ATOM 0 H VAL A 98 -14.107 18.581 -28.754 1.00 0.00 H new ATOM 0 HA VAL A 98 -16.545 16.934 -28.363 1.00 0.00 H new ATOM 0 HB VAL A 98 -16.585 19.884 -28.785 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -18.950 19.580 -28.033 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.593 18.602 -29.477 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.661 17.831 -27.874 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -17.233 20.046 -26.373 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -16.910 18.306 -26.183 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -15.577 19.422 -26.563 1.00 0.00 H new ATOM 1534 N VAL A 99 -15.159 16.855 -30.752 1.00 0.00 N ATOM 1535 CA VAL A 99 -14.903 16.554 -32.146 1.00 0.00 C ATOM 1536 C VAL A 99 -16.005 15.701 -32.775 1.00 0.00 C ATOM 1537 O VAL A 99 -15.790 14.956 -33.725 1.00 0.00 O ATOM 1538 CB VAL A 99 -13.527 15.891 -32.189 1.00 0.00 C ATOM 1539 CG1 VAL A 99 -13.581 14.458 -31.658 1.00 0.00 C ATOM 1540 CG2 VAL A 99 -12.941 15.934 -33.585 1.00 0.00 C ATOM 0 H VAL A 99 -14.567 16.306 -30.128 1.00 0.00 H new ATOM 0 HA VAL A 99 -14.907 17.461 -32.750 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.868 16.461 -31.534 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.586 14.016 -31.703 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.929 14.466 -30.625 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.267 13.870 -32.267 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.962 15.455 -33.584 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -13.602 15.407 -34.273 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.837 16.971 -33.904 1.00 0.00 H new ATOM 1550 N GLU A 100 -17.203 15.828 -32.215 1.00 0.00 N ATOM 1551 CA GLU A 100 -18.385 15.074 -32.570 1.00 0.00 C ATOM 1552 C GLU A 100 -18.709 15.161 -34.062 1.00 0.00 C ATOM 1553 O GLU A 100 -18.531 16.200 -34.690 1.00 0.00 O ATOM 1554 CB GLU A 100 -19.547 15.624 -31.738 1.00 0.00 C ATOM 1555 CG GLU A 100 -20.818 14.847 -32.009 1.00 0.00 C ATOM 1556 CD GLU A 100 -21.914 15.185 -31.003 1.00 0.00 C ATOM 1557 OE1 GLU A 100 -22.620 16.196 -31.237 1.00 0.00 O ATOM 1558 OE2 GLU A 100 -22.047 14.437 -30.010 1.00 0.00 O ATOM 0 H GLU A 100 -17.378 16.495 -31.464 1.00 0.00 H new ATOM 0 HA GLU A 100 -18.212 14.019 -32.360 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.300 15.567 -30.678 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -19.702 16.677 -31.973 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -21.170 15.066 -33.017 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -20.606 13.778 -31.970 1.00 0.00 H new ATOM 1565 N VAL A 101 -19.189 14.040 -34.599 1.00 0.00 N ATOM 1566 CA VAL A 101 -19.693 13.921 -35.960 1.00 0.00 C ATOM 1567 C VAL A 101 -20.911 13.008 -35.922 1.00 0.00 C ATOM 1568 O VAL A 101 -20.865 11.946 -35.297 1.00 0.00 O ATOM 1569 CB VAL A 101 -18.621 13.330 -36.875 1.00 0.00 C ATOM 1570 CG1 VAL A 101 -19.110 13.302 -38.323 1.00 0.00 C ATOM 1571 