USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 82 CYS SG : rot -176:sc= -0.457 USER MOD Set 1.2: A 86 ASN : amide:sc= -0.358 K(o=-0.82,f=-2.8) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.264 K(o=1,f=-7.8!) USER MOD Set 2.2: A 107 TYR OH : rot 96:sc= 1.31 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 163:sc= 1.86 (180deg=1.6) USER MOD Set 3.2: A 65 TYR OH : rot 81:sc= 0.566 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Set 4.2: A 25 TYR OH : rot -25:sc= 0.0343 USER MOD Set 5.1: A 10 CYS SG : rot -17:sc= -3.97! USER MOD Set 5.2: A 60 MET CE :methyl -150:sc= -2.54 (180deg=-0.859) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.13 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 167:sc= -0.0584 (180deg=-0.266) USER MOD Single : A 4 SER OG : rot 46:sc= 0.103 USER MOD Single : A 6 GLN : amide:sc= -0.053 K(o=-0.053,f=-4.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 ASN : amide:sc= 1.38 K(o=1.4,f=-0.12) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 52:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -134:sc= 0.363 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0658 (180deg=-0.417) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-0.23) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0305) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.039 (180deg=-0.451) USER MOD Single : A 54 SER OG : rot 83:sc= 1.21 USER MOD Single : A 55 THR OG1 : rot 149:sc= 0.982 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.02) USER MOD Single : A 78 MET CE :methyl -130:sc= -0.535 (180deg=-3.32!) USER MOD Single : A 80 SER OG : rot 88:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -4.13! C(o=-4.1!,f=-3.2!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.59 USER MOD Single : A 84 LYS NZ :NH3+ -112:sc= 0.684 (180deg=-0.0053) USER MOD Single : A 85 TYR OH : rot 3:sc= -0.206 USER MOD Single : A 90 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.9!) USER MOD Single : A 95 MET CE :methyl -108:sc= -1.24 (180deg=-3.62!) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0512 (180deg=-0.284) USER MOD Single : A 100 GLN : amide:sc= -0.913 K(o=-0.91,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -126:sc= -0.197 (180deg=-1.03) USER MOD Single : A 110 MET CE :methyl 154:sc= -0.588 (180deg=-2.19!) USER MOD Single : B 281 HIS : no HD1:sc= -0.881 K(o=-0.88,f=0.25) USER MOD Single : B 282 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 288 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.7!) USER MOD Single : B 291 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.39) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.060 12.308 -2.074 1.00 0.00 N ATOM 2 CA GLY A 1 20.052 11.601 -3.378 1.00 0.00 C ATOM 3 C GLY A 1 20.732 10.254 -3.289 1.00 0.00 C ATOM 4 O GLY A 1 21.233 9.887 -2.224 1.00 0.00 O ATOM 0 H1 GLY A 1 19.082 12.459 -1.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.569 11.734 -1.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.535 13.227 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.023 11.468 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.554 12.213 -4.127 1.00 0.00 H new ATOM 10 N LYS A 2 20.755 9.523 -4.406 1.00 0.00 N ATOM 11 CA LYS A 2 21.343 8.180 -4.465 1.00 0.00 C ATOM 12 C LYS A 2 20.546 7.183 -3.631 1.00 0.00 C ATOM 13 O LYS A 2 19.825 7.552 -2.704 1.00 0.00 O ATOM 14 CB LYS A 2 22.804 8.192 -4.009 1.00 0.00 C ATOM 15 CG LYS A 2 23.744 8.892 -4.976 1.00 0.00 C ATOM 16 CD LYS A 2 23.915 8.094 -6.260 1.00 0.00 C ATOM 17 CE LYS A 2 24.824 8.810 -7.244 1.00 0.00 C ATOM 18 NZ LYS A 2 26.162 9.095 -6.664 1.00 0.00 N ATOM 0 H LYS A 2 20.368 9.843 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 2 21.306 7.863 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.867 8.682 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.140 7.164 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.355 9.883 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.715 9.035 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.330 7.113 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.940 7.927 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.940 8.200 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.357 9.745 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.816 9.379 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 26.082 9.865 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.526 8.241 -6.195 1.00 0.00 H new ATOM 32 N LEU A 3 20.659 5.918 -3.986 1.00 0.00 N ATOM 33 CA LEU A 3 20.025 4.862 -3.222 1.00 0.00 C ATOM 34 C LEU A 3 21.066 4.132 -2.389 1.00 0.00 C ATOM 35 O LEU A 3 21.828 3.317 -2.911 1.00 0.00 O ATOM 36 CB LEU A 3 19.316 3.861 -4.139 1.00 0.00 C ATOM 37 CG LEU A 3 18.170 4.414 -4.985 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.662 3.337 -5.931 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.037 4.915 -4.100 1.00 0.00 C ATOM 0 H LEU A 3 21.184 5.597 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 3 19.281 5.319 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.057 3.426 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.927 3.049 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 3 18.543 5.256 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.845 3.736 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.472 3.017 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.305 2.485 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.233 5.304 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.659 4.093 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.407 5.707 -3.449 1.00 0.00 H new ATOM 51 N SER A 4 21.108 4.429 -1.103 1.00 0.00 N ATOM 52 CA SER A 4 22.046 3.769 -0.209 1.00 0.00 C ATOM 53 C SER A 4 21.499 2.386 0.154 1.00 0.00 C ATOM 54 O SER A 4 20.494 1.957 -0.411 1.00 0.00 O ATOM 55 CB SER A 4 22.307 4.625 1.046 1.00 0.00 C ATOM 56 OG SER A 4 23.250 4.013 1.912 1.00 0.00 O ATOM 0 H SER A 4 20.507 5.120 -0.654 1.00 0.00 H new ATOM 0 HA SER A 4 23.005 3.647 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.672 5.608 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.370 4.782 1.581 1.00 0.00 H new ATOM 0 HG SER A 4 24.013 3.690 1.389 1.00 0.00 H new ATOM 62 N GLU A 5 22.152 1.700 1.084 1.00 0.00 N ATOM 63 CA GLU A 5 21.772 0.338 1.462 1.00 0.00 C ATOM 64 C GLU A 5 20.280 0.253 1.780 1.00 0.00 C ATOM 65 O GLU A 5 19.573 -0.623 1.273 1.00 0.00 O ATOM 66 CB GLU A 5 22.591 -0.105 2.675 1.00 0.00 C ATOM 67 CG GLU A 5 22.496 -1.592 2.975 1.00 0.00 C ATOM 68 CD GLU A 5 23.113 -2.443 1.885 1.00 0.00 C ATOM 69 OE1 GLU A 5 24.343 -2.355 1.680 1.00 0.00 O ATOM 70 OE2 GLU A 5 22.378 -3.220 1.240 1.00 0.00 O ATOM 0 H GLU A 5 22.955 2.066 1.596 1.00 0.00 H new ATOM 0 HA GLU A 5 21.977 -0.324 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.636 0.156 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.258 0.454 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 5 22.995 -1.801 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.449 -1.868 3.099 1.00 0.00 H new ATOM 77 N GLN A 6 19.810 1.186 2.597 1.00 0.00 N ATOM 78 CA GLN A 6 18.415 1.232 3.013 1.00 0.00 C ATOM 79 C GLN A 6 17.493 1.469 1.817 1.00 0.00 C ATOM 80 O GLN A 6 16.544 0.719 1.604 1.00 0.00 O ATOM 81 CB GLN A 6 18.190 2.339 4.058 1.00 0.00 C ATOM 82 CG GLN A 6 18.800 2.075 5.434 1.00 0.00 C ATOM 83 CD GLN A 6 20.283 1.732 5.400 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.051 2.331 4.642 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.685 0.710 6.150 1.00 0.00 N ATOM 0 H GLN A 6 20.385 1.932 2.990 1.00 0.00 H new ATOM 0 HA GLN A 6 18.176 0.266 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.601 3.271 3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.117 2.490 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.656 2.956 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.259 1.256 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.023 0.238 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.655 0.398 6.110 1.00 0.00 H new ATOM 94 N LEU A 7 17.784 2.499 1.025 1.00 0.00 N ATOM 95 CA LEU A 7 16.911 2.867 -0.088 1.00 0.00 C ATOM 96 C LEU A 7 17.013 1.871 -1.246 1.00 0.00 C ATOM 97 O LEU A 7 16.090 1.735 -2.045 1.00 0.00 O ATOM 98 CB LEU A 7 17.200 4.292 -0.573 1.00 0.00 C ATOM 99 CG LEU A 7 16.861 5.389 0.430 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.305 6.743 -0.096 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.372 5.402 0.732 1.00 0.00 C ATOM 0 H LEU A 7 18.609 3.089 1.131 1.00 0.00 H new ATOM 0 HA LEU A 7 15.888 2.834 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.257 4.367 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.637 4.470 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 7 17.396 5.181 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.056 7.515 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.382 6.734 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.796 6.953 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.153 6.193 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.816 5.583 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.077 4.440 1.151 1.00 0.00 H new ATOM 113 N LYS A 8 18.127 1.166 -1.338 1.00 0.00 N ATOM 114 CA LYS A 8 18.246 0.093 -2.311 1.00 0.00 C ATOM 115 C LYS A 8 17.427 -1.099 -1.848 1.00 0.00 C ATOM 116 O LYS A 8 16.800 -1.793 -2.652 1.00 0.00 O ATOM 117 