CG2 VAL A 101 -17.334 14.147 -36.809 1.00 0.00 C ATOM 0 H VAL A 101 -19.238 13.164 -34.079 1.00 0.00 H new ATOM 0 HA VAL A 101 -19.962 14.902 -36.351 1.00 0.00 H new ATOM 0 HB VAL A 101 -18.421 12.315 -36.532 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -18.334 12.878 -38.961 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -20.010 12.691 -38.391 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -19.335 14.317 -38.651 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -16.588 13.705 -37.469 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -17.536 15.171 -37.124 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -16.957 14.150 -35.786 1.00 0.00 H new ATOM 1581 N ASP A 102 -21.997 13.415 -36.583 1.00 0.00 N ATOM 1582 CA ASP A 102 -23.247 12.667 -36.567 1.00 0.00 C ATOM 1583 C ASP A 102 -24.061 12.949 -37.831 1.00 0.00 C ATOM 1584 O ASP A 102 -25.283 12.801 -37.841 1.00 0.00 O ATOM 1585 CB ASP A 102 -24.006 13.027 -35.283 1.00 0.00 C ATOM 1586 CG ASP A 102 -25.247 12.163 -35.070 1.00 0.00 C ATOM 1587 OD1 ASP A 102 -25.116 10.918 -35.135 1.00 0.00 O ATOM 1588 OD2 ASP A 102 -26.326 12.757 -34.841 1.00 0.00 O ATOM 0 H ASP A 102 -22.031 14.269 -37.140 1.00 0.00 H new ATOM 0 HA ASP A 102 -23.053 11.594 -36.566 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -23.339 12.915 -34.428 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -24.301 14.076 -35.322 1.00 0.00 H new ATOM 1593 N GLU A 103 -23.358 13.355 -38.891 1.00 0.00 N ATOM 1594 CA GLU A 103 -23.901 13.735 -40.189 1.00 0.00 C ATOM 1595 C GLU A 103 -25.221 14.520 -40.124 1.00 0.00 C ATOM 1596 O GLU A 103 -25.512 15.207 -39.148 1.00 0.00 O ATOM 1597 CB GLU A 103 -23.962 12.524 -41.131 1.00 0.00 C ATOM 1598 CG GLU A 103 -25.018 11.465 -40.774 1.00 0.00 C ATOM 1599 CD GLU A 103 -24.538 10.436 -39.743 1.00 0.00 C ATOM 1600 OE1 GLU A 103 -23.301 10.307 -39.574 1.00 0.00 O ATOM 1601 OE2 GLU A 103 -25.410 9.782 -39.133 1.00 0.00 O ATOM 0 H GLU A 103 -22.341 13.430 -38.861 1.00 0.00 H new ATOM 0 HA GLU A 103 -23.200 14.453 -40.615 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -24.157 12.881 -42.142 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -22.983 12.046 -41.145 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -25.905 11.966 -40.387 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -25.317 10.943 -41.683 1.00 0.00 H new ATOM 1608 N LEU A 104 -26.002 14.401 -41.201 1.00 0.00 N ATOM 1609 CA LEU A 104 -27.283 15.062 -41.394 1.00 0.00 C ATOM 1610 C LEU A 104 -28.262 14.892 -40.214 1.00 0.00 C ATOM 1611 O LEU A 104 -28.078 14.024 -39.361 1.00 0.00 O ATOM 1612 CB LEU A 104 -27.893 14.537 -42.697 1.00 0.00 C ATOM 1613 CG LEU A 104 -27.367 15.208 -43.958 1.00 0.00 C ATOM 1614 CD1 LEU A 104 -27.578 14.301 -45.170 1.00 0.00 C ATOM 1615 CD2 LEU A 104 -28.162 16.506 -44.184 1.00 0.00 C ATOM 0 H LEU A 104 -25.742 13.814 -41.994 1.00 0.00 H new ATOM 0 HA LEU A 104 -27.103 16.136 -41.449 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -27.704 13.466 -42.765 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -28.974 14.668 -42.655 1.00 0.00 H new ATOM 0 HG LEU A 104 -26.303 15.411 -43.839 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -27.197 14.794 -46.064 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -27.046 13.362 -45.019 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -28.642 14.099 -45.293 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -27.800 17.003 -45.084 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -29.220 16.269 -44.301 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -28.031 17.167 -43.327 1.00 0.00 H new ATOM 1627 N PRO A 105 -29.306 15.741 -40.190 1.00 0.00 N ATOM 1628 CA PRO A 105 -30.375 15.868 -39.205 1.00 0.00 C ATOM 1629 C PRO A 105 -31.187 14.597 -38.935 1.00 0.00 C ATOM 1630 O PRO A 105 -30.746 13.471 -39.160 1.00 0.00 O ATOM 1631 CB PRO A 105 -31.311 16.937 -39.789 1.00 0.00 C ATOM 1632 CG PRO A 105 -30.396 17.797 -40.647 1.00 0.00 C ATOM 1633 CD PRO A 105 -29.502 16.725 -41.228 1.00 0.00 C ATOM 0 HA PRO A 105 -29.929 16.110 -38.240 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -32.109 16.489 -40.381 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -31.788 17.523 -39.003 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -30.940 18.348 -41.414 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -29.842 18.530 -40.061 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -29.961 16.273 -42.108 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -28.549 17.147 -41.547 1.00 0.00 H new ATOM 1641 N GLU A 106 -32.407 14.809 -38.439 1.00 0.00 N ATOM 1642 CA GLU A 106 -33.390 13.760 -38.202 1.00 0.00 C ATOM 1643 C GLU A 106 -34.641 14.064 -39.030 1.00 0.00 C ATOM 1644 O GLU A 106 -35.738 13.598 -38.718 1.00 0.00 O ATOM 1645 CB GLU A 106 -33.667 13.670 -36.695 1.00 0.00 C ATOM 1646 CG GLU A 106 -34.410 12.391 -36.316 1.00 0.00 C ATOM 1647 CD GLU A 106 -34.548 12.258 -34.801 1.00 0.00 C ATOM 1648 OE1 GLU A 106 -35.499 12.858 -34.251 1.00 0.00 O ATOM 1649 OE2 GLU A 106 -33.703 11.553 -34.204 1.00 0.00 O ATOM 0 H GLU A 106 -32.743 15.738 -38.186 1.00 0.00 H new ATOM 0 HA GLU A 106 -33.023 12.783 -38.518 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -32.723 13.713 -36.151 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -34.254 14.534 -36.384 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -35.399 12.393 -36.775 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -33.876 11.527 -36.712 1.00 0.00 H new ATOM 1656 N GLY A 107 -34.470 14.862 -40.099 1.00 0.00 N ATOM 1657 CA GLY A 107 -35.567 15.264 -40.965 1.00 0.00 C ATOM 1658 C GLY A 107 -35.196 15.172 -42.451 1.00 0.00 C ATOM 1659 O GLY A 107 -36.089 15.107 -43.298 1.00 0.00 O ATOM 0 H GLY A 107 -33.565 15.240 -40.377 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -36.433 14.632 -40.769 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -35.859 16.287 -40.728 1.00 0.00 H