CB LYS A 8 19.712 -0.304 -2.510 1.00 0.00 C ATOM 118 CG LYS A 8 19.917 -1.483 -3.452 1.00 0.00 C ATOM 119 CD LYS A 8 19.410 -1.197 -4.860 1.00 0.00 C ATOM 120 CE LYS A 8 20.127 -0.012 -5.487 1.00 0.00 C ATOM 121 NZ LYS A 8 19.826 0.117 -6.940 1.00 0.00 N ATOM 0 H LYS A 8 18.953 1.314 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 8 17.864 0.441 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.260 0.555 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.145 -0.549 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.978 -1.731 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.401 -2.357 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.552 -2.079 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.339 -0.998 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.833 0.903 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.202 -0.124 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.334 0.937 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.130 -0.745 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.803 0.250 -7.072 1.00 0.00 H new ATOM 135 N HIS A 9 17.414 -1.313 -0.542 1.00 0.00 N ATOM 136 CA HIS A 9 16.639 -2.389 0.036 1.00 0.00 C ATOM 137 C HIS A 9 15.154 -2.071 -0.077 1.00 0.00 C ATOM 138 O HIS A 9 14.342 -2.955 -0.345 1.00 0.00 O ATOM 139 CB HIS A 9 17.024 -2.615 1.499 1.00 0.00 C ATOM 140 CG HIS A 9 17.060 -4.060 1.876 1.00 0.00 C ATOM 141 ND1 HIS A 9 18.224 -4.720 2.194 1.00 0.00 N ATOM 142 CD2 HIS A 9 16.072 -4.975 1.972 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.954 -5.979 2.465 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.655 -6.161 2.341 1.00 0.00 N ATOM 0 H HIS A 9 17.933 -0.753 0.135 1.00 0.00 H new ATOM 0 HA HIS A 9 16.853 -3.306 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.003 -2.172 1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.313 -2.095 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.021 -4.805 1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.674 -6.734 2.742 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.163 -7.041 2.494 1.00 0.00 H new ATOM 153 N CYS A 10 14.806 -0.798 0.110 1.00 0.00 N ATOM 154 CA CYS A 10 13.418 -0.376 0.001 1.00 0.00 C ATOM 155 C CYS A 10 12.948 -0.483 -1.444 1.00 0.00 C ATOM 156 O CYS A 10 11.778 -0.765 -1.708 1.00 0.00 O ATOM 157 CB CYS A 10 13.221 1.054 0.533 1.00 0.00 C ATOM 158 SG CYS A 10 13.790 2.380 -0.549 1.00 0.00 S ATOM 0 H CYS A 10 15.462 -0.050 0.335 1.00 0.00 H new ATOM 0 HA CYS A 10 12.813 -1.041 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.160 1.204 0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.741 1.141 1.487 1.00 0.00 H new ATOM 0 HG CYS A 10 14.603 1.895 -1.439 1.00 0.00 H new ATOM 164 N ASN A 11 13.875 -0.286 -2.380 1.00 0.00 N ATOM 165 CA ASN A 11 13.560 -0.387 -3.798 1.00 0.00 C ATOM 166 C ASN A 11 13.247 -1.833 -4.161 1.00 0.00 C ATOM 167 O ASN A 11 12.347 -2.109 -4.956 1.00 0.00 O ATOM 168 CB ASN A 11 14.732 0.119 -4.644 1.00 0.00 C ATOM 169 CG ASN A 11 14.368 0.275 -6.109 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.480 -0.666 -6.897 1.00 0.00 O ATOM 171 ND2 ASN A 11 13.931 1.465 -6.486 1.00 0.00 N ATOM 0 H ASN A 11 14.848 -0.056 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 11 12.686 0.231 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.070 1.079 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.568 -0.575 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.673 1.629 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.852 2.219 -5.804 1.00 0.00 H new ATOM 178 N GLY A 12 13.986 -2.751 -3.547 1.00 0.00 N ATOM 179 CA GLY A 12 13.814 -4.166 -3.822 1.00 0.00 C ATOM 180 C GLY A 12 12.546 -4.723 -3.206 1.00 0.00 C ATOM 181 O GLY A 12 11.843 -5.523 -3.827 1.00 0.00 O ATOM 0 H GLY A 12 14.707 -2.538 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.791 -4.324 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.673 -4.715 -3.438 1.00 0.00 H new ATOM 185 N ILE A 13 12.256 -4.301 -1.981 1.00 0.00 N ATOM 186 CA ILE A 13 11.044 -4.726 -1.288 1.00 0.00 C ATOM 187 C ILE A 13 9.806 -4.267 -2.057 1.00 0.00 C ATOM 188 O ILE A 13 8.896 -5.055 -2.322 1.00 0.00 O ATOM 189 CB ILE A 13 10.995 -4.161 0.149 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.176 -4.687 0.975 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.681 -4.527 0.830 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.272 -4.083 2.355 1.00 0.00 C ATOM 0 H ILE A 13 12.845 -3.663 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 13 11.057 -5.815 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 13 11.064 -3.075 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.089 -5.770 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.102 -4.487 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.669 -4.119 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.849 -4.113 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.585 -5.612 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.131 -4.504 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.392 -3.003 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.363 -4.305 2.914 1.00 0.00 H new ATOM 204 N LEU A 14 9.794 -2.985 -2.420 1.00 0.00 N ATOM 205 CA LEU A 14 8.712 -2.406 -3.200 1.00 0.00 C ATOM 206 C LEU A 14 8.521 -3.170 -4.504 1.00 0.00 C ATOM 207 O LEU A 14 7.401 -3.493 -4.894 1.00 0.00 O ATOM 208 CB LEU A 14 9.035 -0.946 -3.507 1.00 0.00 C ATOM 209 CG LEU A 14 7.843 -0.008 -3.516 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.335 1.421 -3.493 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.966 -0.239 -4.735 1.00 0.00 C ATOM 0 H LEU A 14 10.533 -2.324 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 14 7.790 -2.469 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.754 -0.587 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.524 -0.896 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 14 7.238 -0.206 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.482 2.100 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.925 1.588 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.953 1.607 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.121 0.449 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.548 -0.067 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.599 -1.265 -4.730 1.00 0.00 H new ATOM 223 N LYS A 15 9.636 -3.466 -5.158 1.00 0.00 N ATOM 224 CA LYS A 15 9.644 -4.167 -6.418 1.00 0.00 C ATOM 225 C LYS A 15 8.947 -5.518 -6.303 1.00 0.00 C ATOM 226 O LYS A 15 8.234 -5.944 -7.211 1.00 0.00 O ATOM 227 CB LYS A 15 11.095 -4.346 -6.855 1.00 0.00 C ATOM 228 CG LYS A 15 11.319 -5.577 -7.691 1.00 0.00 C ATOM 229 CD LYS A 15 10.872 -5.383 -9.125 1.00 0.00 C ATOM 230 CE LYS A 15 11.374 -6.515 -9.993 1.00 0.00 C ATOM 231 NZ LYS A 15 10.701 -6.538 -11.318 1.00 0.00 N ATOM 0 H LYS A 15 10.566 -3.220 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 15 9.097 -3.587 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.407 -3.469 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.730 -4.396 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.377 -5.838 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.777 -6.415 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.784 -5.337 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.247 -4.432 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.450 -6.414 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.207 -7.464 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.073 -7.328 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.677 -6.659 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.882 -5.642 -11.815 1.00 0.00 H new ATOM 245 N GLU A 16 9.150 -6.177 -5.181 1.00 0.00 N ATOM 246 CA GLU A 16 8.597 -7.513 -4.985 1.00 0.00 C ATOM 247 C GLU A 16 7.086 -7.443 -4.793 1.00 0.00 C ATOM 248 O GLU A 16 6.345 -8.251 -5.351 1.00 0.00 O ATOM 249 CB GLU A 16 9.250 -8.241 -3.794 1.00 0.00 C ATOM 250 CG GLU A 16 8.698 -9.650 -3.550 1.00 0.00 C ATOM 251 CD GLU A 16 9.073 -10.223 -2.206 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.266 -10.203 -1.860 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.181 -10.756 -1.519 1.00 0.00 O ATOM 0 H GLU A 16 9.689 -5.818 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 16 8.818 -8.088 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.324 -8.307 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.107 -7.644 -2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.612 -9.625 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.063 -10.314 -4.333 1.00 0.00 H new ATOM 260 N LEU A 17 6.636 -6.469 -4.016 1.00 0.00 N ATOM 261 CA LEU A 17 5.202 -6.244 -3.820 1.00 0.00 C ATOM 262 C LEU A 17 4.548 -5.864 -5.150 1.00 0.00 C ATOM 263 O LEU A 17 3.348 -6.036 -5.340 1.00 0.00 O ATOM 264 CB LEU A 17 4.975 -5.139 -2.779 1.00 0.00 C ATOM 265 CG LEU A 17 5.573 -5.396 -1.390 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.666 -4.090 -0.620 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.728 -6.395 -0.606 1.00 0.00 C ATOM 0 H LEU A 17 7.238 -5.820 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 17 4.746 -7.164 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.392 -4.210 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.902 -4.985 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 17 6.570 -5.817 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.091 -4.278 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.303 -3.392 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.670 -3.661 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.175 -6.559 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.719 -6.001 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.686 -7.340 -1.148 1.00 0.00 H new ATOM 279 N LEU A 18 5.364 -5.361 -6.070 1.00 0.00 N ATOM 280 CA LEU A 18 4.897 -4.974 -7.396 1.00 0.00 C ATOM 281 C LEU A 18 5.038 -6.114 -8.403 1.00 0.00 C ATOM 282 O LEU A 18 4.475 -6.061 -9.501 1.00 0.00 O ATOM 283 CB LEU A 18 5.689 -3.774 -7.889 1.00 0.00 C ATOM 284 CG LEU A 18 5.410 -2.473 -7.152 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.304 -1.382 -7.694 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.951 -2.076 -7.274 1.00 0.00 C ATOM 0 H LEU A 18 6.362 -5.211 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 18 3.840 -4.722 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.752 -4.000 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.476 -3.627 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 18 5.624 -2.620 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.103 -0.450 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.348 -1.662 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.107 -1.245 -8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.782 -1.142 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.697 -1.941 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.324 -2.859 -6.847 1.00 0.00 H new ATOM 298 N SER A 19 5.808 -7.124 -8.040 1.00 0.00 N ATOM 299 CA SER A 19 6.040 -8.265 -8.915 1.00 0.00 C ATOM 300 C SER A 19 4.765 -9.086 -9.092 1.00 0.00 C ATOM 301 O SER A 19 3.938 -9.188 -8.183 1.00 0.00 O ATOM 302 CB SER A 19 7.159 -9.138 -8.353 1.00 0.00 C ATOM 303 OG SER A 19 8.395 -8.438 -8.355 1.00 0.00 O ATOM 0 H SER A 19 6.287 -7.179 -7.141 1.00 0.00 H new ATOM 0 HA SER A 19 6.340 -7.891 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.911 -9.445 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.250 -10.047 -8.947 1.00 0.00 H new ATOM 0 HG SER A 19 8.282 -7.573 -7.909 1.00 0.00 H new ATOM 309 N LYS A 20 4.638 -9.686 -10.275 1.00 0.00 N ATOM 310 CA LYS A 20 3.420 -10.380 -10.681 1.00 0.00 C ATOM 311 C LYS A 20 3.100 -11.561 -9.772 1.00 0.00 C ATOM 312 O LYS A 20 1.975 -12.058 -9.766 1.00 0.00 O ATOM 313 CB LYS A 20 3.537 -10.834 -12.130 1.00 0.00 C ATOM 314 CG LYS A 20 3.598 -9.667 -13.095 1.00 0.00 C ATOM 315 CD LYS A 20 2.245 -8.985 -13.249 1.00 0.00 C ATOM 316 CE LYS A 20 2.323 -7.804 -14.204 1.00 0.00 C ATOM 317 NZ LYS A 20 0.999 -7.160 -14.405 1.00 0.00 N ATOM 0 H LYS A 20 5.377 -9.704 -10.978 1.00 0.00 H new ATOM 0 HA LYS A 20 2.593 -9.676 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.432 -11.445 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.685 -11.466 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.332 -8.942 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.940 -10.019 -14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.513 -9.704 -13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.895 -8.644 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.028 -7.069 -13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.712 -8.140 -15.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.098 -6.360 -15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.332 -7.853 -14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.639 -6.815 -13.492 1.00 0.00 H new ATOM 331 N LYS A 21 4.090 -12.003 -9.007 1.00 0.00 N ATOM 332 CA LYS A 21 3.879 -13.031 -8.000 1.00 0.00 C ATOM 333 C LYS A 21 2.848 -12.572 -6.975 1.00 0.00 C ATOM 334 O LYS A 21 2.002 -13.348 -6.534 1.00 0.00 O ATOM 335 CB LYS A 21 5.194 -13.365 -7.290 1.00 0.00 C ATOM 336 CG LYS A 21 5.015 -14.247 -6.062 1.00 0.00 C ATOM 337 CD LYS A 21 6.324 -14.502 -5.350 1.00 0.00 C ATOM 338 CE LYS A 21 6.164 -15.635 -4.356 1.00 0.00 C ATOM 339 NZ LYS A 21 7.304 -15.726 -3.404 1.00 0.00 N ATOM 0 H LYS A 21 5.050 -11.663 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 21 3.508 -13.925 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.860 -13.865 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.683 -12.437 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.315 -13.773 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.574 -15.198 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.099 -14.751 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.648 -13.598 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.239 -15.495 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.071 -16.577 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.145 -16.516 -2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.185 -15.887 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.379 -14.839 -2.867 1.00 0.00 H new ATOM 353 N HIS A 22 2.902 -11.298 -6.618 1.00 0.00 N ATOM 354 CA HIS A 22 2.036 -10.777 -5.575 1.00 0.00 C ATOM 355 C HIS A 22 0.895 -9.983 -6.182 1.00 0.00 C ATOM 356 O HIS A 22 -0.108 -9.748 -5.522 1.00 0.00 O ATOM 357 CB HIS A 22 2.823 -9.903 -4.584 1.00 0.00 C ATOM 358 CG HIS A 22 3.954 -10.636 -3.920 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.821 -11.322 -2.728 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.242 -10.796 -4.300 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.980 -11.870 -2.403 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.863 -11.567 -3.341 1.00 0.00 N ATOM 0 H HIS A 22 3.532 -10.611 -7.032 1.00 0.00 H new ATOM 0 HA HIS A 22 1.625 -11.625 -5.027 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.220 -9.035 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.142 -9.528 -3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.700 -10.393 -5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.173 -12.464 -1.522 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.841 -11.856 -3.352 1.00 0.00 H new ATOM 371 N ALA A 23 1.054 -9.608 -7.451 1.00 0.00 N ATOM 372 CA ALA A 23 0.080 -8.783 -8.170 1.00 0.00 C ATOM 373 C ALA A 23 -1.347 -9.293 -8.014 1.00 0.00 C ATOM 374 O ALA A 23 -2.291 -8.504 -7.953 1.00 0.00 O ATOM 375 CB ALA A 23 0.451 -8.726 -9.640 1.00 0.00 C ATOM 0 H ALA A 23 1.865 -9.868 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 23 0.112 -7.785 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.274 -8.112 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.445 -8.291 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.449 -9.734 -10.055 1.00 0.00 H new ATOM 381 N ALA A 24 -1.487 -10.611 -7.930 1.00 0.00 N ATOM 382 CA ALA A 24 -2.785 -11.258 -7.775 1.00 0.00 C ATOM 383 C ALA A 24 -3.526 -10.766 -6.526 1.00 0.00 C ATOM 384 O ALA A 24 -4.750 -10.881 -6.433 1.00 0.00 O ATOM 385 CB ALA A 24 -2.589 -12.763 -7.716 1.00 0.00 C ATOM 0 H ALA A 24 -0.703 -11.262 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.402 -10.997 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.556 -13.252 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.118 -13.105 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.952 -13.014 -6.868 1.00 0.00 H new ATOM 391 N TYR A 25 -2.783 -10.225 -5.570 1.00 0.00 N ATOM 392 CA TYR A 25 -3.370 -9.679 -4.354 1.00 0.00 C ATOM 393 C TYR A 25 -2.643 -8.402 -3.924 1.00 0.00 C ATOM 394 O TYR A 25 -2.740 -7.975 -2.775 1.00 0.00 O ATOM 395 CB TYR A 25 -3.362 -10.734 -3.232 1.00 0.00 C ATOM 396 CG TYR A 25 -2.078 -11.530 -3.120 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.936 -10.987 -2.547 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.019 -12.840 -3.580 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.227 -11.728 -2.444 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.861 -13.583 -3.480 1.00 0.00 C ATOM 401 CZ TYR A 25 0.260 -13.021 -2.912 1.00 0.00 C ATOM 402 OH TYR A 25 1.419 -13.756 -2.812 1.00 0.00 O ATOM 0 H TYR A 25 -1.767 -10.152 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.407 -9.414 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.548 -10.235 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.189 -11.425 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.956 -9.973 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.897 -13.285 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.108 -11.292 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.834 -14.599 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 25 2.189 -13.150 -2.781 1.00 0.00 H new ATOM 412 N ALA A 26 -1.923 -7.796 -4.867 1.00 0.00 N ATOM 413 CA ALA A 26 -1.190 -6.559 -4.603 1.00 0.00 C ATOM 414 C ALA A 26 -1.726 -5.403 -5.449 1.00 0.00 C ATOM 415 O ALA A 26 -1.436 -4.231 -5.178 1.00 0.00 O ATOM 416 CB ALA A 26 0.301 -6.749 -4.872 1.00 0.00 C ATOM 0 H ALA A 26 -1.832 -8.142 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.334 -6.311 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.829 -5.817 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.690 -7.535 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.450 -7.031 -5.914 1.00 0.00 H new ATOM 422 N TRP A 27 -2.526 -5.725 -6.467 1.00 0.00 N ATOM 423 CA TRP A 27 -3.040 -4.706 -7.383 1.00 0.00 C ATOM 424 C TRP A 27 -3.800 -3.556 -6.680 1.00 0.00 C ATOM 425 O TRP A 27 -3.726 -2.424 -7.158 1.00 0.00 O ATOM 426 CB TRP A 27 -3.907 -5.321 -8.500 1.00 0.00 C ATOM 427 CG TRP A 27 -5.100 -6.107 -8.030 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.147 -7.450 -7.798 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.420 -5.608 -7.756 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.404 -7.817 -7.391 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.204 -6.707 -7.357 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.016 -4.341 -7.802 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.547 -6.581 -7.013 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.349 -4.218 -7.459 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.101 -5.332 -7.068 1.00 0.00 C ATOM 0 H TRP A 27 -2.830 -6.676 -6.677 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.152 -4.261 -7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.255 -4.518 -9.150 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.279 -5.973 -9.107 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.314 -8.127 -7.918 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.696 -8.765 -7.152 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.443 -3.475 -8.