new ATOM 1663 N TYR A 108 -33.898 15.155 -42.780 1.00 0.00 N ATOM 1664 CA TYR A 108 -33.425 14.861 -44.117 1.00 0.00 C ATOM 1665 C TYR A 108 -33.839 13.443 -44.528 1.00 0.00 C ATOM 1666 O TYR A 108 -34.285 12.650 -43.699 1.00 0.00 O ATOM 1667 CB TYR A 108 -31.927 15.072 -44.115 1.00 0.00 C ATOM 1668 CG TYR A 108 -31.231 13.825 -43.713 1.00 0.00 C ATOM 1669 CD1 TYR A 108 -30.969 12.879 -44.698 1.00 0.00 C ATOM 1670 CD2 TYR A 108 -30.873 13.623 -42.385 1.00 0.00 C ATOM 1671 CE1 TYR A 108 -30.300 11.704 -44.350 1.00 0.00 C ATOM 1672 CE2 TYR A 108 -30.148 12.483 -42.045 1.00 0.00 C ATOM 1673 CZ TYR A 108 -29.875 11.499 -43.018 1.00 0.00 C ATOM 1674 OH TYR A 108 -29.197 10.368 -42.682 1.00 0.00 O ATOM 0 H TYR A 108 -33.150 15.348 -42.113 1.00 0.00 H new ATOM 0 HA TYR A 108 -33.871 15.521 -44.861 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -31.595 15.378 -45.107 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -31.668 15.878 -43.429 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -31.279 13.051 -45.718 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -31.153 14.340 -41.627 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -30.107 10.951 -45.100 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -29.794 12.352 -41.033 1.00 0.00 H new ATOM 0 HH TYR A 108 -28.979 10.389 -41.727 1.00 0.00 H new ATOM 1684 N ASP A 109 -33.693 13.120 -45.813 1.00 0.00 N ATOM 1685 CA ASP A 109 -34.018 11.805 -46.337 1.00 0.00 C ATOM 1686 C ASP A 109 -32.877 11.272 -47.209 1.00 0.00 C ATOM 1687 O ASP A 109 -32.018 12.031 -47.658 1.00 0.00 O ATOM 1688 CB ASP A 109 -35.323 11.871 -47.136 1.00 0.00 C ATOM 1689 CG ASP A 109 -36.495 12.315 -46.267 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -36.958 11.492 -45.452 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -36.925 13.480 -46.430 1.00 0.00 O ATOM 0 H ASP A 109 -33.344 13.770 -46.518 1.00 0.00 H new ATOM 0 HA ASP A 109 -34.151 11.118 -45.501 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -35.205 12.564 -47.969 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -35.538 10.892 -47.564 1.00 0.00 H new ATOM 1696 N ARG A 110 -32.873 9.959 -47.444 1.00 0.00 N ATOM 1697 CA ARG A 110 -31.783 9.273 -48.132 1.00 0.00 C ATOM 1698 C ARG A 110 -32.310 8.308 -49.202 1.00 0.00 C ATOM 1699 O ARG A 110 -31.530 7.580 -49.823 1.00 0.00 O ATOM 1700 CB ARG A 110 -30.967 8.528 -47.074 1.00 0.00 C ATOM 1701 CG ARG A 110 -29.590 8.102 -47.585 1.00 0.00 C ATOM 1702 CD ARG A 110 -28.814 7.425 -46.450 1.00 0.00 C ATOM 1703 NE ARG A 110 -27.471 7.035 -46.885 1.00 0.00 N ATOM 1704 CZ ARG A 110 -26.553 6.495 -46.077 1.00 0.00 C ATOM 1705 NH1 ARG A 110 -26.833 6.265 -44.795 1.00 0.00 N ATOM 1706 NH2 ARG A 110 -25.348 6.176 -46.546 1.00 0.00 N ATOM 0 H ARG A 110 -33.632 9.339 -47.160 1.00 0.00 H new ATOM 0 HA ARG A 110 -31.159 9.998 -48.654 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -30.844 9.167 -46.199 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -31.519 