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.131 -7.439 -6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.818 -3.246 -7.493 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.140 -5.202 -6.804 1.00 0.00 H new ATOM 446 N PRO A 28 -4.545 -3.790 -5.558 1.00 0.00 N ATOM 447 CA PRO A 28 -5.224 -2.701 -4.839 1.00 0.00 C ATOM 448 C PRO A 28 -4.287 -1.555 -4.459 1.00 0.00 C ATOM 449 O PRO A 28 -4.726 -0.422 -4.266 1.00 0.00 O ATOM 450 CB PRO A 28 -5.759 -3.346 -3.549 1.00 0.00 C ATOM 451 CG PRO A 28 -5.290 -4.765 -3.547 1.00 0.00 C ATOM 452 CD PRO A 28 -4.836 -5.100 -4.942 1.00 0.00 C ATOM 0 HA PRO A 28 -5.996 -2.266 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.390 -2.816 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.847 -3.299 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.473 -4.897 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.093 -5.433 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.953 -5.738 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.609 -5.636 -5.494 1.00 0.00 H new ATOM 460 N PHE A 29 -2.998 -1.854 -4.358 1.00 0.00 N ATOM 461 CA PHE A 29 -2.037 -0.886 -3.835 1.00 0.00 C ATOM 462 C PHE A 29 -1.092 -0.384 -4.914 1.00 0.00 C ATOM 463 O PHE A 29 -0.302 0.530 -4.670 1.00 0.00 O ATOM 464 CB PHE A 29 -1.220 -1.505 -2.702 1.00 0.00 C ATOM 465 CG PHE A 29 -1.969 -2.548 -1.930 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.613 -3.883 -2.028 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.038 -2.201 -1.123 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.308 -4.847 -1.339 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.736 -3.166 -0.429 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.369 -4.490 -0.540 1.00 0.00 C ATOM 0 H PHE A 29 -2.594 -2.751 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.610 -0.038 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.316 -1.950 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.903 -0.716 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.780 -4.169 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.328 -1.164 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.021 -5.885 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.568 -2.886 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.915 -5.248 0.001 1.00 0.00 H new ATOM 480 N TYR A 30 -1.138 -1.004 -6.090 1.00 0.00 N ATOM 481 CA TYR A 30 -0.330 -0.547 -7.218 1.00 0.00 C ATOM 482 C TYR A 30 -0.595 0.924 -7.515 1.00 0.00 C ATOM 483 O TYR A 30 0.320 1.744 -7.488 1.00 0.00 O ATOM 484 CB TYR A 30 -0.609 -1.381 -8.475 1.00 0.00 C ATOM 485 CG TYR A 30 0.087 -2.723 -8.489 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.473 -3.328 -7.307 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.365 -3.380 -9.680 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.115 -4.544 -7.304 1.00 0.00 C ATOM 489 CE2 TYR A 30 1.006 -4.603 -9.687 1.00 0.00 C ATOM 490 CZ TYR A 30 1.378 -5.178 -8.491 1.00 0.00 C ATOM 491 OH TYR A 30 2.019 -6.391 -8.484 1.00 0.00 O ATOM 0 H TYR A 30 -1.721 -1.818 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 30 0.716 -0.672 -6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.684 -1.540 -8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.298 -0.813 -9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.266 -2.836 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.075 -2.927 -10.617 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.411 -4.998 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.214 -5.104 -10.621 1.00 0.00 H new ATOM 0 HH TYR A 30 2.733 -6.387 -9.155 1.00 0.00 H new ATOM 501 N LYS A 31 -1.850 1.253 -7.778 1.00 0.00 N ATOM 502 CA LYS A 31 -2.223 2.591 -8.190 1.00 0.00 C ATOM 503 C LYS A 31 -3.353 3.111 -7.302 1.00 0.00 C ATOM 504 O LYS A 31 -4.101 2.311 -6.735 1.00 0.00 O ATOM 505 CB LYS A 31 -2.685 2.552 -9.646 1.00 0.00 C ATOM 506 CG LYS A 31 -1.735 1.814 -10.591 1.00 0.00 C ATOM 507 CD LYS A 31 -2.080 2.065 -12.041 1.00 0.00 C ATOM 508 CE LYS A 31 -3.423 1.470 -12.408 1.00 0.00 C ATOM 509 NZ LYS A 31 -3.462 0.002 -12.179 1.00 0.00 N ATOM 0 H LYS A 31 -2.632 0.602 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.365 3.257 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.665 2.076 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.810 3.575 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.711 2.134 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.778 0.744 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.093 3.138 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.306 1.638 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.205 1.950 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.638 1.679 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.285 -0.404 -12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.591 -0.430 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.538 -0.188 -11.159 1.00 0.00 H new ATOM 523 N PRO A 32 -3.496 4.447 -7.164 1.00 0.00 N ATOM 524 CA PRO A 32 -4.567 5.066 -6.366 1.00 0.00 C ATOM 525 C PRO A 32 -5.946 4.573 -6.771 1.00 0.00 C ATOM 526 O PRO A 32 -6.219 4.363 -7.958 1.00 0.00 O ATOM 527 CB PRO A 32 -4.436 6.568 -6.682 1.00 0.00 C ATOM 528 CG PRO A 32 -3.572 6.628 -7.893 1.00 0.00 C ATOM 529 CD PRO A 32 -2.629 5.476 -7.755 1.00 0.00 C ATOM 0 HA PRO A 32 -4.468 4.826 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.410 7.019 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.988 7.110 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.164 6.546 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.034 7.574 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.221 5.164 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.782 5.716 -7.112 1.00 0.00 H new ATOM 537 N VAL A 33 -6.813 4.381 -5.784 1.00 0.00 N ATOM 538 CA VAL A 33 -8.170 3.938 -6.055 1.00 0.00 C ATOM 539 C VAL A 33 -8.920 5.029 -6.801 1.00 0.00 C ATOM 540 O VAL A 33 -8.742 6.224 -6.534 1.00 0.00 O ATOM 541 CB VAL A 33 -8.943 3.533 -4.766 1.00 0.00 C ATOM 542 CG1 VAL A 33 -7.985 3.057 -3.695 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.841 4.645 -4.236 1.00 0.00 C ATOM 0 H VAL A 33 -6.600 4.525 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.104 3.041 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.602 2.710 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.546 2.779 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.432 2.192 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.287 3.857 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.353 4.302 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.235 5.519 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.578 4.910 -4.994 1.00 0.00 H new ATOM 553 N ASP A 34 -9.741 4.617 -7.741 1.00 0.00 N ATOM 554 CA ASP A 34 -10.502 5.557 -8.550 1.00 0.00 C ATOM 555 C ASP A 34 -11.792 5.885 -7.829 1.00 0.00 C ATOM 556 O ASP A 34 -12.872 5.501 -8.267 1.00 0.00 O ATOM 557 CB ASP A 34 -10.798 4.975 -9.939 1.00 0.00 C ATOM 558 CG ASP A 34 -9.540 4.647 -10.719 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.153 5.449 -11.593 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.929 3.586 -10.466 1.00 0.00 O ATOM 0 H ASP A 34 -9.903 3.636 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.916 6.465 -8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.398 4.071 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.396 5.688 -10.507 1.00 0.00 H new ATOM 565 N ALA A 35 -11.658 6.583 -6.708 1.00 0.00 N ATOM 566 CA ALA A 35 -12.764 6.807 -5.784 1.00 0.00 C ATOM 567 C ALA A 35 -13.999 7.358 -6.483 1.00 0.00 C ATOM 568 O ALA A 35 -15.111 6.895 -6.236 1.00 0.00 O ATOM 569 CB ALA A 35 -12.327 7.724 -4.658 1.00 0.00 C ATOM 0 H ALA A 35 -10.780 7.010 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.044 5.839 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.161 7.884 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.498 7.267 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.008 8.681 -5.071 1.00 0.00 H new ATOM 575 N SER A 36 -13.802 8.321 -7.369 1.00 0.00 N ATOM 576 CA SER A 36 -14.907 8.896 -8.122 1.00 0.00 C ATOM 577 C SER A 36 -15.598 7.823 -8.966 1.00 0.00 C ATOM 578 O SER A 36 -16.824 7.792 -9.069 1.00 0.00 O ATOM 579 CB SER A 36 -14.396 10.021 -9.019 1.00 0.00 C ATOM 580 OG SER A 36 -13.644 10.963 -8.269 1.00 0.00 O ATOM 0 H SER A 36 -12.889 