7.646 -46.750 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -29.698 7.417 -48.426 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -29.040 8.970 -47.949 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -28.741 8.104 -45.600 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -29.358 6.545 -46.108 1.00 0.00 H new ATOM 0 HE ARG A 110 -27.221 7.184 -47.863 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -27.753 6.501 -44.424 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.127 5.853 -44.185 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -25.122 6.343 -47.526 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.652 5.764 -45.925 1.00 0.00 H new ATOM 1720 N SER A 111 -33.627 8.291 -49.418 1.00 0.00 N ATOM 1721 CA SER A 111 -34.275 7.403 -50.381 1.00 0.00 C ATOM 1722 C SER A 111 -35.567 8.033 -50.886 1.00 0.00 C ATOM 1723 O SER A 111 -36.420 8.368 -50.037 1.00 0.00 O ATOM 1724 CB SER A 111 -34.548 6.062 -49.698 1.00 0.00 C ATOM 1725 OG SER A 111 -35.104 5.161 -50.629 1.00 0.00 O ATOM 1726 OXT SER A 111 -35.678 8.181 -52.123 1.00 0.00 O ATOM 0 H SER A 111 -34.279 8.900 -48.923 1.00 0.00 H new ATOM 0 HA SER A 111 -33.626 7.242 -51.242 1.00 0.00 H new ATOM 0 HB2 SER A 111 -33.622 5.655 -49.291 1.00 0.00 H new ATOM 0 HB3 SER A 111 -35.231 6.202 -48.860 1.00 0.00 H new ATOM 0 HG SER A 111 -35.277 4.302 -50.190 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 18.800 17.722 -15.484 1.00 0.00 N ATOM 1734 CA ALA B 701 18.339 19.122 -15.532 1.00 0.00 C ATOM 1735 C ALA B 701 18.301 19.729 -14.132 1.00 0.00 C ATOM 1736 O ALA B 701 19.263 20.371 -13.714 1.00 0.00 O ATOM 1737 CB ALA B 701 16.982 19.231 -16.230 1.00 0.00 C ATOM 0 HA ALA B 701 19.055 19.696 -16.121 1.00 0.00 H new ATOM 0 HB1 ALA B 701 16.666 20.274 -16.251 1.00 0.00 H new ATOM 0 HB2 ALA B 701 17.067 18.857 -17.250 1.00 0.00 H new ATOM 0 HB3 ALA B 701 16.245 18.640 -15.687 1.00 0.00 H new ATOM 1745 N ASP B 702 17.195 19.528 -13.402 1.00 0.00 N ATOM 1746 CA ASP B 702 17.026 20.088 -12.071 1.00 0.00 C ATOM 1747 C ASP B 702 16.098 19.218 -11.219 1.00 0.00 C ATOM 1748 O ASP B 702 15.505 19.687 -10.252 1.00 0.00 O ATOM 1749 CB ASP B 702 16.506 21.522 -12.202 1.00 0.00 C ATOM 1750 CG ASP B 702 16.532 22.269 -10.874 1.00 0.00 C ATOM 1751 OD1 ASP B 702 17.573 22.192 -10.184 1.00 0.00 O ATOM 1752 OD2 ASP B 702 15.511 22.916 -10.552 1.00 0.00 O ATOM 0 H ASP B 702 16.401 18.974 -13.723 1.00 0.00 H new ATOM 0 HA ASP B 702 17.987 20.107 -11.556 1.00 0.00 H new ATOM 0 HB2 ASP B 702 17.111 22.061 -12.931 1.00 0.00 H new ATOM 0 HB3 ASP B 702 15.486 21.503 -12.586 1.00 0.00 H new ATOM 1757 N THR B 703 15.971 17.940 -11.589 1.00 0.00 N ATOM 1758 CA THR B 703 15.067 17.022 -10.914 1.00 0.00 C ATOM 1759 C THR B 703 15.526 15.576 -11.061 1.00 0.00 C ATOM 1760 O THR B 703 16.083 15.187 -12.084 1.00 0.00 O ATOM 1761 CB THR B 703 13.652 17.234 -11.445 1.00 0.00 C ATOM 1762 OG1 THR B 703 12.761 16.383 -10.758 1.00 0.00 O