8.721 -7.585 1.00 0.00 H new ATOM 0 HA SER A 36 -15.634 9.303 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.777 9.605 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.238 10.520 -9.499 1.00 0.00 H new ATOM 0 HG SER A 36 -13.325 11.674 -8.863 1.00 0.00 H new ATOM 586 N ALA A 37 -14.801 6.928 -9.535 1.00 0.00 N ATOM 587 CA ALA A 37 -15.317 5.859 -10.377 1.00 0.00 C ATOM 588 C ALA A 37 -15.979 4.756 -9.552 1.00 0.00 C ATOM 589 O ALA A 37 -16.924 4.119 -10.015 1.00 0.00 O ATOM 590 CB ALA A 37 -14.203 5.279 -11.231 1.00 0.00 C ATOM 0 H ALA A 37 -13.787 6.923 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.080 6.289 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.602 4.480 -11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.785 6.061 -11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.421 4.878 -10.586 1.00 0.00 H new ATOM 596 N LEU A 38 -15.501 4.527 -8.330 1.00 0.00 N ATOM 597 CA LEU A 38 -16.115 3.484 -7.489 1.00 0.00 C ATOM 598 C LEU A 38 -17.261 4.057 -6.664 1.00 0.00 C ATOM 599 O LEU A 38 -17.846 3.362 -5.840 1.00 0.00 O ATOM 600 CB LEU A 38 -15.136 2.738 -6.563 1.00 0.00 C ATOM 601 CG LEU A 38 -13.758 2.400 -7.121 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.657 3.147 -6.374 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.544 0.921 -6.990 1.00 0.00 C ATOM 0 H LEU A 38 -14.719 5.026 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.486 2.743 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.997 3.340 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.610 1.807 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.714 2.705 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.687 2.884 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.816 4.221 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.681 2.871 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.562 0.659 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.601 0.637 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.314 0.391 -7.551 1.00 0.00 H new ATOM 615 N GLY A 39 -17.577 5.329 -6.894 1.00 0.00 N ATOM 616 CA GLY A 39 -18.703 5.959 -6.220 1.00 0.00 C ATOM 617 C GLY A 39 -18.376 6.381 -4.801 1.00 0.00 C ATOM 618 O GLY A 39 -19.271 6.650 -3.997 1.00 0.00 O ATOM 0 H GLY A 39 -17.072 5.938 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.020 6.832 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.545 5.267 -6.204 1.00 0.00 H new ATOM 622 N LEU A 40 -17.092 6.443 -4.496 1.00 0.00 N ATOM 623 CA LEU A 40 -16.627 6.803 -3.168 1.00 0.00 C ATOM 624 C LEU A 40 -16.379 8.304 -3.096 1.00 0.00 C ATOM 625 O LEU A 40 -15.297 8.787 -3.435 1.00 0.00 O ATOM 626 CB LEU A 40 -15.341 6.040 -2.854 1.00 0.00 C ATOM 627 CG LEU A 40 -15.324 4.581 -3.318 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.077 3.872 -2.827 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.584 3.840 -2.878 1.00 0.00 C ATOM 0 H LEU A 40 -16.344 6.246 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.387 6.538 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.504 6.563 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.175 6.065 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.307 4.581 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.088 2.837 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.194 4.375 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.051 3.893 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.538 2.807 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.654 3.855 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.461 4.327 -3.305 1.00 0.00 H new ATOM 641 N HIS A 41 -17.388 9.041 -2.659 1.00 0.00 N ATOM 642 CA HIS A 41 -17.322 10.500 -2.648 1.00 0.00 C ATOM 643 C HIS A 41 -16.650 11.013 -1.378 1.00 0.00 C ATOM 644 O HIS A 41 -16.362 12.205 -1.253 1.00 0.00 O ATOM 645 CB HIS A 41 -18.730 11.102 -2.765 1.00 0.00 C ATOM 646 CG HIS A 41 -19.492 10.664 -3.991 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.341 11.277 -5.215 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.416 9.676 -4.185 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.130 10.697 -6.100 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.792 9.725 -5.505 1.00 0.00 N ATOM 0 H HIS A 41 -18.264 8.656 -2.306 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.725 10.810 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.303 10.830 -1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.648 12.189 -2.771 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.782 8.986 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.219 10.973 -7.140 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.472 9.110 -5.952 1.00 0.00 H new ATOM 659 N ASP A 42 -16.393 10.108 -0.448 1.00 0.00 N ATOM 660 CA ASP A 42 -15.846 10.467 0.858 1.00 0.00 C ATOM 661 C ASP A 42 -14.424 9.943 1.051 1.00 0.00 C ATOM 662 O ASP A 42 -13.887 9.978 2.157 1.00 0.00 O ATOM 663 CB ASP A 42 -16.750 9.920 1.966 1.00 0.00 C ATOM 664 CG ASP A 42 -17.109 8.452 1.773 1.00 0.00 C ATOM 665 OD1 ASP A 42 -16.468 7.768 0.943 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.057 7.987 2.440 1.00 0.00 O ATOM 0 H ASP A 42 -16.555 9.109 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.807 11.555 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.251 10.043 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.666 10.510 2.004 1.00 0.00 H new ATOM 671 N TYR A 43 -13.800 9.503 -0.031 1.00 0.00 N ATOM 672 CA TYR A 43 -12.497 8.851 0.050 1.00 0.00 C ATOM 673 C TYR A 43 -11.424 9.788 0.597 1.00 0.00 C ATOM 674 O TYR A 43 -10.600 9.387 1.416 1.00 0.00 O ATOM 675 CB TYR A 43 -12.097 8.316 -1.330 1.00 0.00 C ATOM 676 CG TYR A 43 -10.699 7.739 -1.415 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.450 6.432 -1.035 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.635 8.494 -1.898 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.182 5.888 -1.126 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.366 7.959 -1.993 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.142 6.657 -1.607 1.00 0.00 C ATOM 682 OH TYR A 43 -6.874 6.127 -1.699 1.00 0.00 O ATOM 0 H TYR A 43 -14.173 9.584 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.580 8.018 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.810 7.546 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.184 9.125 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.261 5.825 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.805 9.516 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.006 4.867 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.551 8.560 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.262 6.803 -2.058 1.00 0.00 H new ATOM 692 N HIS A 44 -11.454 11.040 0.171 1.00 0.00 N ATOM 693 CA HIS A 44 -10.424 11.992 0.568 1.00 0.00 C ATOM 694 C HIS A 44 -10.735 12.595 1.931 1.00 0.00 C ATOM 695 O HIS A 44 -9.951 13.375 2.471 1.00 0.00 O ATOM 696 CB HIS A 44 -10.269 13.094 -0.481 1.00 0.00 C ATOM 697 CG HIS A 44 -9.621 12.627 -1.750 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.340 12.980 -2.113 1.00 0.00 N ATOM 699 CD2 HIS A 44 -10.081 11.830 -2.743 1.00 0.00 C ATOM 700 CE1 HIS A 44 -8.041 12.424 -3.270 1.00 0.00 C ATOM 701 NE2 HIS A 44 -9.079 11.720 -3.673 1.00 0.00 N ATOM 0 H HIS A 44 -12.173 11.421 -0.444 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.480 11.452 0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.252 13.503 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.678 13.906 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.055 11.367 -2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.104 12.528 -3.798 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.129 11.180 -4.537 1.00 0.00 H new ATOM 710 N ASP A 45 -11.884 12.230 2.484 1.00 0.00 N ATOM 711 CA ASP A 45 -12.274 12.688 3.811 1.00 0.00 C ATOM 712 C ASP A 45 -11.808 11.697 4.868 1.00 0.00 C ATOM 713 O ASP A 45 -11.337 12.086 5.937 1.00 0.00 O ATOM 714 CB ASP A 45 -13.791 12.863 3.906 1.00 0.00 C ATOM 715 CG ASP A 45 -14.318 13.931 2.972 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.176 15.129 3.290 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.882 13.577 1.918 1.00 0.00 O ATOM 0 H ASP A 45 -12.563 11.617 2.033 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.800 13.654 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.277 11.914 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.059 13.119 4.931 1.00 0.00 H new ATOM 722 N ILE A 46 -11.940 10.415 4.558 1.00 0.00 N ATOM 723 CA ILE A 46 -11.533 9.356 5.474 1.00 0.00 C ATOM 724 C ILE A 46 -10.031 9.128 5.371 1.00 0.00 C ATOM 725 O ILE A 46 -9.324 9.062 6.380 1.00 0.00 O ATOM 726 CB ILE A 46 -12.289 8.023 5.199 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.736 8.086 5.696 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.587 6.835 5.857 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.618 9.088 4.979 1.00 0.00 C ATOM 0 H ILE A 46 -12.327 10.081 3.676 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.789 9.679 6.483 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.289 7.884 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.182 7.096 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.729 8.327 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.142 5.921 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.575 6.746 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.543 6.990 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.622 9.057 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.204 10.089 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.664 8.839 3.919 1.00 0.00 H new ATOM 741 N ILE A 47 -9.547 9.030 4.146 1.00 0.00 N ATOM 742 CA ILE A 47 -8.139 8.791 3.907 1.00 0.00 C ATOM 743 C ILE A 47 -7.367 10.104 3.917 1.00 0.00 C ATOM 744 O ILE A 47 -7.496 10.920 3.003 1.00 0.00 O ATOM 745 CB ILE A 47 -7.908 8.081 2.562 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.778 6.825 2.452 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.439 7.726 2.414 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.362 5.711 3.376 1.00 0.00 C ATOM 0 H ILE A 47 -10.112 9.113 3.301 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.779 8.146 4.709 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.193 8.758 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.813 7.092 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.747 6.462 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.280 7.223 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.840 8.636 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.141 7.064 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.026 4.857 3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.338 5.414 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.421 6.054 4.409 1.00 0.00 H new ATOM 760 N LYS A 48 -6.587 10.317 4.964 1.00 0.00 N ATOM 761 CA LYS A 48 -5.775 11.520 5.079 1.00 0.00 C ATOM 762 C LYS A 48 -4.357 11.295 4.563 1.00 0.00 C ATOM 763 O LYS A 48 -3.643 12.247 4.248 1.00 0.00 O ATOM 764 CB LYS A 48 -5.747 12.001 6.522 1.00 0.00 C ATOM 765 CG LYS A 48 -7.038 12.684 6.942 1.00 0.00 C ATOM 766 CD LYS A 48 -7.276 13.960 6.147 1.00 0.00 C ATOM 767 CE LYS A 48 -8.716 14.417 6.223 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.168 14.668 7.617 1.00 0.00 N ATOM 0 H LYS A 48 -6.498 9.672 5.749 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.232 12.290 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.560 11.152 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.916 12.694 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.876 12.002 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.998 12.919 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.625 14.749 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.003 13.794 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.834 15.329 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.357 13.661 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.132 15.059 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.163 13.775 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.525 15.346 8.073 1.00 0.00 H new ATOM 782 N HIS A 49 -3.948 10.037 4.488 1.00 0.00 N ATOM 783 CA HIS A 49 -2.649 9.679 3.918 1.00 0.00 C ATOM 784 C HIS A 49 -2.808 8.683 2.763 1.00 0.00 C ATOM 785 O HIS A 49 -2.416 7.521 2.885 1.00 0.00 O ATOM 786 CB HIS A 49 -1.735 9.081 4.993 1.00 0.00 C ATOM 787 CG HIS A 49 -1.329 10.055 6.056 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.145 10.757 6.025 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.959 10.438 7.191 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.065 11.528 7.092 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.153 11.354 7.816 1.00 0.00 N ATOM 0 H HIS A 49 -4.496 9.241 4.815 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.196 10.591 3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.244 8.239 5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.839 8.686 4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.919 10.087 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.754 12.190 7.332 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.361 11.824 8.697 1.00 0.00 H new ATOM 800 N PRO A 50 -3.411 9.111 1.634 1.00 0.00 N ATOM 801 CA PRO A 50 -3.575 8.255 0.450 1.00 0.00 C ATOM 802 C PRO A 50 -2.249 7.977 -0.251 1.00 0.00 C ATOM 803 O PRO A 50 -1.698 8.841 -0.940 1.00 0.00 O ATOM 804 CB PRO A 50 -4.495 9.076 -0.459 1.00 0.00 C ATOM 805 CG PRO A 50 -4.256 10.487 -0.056 1.00 0.00 C ATOM 806 CD PRO A 50 -4.002 10.447 1.425 1.00 0.00 C ATOM 0 HA PRO A 50 -3.973 7.274 0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.257 8.918 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.540 8.796 -0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.403 10.908 -0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.118 11.113 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.323 11.240 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.923 10.573 1.994 1.00 0.00 H new ATOM 814 N MET A 51 -1.736 6.773 -0.078 1.00 0.00 N ATOM 815 CA MET A 51 -0.463 6.405 -0.668 1.00 0.00 C ATOM 816 C MET A 51 -0.571 5.080 -1.411 1.00 0.00 C ATOM 817 O MET A 51 -1.376 4.221 -1.054 1.00 0.00 O ATOM 818 CB MET A 51 0.628 6.347 0.414 1.00 0.00 C ATOM 819 CG MET A 51 1.978 5.838 -0.088 1.00 0.00 C ATOM 820 SD MET A 51 2.532 6.698 -1.579 1.00 0.00 S ATOM 821 CE MET A 51 2.509 8.396 -1.028 1.00 0.00 C ATOM 0 H MET A 51 -2.181 6.034 0.466 1.00 0.00 H new ATOM 0 HA MET A 51 -0.184 7.168 -1.394 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.761 7.344 0.834 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.287 5.702 1.224 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.724 5.962 0.697 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.906 4.770 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.295 8.954 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.541 8.841 -1.259 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.677 8.432 0.048 1.00 0.00 H new ATOM 831 N ASP A 52 0.251 4.936 -2.445 1.00 0.00 N ATOM 832 CA ASP A 52 0.222 3.777 -3.327 1.00 0.00 C ATOM 833 C ASP A 52 1.655 3.321 -3.581 1.00 0.00 C ATOM 834 O ASP A 52 2.558 4.154 -3.577 1.00 0.00 O ATOM 835 CB ASP A 52 -0.448 4.144 -4.663 1.00 0.00 C ATOM 836 CG ASP A 52 -1.512 5.214 -4.505 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.217 6.393 -4.818 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.629 4.895 -4.053 1.00 0.00 O ATOM 0 H ASP A 52 0.960 5.625 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.350 2.975 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.312 4.492 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.897 3.251 -5.098 1.00 0.00 H new ATOM 843 N LEU A 53 1.883 2.030 -3.791 1.00 0.00 N ATOM 844 CA LEU A 53 3.247 1.531 -4.003 1.00 0.00 C ATOM 845 C LEU A 53 3.940 2.233 -5.169 1.00 0.00 C ATOM 846 O LEU A 53 5.111 2.607 -5.064 1.00 0.00 O ATOM 847 CB LEU A 53 3.243 0.022 -4.209 1.00 0.00 C ATOM 848 CG LEU A 53 3.115 -0.787 -2.924 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.840 -2.236 -3.248 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.373 -0.662 -2.085 1.00 0.00 C ATOM 0 H LEU A 53 1.157 1.314 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 53 3.818 1.759 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.419 -0.240 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.164 -0.266 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 53 2.279 -0.391 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.750 -2.805 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.911 -2.313 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.660 -2.638 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.261 -1.247 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.227 -1.034 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.536 0.385 -1.828 1.00 0.00 H new ATOM 862 N SER A 54 3.215 2.437 -6.263 1.00 0.00 N ATOM 863 CA SER A 54 3.769 3.135 -7.420 1.00 0.00 C ATOM 864 C SER A 54 4.157 4.572 -7.064 1.00 0.00 C ATOM 865 O SER A 54 5.078 5.138 -7.653 1.00 0.00 O ATOM 866 CB SER A 54 2.774 3.130 -8.580 1.00 0.00 C ATOM 867 OG SER A 54 2.485 1.804 -8.990 1.00 0.00 O ATOM 0 H SER A 54 2.248 2.132 -6.374 1.00 0.00 H new ATOM 0 HA SER A 54 4.670 2.604 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.854 3.631 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.183 3.694 -9.418 1.00 0.00 H new ATOM 0 HG SER A 54 1.797 1.424 -8.405 1.00 0.00 H new ATOM 873 N THR A 55 3.462 5.153 -6.092 1.00 0.00 N ATOM 874 CA THR A 55 3.747 6.510 -5.654 1.00 0.00 C ATOM 875 C THR A 55 4.927 6.521 -4.688 1.00 0.00 C ATOM 876 O THR A 55 5.740 7.446 -4.699 1.00 0.00 O ATOM 877 CB THR A 55 2.521 7.147 -4.984 1.00 0.00 C ATOM 878 OG1 THR A 55 1.335 6.751 -5.690 1.00 0.00 O ATOM 879 CG2 THR A 55 2.640 8.659 -5.006 1.00 0.00 C ATOM 0 H THR A 55 2.696 4.702 -5.593 1.00 0.00 H new ATOM 0 HA THR A 55 4.000 7.097 -6.537 1.00 0.00 H new ATOM 0 HB THR A 55 2.465 6.811 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.582 6.703 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.765 9.100 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.538 8.961 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.702 9.004 -6.038 1.00 0.00 H new ATOM 887 N VAL A 56 5.025 5.478 -3.867 1.00 0.00 N ATOM 888 CA VAL A 56 6.171 5.310 -2.982 1.00 0.00 C ATOM 889 C VAL A 56 7.436 5.190 -3.815 1.00 0.00 C ATOM 890 O VAL A 56 8.438 5.861 -3.563 1.00 0.00 O ATOM 891 CB VAL A 56 6.037 4.057 -2.088 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.289 3.860 -1.247 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.818 4.165 -1.194 1.00 0.00 C ATOM 0 H VAL A 56 4.325 4.739 