ATOM 1763 CG2 THR B 703 13.603 16.987 -12.947 1.00 0.00 C ATOM 0 H THR B 703 16.491 17.521 -12.360 1.00 0.00 H new ATOM 0 HA THR B 703 15.072 17.232 -9.844 1.00 0.00 H new ATOM 0 HB THR B 703 13.351 18.267 -11.272 1.00 0.00 H new ATOM 0 HG1 THR B 703 11.847 16.724 -10.850 1.00 0.00 H new ATOM 0 HG21 THR B 703 12.587 17.143 -13.308 1.00 0.00 H new ATOM 0 HG22 THR B 703 14.277 17.679 -13.452 1.00 0.00 H new ATOM 0 HG23 THR B 703 13.910 15.962 -13.157 1.00 0.00 H new ATOM 1771 N GLU B 704 15.282 14.785 -10.015 1.00 0.00 N ATOM 1772 CA GLU B 704 15.693 13.391 -9.956 1.00 0.00 C ATOM 1773 C GLU B 704 14.804 12.498 -10.818 1.00 0.00 C ATOM 1774 O GLU B 704 15.173 11.356 -11.081 1.00 0.00 O ATOM 1775 CB GLU B 704 15.676 12.920 -8.502 1.00 0.00 C ATOM 1776 CG GLU B 704 14.285 13.070 -7.889 1.00 0.00 C ATOM 1777 CD GLU B 704 14.270 12.570 -6.445 1.00 0.00 C ATOM 1778 OE1 GLU B 704 14.495 11.355 -6.256 1.00 0.00 O ATOM 1779 OE2 GLU B 704 14.031 13.407 -5.547 1.00 0.00 O ATOM 0 H GLU B 704 14.789 15.102 -9.180 1.00 0.00 H new ATOM 0 HA GLU B 704 16.704 13.316 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU B 704 15.988 11.877 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU B 704 16.396 13.497 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU B 704 13.981 14.116 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU B 704 13.560 12.510 -8.480 1.00 0.00 H new ATOM 1786 N MET B 705 13.641 12.982 -11.262 1.00 0.00 N ATOM 1787 CA MET B 705 12.837 12.214 -12.201 1.00 0.00 C ATOM 1788 C MET B 705 13.549 12.107 -13.541 1.00 0.00 C ATOM 1789 O MET B 705 13.221 11.232 -14.338 1.00 0.00 O ATOM 1790 CB MET B 705 11.455 12.803 -12.370 1.00 0.00 C ATOM 1791 CG MET B 705 11.489 14.294 -12.708 1.00 0.00 C ATOM 1792 SD MET B 705 10.010 15.211 -12.214 1.00 0.00 S ATOM 1793 CE MET B 705 9.587 14.280 -10.719 1.00 0.00 C ATOM 0 H MET B 705 13.246 13.882 -10.991 1.00 0.00 H new ATOM 0 HA MET B 705 12.711 11.212 -11.790 1.00 0.00 H new ATOM 0 HB2 MET B 705 10.930 12.267 -13.160 1.00 0.00 H new ATOM 0 HB3 MET B 705 10.886 12.655 -11.452 1.00 0.00 H new ATOM 0 HG2 MET B 705 12.357 14.743 -12.225 1.00 0.00 H new ATOM 0 HG3 MET B 705 11.628 14.406 -13.783 1.00 0.00 H new ATOM 0 HE1 MET B 705 8.828 14.822 -10.155 1.00 0.00 H new ATOM 0 HE2 MET B 705 9.200 13.300 -10.998 1.00 0.00 H new ATOM 0 HE3 MET B 705 10.478 14.157 -10.103 1.00 0.00 H new ATOM 1803 N GLU B 706 14.521 12.991 -13.786 1.00 0.00 N ATOM 1804 CA GLU B 706 15.326 12.924 -14.996 1.00 0.00 C ATOM 1805 C GLU B 706 16.526 11.997 -14.761 1.00 0.00 C ATOM 1806 O GLU B 706 17.491 12.003 -15.522 1.00 0.00 O ATOM 1807 CB GLU B 706 15.725 14.339 -15.431 1.00 0.00 C ATOM 1808 CG GLU B 706 16.013 14.348 -16.932 1.00 0.00 C ATOM 1809 CD GLU B 706 16.400 15.744 -17.407 1.00 0.00 C ATOM 1810 OE1 GLU B 706 17.607 16.068 -17.321 1.00 0.00 O ATOM 1811 OE2 GLU B 706 15.488 16.478 -17.851 1.00 0.00 O ATOM 0 H GLU B 706 14.764 13.758 -13.160 1.00 0.00 H new ATOM 0 HA GLU