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 56 6.216 6.184 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 56 5.916 3.190 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.174 2.972 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.151 3.734 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.441 4.732 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.742 3.273 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.911 5.044 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.923 4.256 -1.809 1.00 0.00 H new ATOM 903 N LYS A 57 7.362 4.345 -4.831 1.00 0.00 N ATOM 904 CA LYS A 57 8.473 4.130 -5.736 1.00 0.00 C ATOM 905 C LYS A 57 8.789 5.414 -6.477 1.00 0.00 C ATOM 906 O LYS A 57 9.946 5.764 -6.659 1.00 0.00 O ATOM 907 CB LYS A 57 8.138 3.029 -6.737 1.00 0.00 C ATOM 908 CG LYS A 57 9.247 2.005 -6.904 1.00 0.00 C ATOM 909 CD LYS A 57 8.889 0.957 -7.941 1.00 0.00 C ATOM 910 CE LYS A 57 9.904 -0.172 -7.955 1.00 0.00 C ATOM 911 NZ LYS A 57 11.187 0.237 -8.584 1.00 0.00 N ATOM 0 H LYS A 57 6.533 3.792 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 57 9.342 3.824 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.230 2.520 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.923 3.482 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.167 2.509 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.442 1.520 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.898 0.556 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.842 1.419 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.091 -0.503 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.491 -1.024 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.850 -0.564 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.014 0.529 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.596 1.033 -8.053 1.00 0.00 H new ATOM 925 N ARG A 58 7.737 6.107 -6.885 1.00 0.00 N ATOM 926 CA ARG A 58 7.860 7.387 -7.571 1.00 0.00 C ATOM 927 C ARG A 58 8.669 8.380 -6.744 1.00 0.00 C ATOM 928 O ARG A 58 9.637 8.969 -7.226 1.00 0.00 O ATOM 929 CB ARG A 58 6.469 7.952 -7.831 1.00 0.00 C ATOM 930 CG ARG A 58 6.472 9.253 -8.611 1.00 0.00 C ATOM 931 CD ARG A 58 5.065 9.777 -8.821 1.00 0.00 C ATOM 932 NE ARG A 58 5.060 11.015 -9.594 1.00 0.00 N ATOM 933 CZ ARG A 58 4.116 11.343 -10.472 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.084 10.532 -10.686 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.201 12.491 -11.132 1.00 0.00 N ATOM 0 H ARG A 58 6.774 5.799 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 58 8.382 7.226 -8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.883 7.213 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.968 8.113 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.063 9.997 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.952 9.098 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.469 9.024 -9.336 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.593 9.950 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 58 5.829 11.670 -9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.013 9.652 -10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.364 10.790 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.988 13.118 -10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.479 12.746 -11.806 1.00 0.00 H new ATOM 949 N LYS A 59 8.271 8.550 -5.496 1.00 0.00 N ATOM 950 CA LYS A 59 8.929 9.490 -4.603 1.00 0.00 C ATOM 951 C LYS A 59 10.317 8.975 -4.210 1.00 0.00 C ATOM 952 O LYS A 59 11.228 9.758 -3.932 1.00 0.00 O ATOM 953 CB LYS A 59 8.047 9.739 -3.376 1.00 0.00 C ATOM 954 CG LYS A 59 6.717 10.401 -3.718 1.00 0.00 C ATOM 955 CD LYS A 59 5.681 10.272 -2.600 1.00 0.00 C ATOM 956 CE LYS A 59 6.188 10.797 -1.263 1.00 0.00 C ATOM 957 NZ LYS A 59 6.672 9.700 -0.383 1.00 0.00 N ATOM 0 H LYS A 59 7.490 8.046 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 59 9.071 10.441 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.855 8.790 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.588 10.368 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.886 11.457 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.318 9.954 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.780 10.817 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.399 9.225 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.996 11.508 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.388 11.340 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.262 10.098 0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.858 9.205 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.235 9.029 -0.943 1.00 0.00 H new ATOM 971 N MET A 60 10.473 7.654 -4.197 1.00 0.00 N ATOM 972 CA MET A 60 11.784 7.033 -4.013 1.00 0.00 C ATOM 973 C MET A 60 12.678 7.321 -5.217 1.00 0.00 C ATOM 974 O MET A 60 13.877 7.550 -5.072 1.00 0.00 O ATOM 975 CB MET A 60 11.653 5.517 -3.828 1.00 0.00 C ATOM 976 CG MET A 60 12.985 4.801 -3.672 1.00 0.00 C ATOM 977 SD MET A 60 12.856 3.046 -4.045 1.00 0.00 S ATOM 978 CE MET A 60 11.541 2.587 -2.927 1.00 0.00 C ATOM 0 H MET A 60 9.707 6.991 -4.312 1.00 0.00 H new ATOM 0 HA MET A 60 12.233 7.458 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.040 5.319 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.125 5.100 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.722 5.259 -4.332 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.348 4.929 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.670 1.549 -2.620 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.569 3.232 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.580 2.699 -3.430 1.00 0.00 H new ATOM 988 N GLU A 61 12.083 7.309 -6.407 1.00 0.00 N ATOM 989 CA GLU A 61 12.813 7.599 -7.638 1.00 0.00 C ATOM 990 C GLU A 61 13.260 9.050 -7.663 1.00 0.00 C ATOM 991 O GLU A 61 14.299 9.380 -8.228 1.00 0.00 O ATOM 992 CB GLU A 61 11.951 7.306 -8.863 1.00 0.00 C ATOM 993 CG GLU A 61 11.742 5.826 -9.128 1.00 0.00 C ATOM 994 CD GLU A 61 10.976 5.570 -10.407 1.00 0.00 C ATOM 995 OE1 GLU A 61 9.728 5.620 -10.385 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.619 5.316 -11.446 1.00 0.00 O ATOM 0 H GLU A 61 11.094 7.101 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 61 13.692 6.955 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.979 7.783 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.415 7.760 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.711 5.329 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.203 5.383 -8.291 1.00 0.00 H new ATOM 1003 N ASN A 62 12.471 9.909 -7.032 1.00 0.00 N ATOM 1004 CA ASN A 62 12.817 11.324 -6.904 1.00 0.00 C ATOM 1005 C ASN A 62 13.819 11.498 -5.775 1.00 0.00 C ATOM 1006 O ASN A 62 14.300 12.597 -5.507 1.00 0.00 O ATOM 1007 CB ASN A 62 11.570 12.182 -6.639 1.00 0.00 C ATOM 1008 CG ASN A 62 10.680 12.360 -7.862 1.00 0.00 C ATOM 1009 OD1 ASN A 62 9.971 13.360 -7.985 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.705 11.401 -8.774 1.00 0.00 N ATOM 0 H ASN A 62 11.584 9.653 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 62 13.258 11.658 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.987 11.724 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.884 13.163 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.126 11.477 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.304 10.586 -8.641 1.00 0.00 H new ATOM 1017 N ARG A 63 14.115 10.372 -5.123 1.00 0.00 N ATOM 1018 CA ARG A 63 15.094 10.289 -4.048 1.00 0.00 C ATOM 1019 C ARG A 63 14.761 11.258 -2.925 1.00 0.00 C ATOM 1020 O ARG A 63 15.649 11.817 -2.279 1.00 0.00 O ATOM 1021 CB ARG A 63 16.499 10.539 -4.594 1.00 0.00 C ATOM 1022 CG ARG A 63 16.818 9.712 -5.827 1.00 0.00 C ATOM 1023 CD ARG A 63 16.971 8.228 -5.515 1.00 0.00 C ATOM 1024 NE ARG A 63 16.820 7.411 -6.720 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.835 6.907 -7.422 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.087 7.180 -7.080 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.596 6.152 -8.484 1.00 0.00 N ATOM 0 H ARG A 63 13.671 9.479 -5.334 1.00 0.00 H new ATOM 0 HA ARG A 63 15.061 9.283 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.605 11.596 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.229 10.316 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.026 9.845 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.739 10.081 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.950 8.047 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.226 7.931 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 63 15.873 7.214 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.277 7.778 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.860 6.792 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.635 5.956 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.373 5.767 -9.021 1.00 0.00 H new ATOM 1041 N ASP A 64 13.469 11.446 -2.695 1.00 0.00 N ATOM 1042 CA ASP A 64 13.002 12.297 -1.606 1.00 0.00 C ATOM 1043 C ASP A 64 13.092 11.566 -0.276 1.00 0.00 C ATOM 1044 O ASP A 64 12.931 12.163 0.788 1.00 0.00 O ATOM 1045 CB ASP A 64 11.568 12.766 -1.851 1.00 0.00 C ATOM 1046 CG ASP A 64 11.508 14.023 -2.694 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.775 15.119 -2.153 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.189 13.929 -3.897 1.00 0.00 O ATOM 0 H ASP A 64 12.724 11.021 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 