B 706 14.753 12.496 -15.818 1.00 0.00 H new ATOM 0 HB2 GLU B 706 14.925 15.042 -15.199 1.00 0.00 H new ATOM 0 HB3 GLU B 706 16.606 14.666 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU B 706 16.818 13.648 -17.155 1.00 0.00 H new ATOM 0 HG3 GLU B 706 15.133 14.006 -17.477 1.00 0.00 H new ATOM 1818 N GLU B 707 16.456 11.198 -13.690 1.00 0.00 N ATOM 1819 CA GLU B 707 17.468 10.221 -13.321 1.00 0.00 C ATOM 1820 C GLU B 707 16.765 8.943 -12.852 1.00 0.00 C ATOM 1821 O GLU B 707 15.587 8.972 -12.489 1.00 0.00 O ATOM 1822 CB GLU B 707 18.378 10.820 -12.242 1.00 0.00 C ATOM 1823 CG GLU B 707 19.552 9.896 -11.920 1.00 0.00 C ATOM 1824 CD GLU B 707 20.560 10.602 -11.013 1.00 0.00 C ATOM 1825 OE1 GLU B 707 20.240 10.784 -9.816 1.00 0.00 O ATOM 1826 OE2 GLU B 707 21.644 10.954 -11.526 1.00 0.00 O ATOM 0 H GLU B 707 15.668 11.220 -13.042 1.00 0.00 H new ATOM 0 HA GLU B 707 18.099 9.964 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU B 707 18.756 11.785 -12.579 1.00 0.00 H new ATOM 0 HB3 GLU B 707 17.799 11.002 -11.337 1.00 0.00 H new ATOM 0 HG2 GLU B 707 19.187 8.992 -11.433 1.00 0.00 H new ATOM 0 HG3 GLU B 707 20.041 9.585 -12.843 1.00 0.00 H new ATOM 1833 N VAL B 708 17.473 7.813 -12.859 1.00 0.00 N ATOM 1834 CA VAL B 708 16.863 6.523 -12.563 1.00 0.00 C ATOM 1835 C VAL B 708 16.599 6.343 -11.062 1.00 0.00 C ATOM 1836 O VAL B 708 16.852 7.253 -10.272 1.00 0.00 O ATOM 1837 CB VAL B 708 17.699 5.373 -13.122 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.427 5.755 -14.402 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.768 4.879 -12.164 1.00 0.00 C ATOM 0 H VAL B 708 18.471 7.768 -13.067 1.00 0.00 H new ATOM 0 HA VAL B 708 15.894 6.505 -13.062 1.00 0.00 H new ATOM 0 HB VAL B 708 16.964 4.588 -13.302 1.00 0.00 H new ATOM 0 HG11 VAL B 708 19.007 4.904 -14.759 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.700 6.043 -15.162 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.096 6.592 -14.204 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.322 4.063 -12.627 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.452 5.695 -11.930 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.299 4.524 -11.246 1.00 0.00 H new ATOM 1849 N ASP B 709 16.091 5.162 -10.691 1.00 0.00 N ATOM 1850 CA ASP B 709 15.690 4.751 -9.347 1.00 0.00 C ATOM 1851 C ASP B 709 15.248 5.908 -8.451 1.00 0.00 C ATOM 1852 O ASP B 709 15.893 6.159 -7.409 1.00 0.00 O ATOM 1853 CB ASP B 709 16.719 3.822 -8.680 1.00 0.00 C ATOM 1854 CG ASP B 709 18.179 4.286 -8.702 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.441 5.490 -8.495 1.00 0.00 O ATOM 1856 OD2 ASP B 709 19.033 3.402 -8.931 1.00 0.00 O ATOM 1857 OXT ASP B 709 14.238 6.545 -8.825 1.00 0.00 O ATOM 0 H ASP B 709 15.940 4.418 -11.373 1.00 0.00 H new ATOM 0 HA ASP B 709 14.789 4.153 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.423 3.677 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.664 2.848 -9.166 1.00 0.00 H new TER 1862 ASP B 709