64 13.649 13.174 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.009 11.972 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.080 12.950 -0.894 1.00 0.00 H new ATOM 1053 N TYR A 65 13.351 10.271 -0.356 1.00 0.00 N ATOM 1054 CA TYR A 65 13.509 9.431 0.824 1.00 0.00 C ATOM 1055 C TYR A 65 14.953 9.477 1.294 1.00 0.00 C ATOM 1056 O TYR A 65 15.876 9.573 0.484 1.00 0.00 O ATOM 1057 CB TYR A 65 13.134 7.974 0.518 1.00 0.00 C ATOM 1058 CG TYR A 65 11.682 7.746 0.159 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.058 6.538 0.445 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.938 8.728 -0.471 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.732 6.325 0.110 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.624 8.522 -0.802 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.023 7.325 -0.514 1.00 0.00 C ATOM 1064 OH TYR A 65 7.706 7.136 -0.859 1.00 0.00 O ATOM 0 H TYR A 65 13.458 9.771 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 65 12.845 9.811 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.755 7.621 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.378 7.362 1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.616 5.754 0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.401 9.675 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.258 5.381 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.062 9.304 -1.290 1.00 0.00 H new ATOM 0 HH TYR A 65 7.139 7.273 -0.072 1.00 0.00 H new ATOM 1074 N ARG A 66 15.141 9.426 2.597 1.00 0.00 N ATOM 1075 CA ARG A 66 16.474 9.383 3.171 1.00 0.00 C ATOM 1076 C ARG A 66 16.850 7.952 3.529 1.00 0.00 C ATOM 1077 O ARG A 66 18.006 7.555 3.387 1.00 0.00 O ATOM 1078 CB ARG A 66 16.553 10.313 4.397 1.00 0.00 C ATOM 1079 CG ARG A 66 17.879 10.275 5.153 1.00 0.00 C ATOM 1080 CD ARG A 66 17.861 9.235 6.263 1.00 0.00 C ATOM 1081 NE ARG A 66 19.167 9.073 6.897 1.00 0.00 N ATOM 1082 CZ ARG A 66 19.452 8.120 7.785 1.00 0.00 C ATOM 1083 NH1 ARG A 66 18.506 7.285 8.196 1.00 0.00 N ATOM 1084 NH2 ARG A 66 20.680 8.015 8.278 1.00 0.00 N ATOM 0 H ARG A 66 14.386 9.413 3.282 1.00 0.00 H new ATOM 0 HA ARG A 66 17.193 9.739 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.368 11.336 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.751 10.049 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.689 10.052 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.085 11.258 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.128 9.524 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.537 8.278 5.855 1.00 0.00 H new ATOM 0 HE ARG A 66 19.906 9.729 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.557 7.371 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.728 6.557 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.407 8.664 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.896 7.285 8.957 1.00 0.00 H new ATOM 1098 N ASP A 67 15.876 7.172 3.978 1.00 0.00 N ATOM 1099 CA ASP A 67 16.142 5.812 4.404 1.00 0.00 C ATOM 1100 C ASP A 67 14.959 4.894 4.153 1.00 0.00 C ATOM 1101 O ASP A 67 13.910 5.317 3.660 1.00 0.00 O ATOM 1102 CB ASP A 67 16.516 5.793 5.886 1.00 0.00 C ATOM 1103 CG ASP A 67 15.468 6.418 6.789 1.00 0.00 C ATOM 1104 OD1 ASP A 67 15.840 7.261 7.633 1.00 0.00 O ATOM 1105 OD2 ASP A 67 14.283 6.083 6.665 1.00 0.00 O ATOM 0 H ASP A 67 14.900 7.459 4.055 1.00 0.00 H new ATOM 0 HA ASP A 67 16.977 5.439 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.681 4.761 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.460 6.321 6.020 1.00 0.00 H new ATOM 1110 N ALA A 68 15.142 3.633 4.515 1.00 0.00 N ATOM 1111 CA ALA A 68 14.133 2.613 4.304 1.00 0.00 C ATOM 1112 C ALA A 68 13.013 2.753 5.316 1.00 0.00 C ATOM 1113 O ALA A 68 11.934 2.194 5.141 1.00 0.00 O ATOM 1114 CB ALA A 68 14.752 1.234 4.405 1.00 0.00 C ATOM 0 H ALA A 68 15.993 3.291 4.962 1.00 0.00 H new ATOM 0 HA ALA A 68 13.718 2.743 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.984 0.478 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.529 1.128 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.189 1.103 5.395 1.00 0.00 H new ATOM 1120 N GLN A 69 13.273 3.502 6.375 1.00 0.00 N ATOM 1121 CA GLN A 69 12.263 3.731 7.391 1.00 0.00 C ATOM 1122 C GLN A 69 11.239 4.737 6.878 1.00 0.00 C ATOM 1123 O GLN A 69 10.049 4.609 7.140 1.00 0.00 O ATOM 1124 CB GLN A 69 12.886 4.213 8.696 1.00 0.00 C ATOM 1125 CG GLN A 69 11.877 4.356 9.820 1.00 0.00 C ATOM 1126 CD GLN A 69 11.353 3.026 10.332 1.00 0.00 C ATOM 1127 OE1 GLN A 69 11.214 2.059 9.583 1.00 0.00 O ATOM 1128 NE2 GLN A 69 11.069 2.966 11.619 1.00 0.00 N ATOM 0 H GLN A 69 14.168 3.958 6.552 1.00 0.00 H new ATOM 0 HA GLN A 69 11.763 2.785 7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.664 3.513 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.371 5.174 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.338 4.899 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.038 4.959 9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.197 3.789 12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.721 2.097 12.025 1.00 0.00 H new ATOM 1137 N GLU A 70 11.712 5.730 6.127 1.00 0.00 N ATOM 1138 CA GLU A 70 10.824 6.670 5.460 1.00 0.00 C ATOM 1139 C GLU A 70 10.010 5.949 4.397 1.00 0.00 C ATOM 1140 O GLU A 70 8.853 6.291 4.140 1.00 0.00 O ATOM 1141 CB GLU A 70 11.604 7.828 4.836 1.00 0.00 C ATOM 1142 CG GLU A 70 12.293 8.709 5.860 1.00 0.00 C ATOM 1143 CD GLU A 70 12.770 10.016 5.271 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.037 10.062 4.055 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.879 11.006 6.024 1.00 0.00 O ATOM 0 H GLU A 70 12.705 5.901 5.968 1.00 0.00 H new ATOM 0 HA GLU A 70 10.150 7.088 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.351 7.426 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.923 8.438 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.605 8.913 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.143 8.173 6.283 1.00 0.00 H new ATOM 1152 N PHE A 71 10.625 4.948 3.785 1.00 0.00 N ATOM 1153 CA PHE A 71 9.915 4.068 2.874 1.00 0.00 C ATOM 1154 C PHE A 71 8.842 3.312 3.632 1.00 0.00 C ATOM 1155 O PHE A 71 7.670 3.347 3.260 1.00 0.00 O ATOM 1156 CB PHE A 71 10.870 3.081 2.193 1.00 0.00 C ATOM 1157 CG PHE A 71 10.191 1.818 1.714 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.519 1.792 0.507 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.223 0.662 2.482 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.892 0.639 0.071 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.598 -0.490 2.054 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.932 -0.504 0.846 1.00 0.00 C ATOM 0 H PHE A 71 11.614 4.726 3.904 1.00 0.00 H new ATOM 0 HA PHE A 71 9.455 4.678 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.344 3.574 1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.664 2.815 2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.483 2.682 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.745 0.665 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.371 0.632 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.630 -1.381 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.443 -1.406 0.507 1.00 0.00 H new ATOM 1172 N ALA A 72 9.258 2.629 4.699 1.00 0.00 N ATOM 1173 CA ALA A 72 8.344 1.885 5.540 1.00 0.00 C ATOM 1174 C ALA A 72 7.208 2.785 5.995 1.00 0.00 C ATOM 1175 O ALA A 72 6.045 2.428 5.879 1.00 0.00 O ATOM 1176 CB ALA A 72 9.082 1.286 6.729 1.00 0.00 C ATOM 0 H ALA A 72 10.233 2.581 4.996 1.00 0.00 H new ATOM 0 HA ALA A 72 7.919 1.063 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.380 0.730 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.862 0.613 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.533 2.085 7.317 1.00 0.00 H new ATOM 1182 N ALA A 73 7.560 3.975 6.445 1.00 0.00 N ATOM 1183 CA ALA A 73 6.590 4.958 6.888 1.00 0.00 C ATOM 1184 C ALA A 73 5.481 5.144 5.852 1.00 0.00 C ATOM 1185 O ALA A 73 4.295 5.147 6.189 1.00 0.00 O ATOM 1186 CB ALA A 73 7.300 6.277 7.152 1.00 0.00 C ATOM 0 H ALA A 73 8.529 4.287 6.514 1.00 0.00 H new ATOM 0 HA ALA A 73 6.124 4.605 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.575 7.020 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.056 6.135 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.778 6.623 6.236 1.00 0.00 H new ATOM 1192 N ASP A 74 5.879 5.250 4.593 1.00 0.00 N ATOM 1193 CA ASP A 74 4.940 5.521 3.509 1.00 0.00 C ATOM 1194 C ASP A 74 4.154 4.264 3.121 1.00 0.00 C ATOM 1195 O ASP A 74 2.930 4.303 2.981 1.00 0.00 O ATOM 1196 CB ASP A 74 5.693 6.068 2.294 1.00 0.00 C ATOM 1197 CG ASP A 74 4.943 7.180 1.587 1.00 0.00 C ATOM 1198 OD1 ASP A 74 3.940 7.681 2.138 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.383 7.589 0.494 1.00 0.00 O ATOM 0 H ASP A 74 6.849 5.152 4.294 1.00 0.00 H new ATOM 0 HA ASP A 74 4.225 6.266 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.667 6.439 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.876 5.256 1.591 1.00 0.00 H new ATOM 1204 N VAL A 75 4.856 3.141 2.962 1.00 0.00 N ATOM 1205 CA VAL A 75 4.215 1.889 2.551 1.00 0.00 C ATOM 1206 C VAL A 75 3.257 1.370 3.625 1.00 0.00 C ATOM 1207 O VAL A 75 2.161 0.898 3.312 1.00 0.00 O ATOM 1208 CB VAL A 75 5.247 0.787 2.189 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.302 0.627 3.265 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.567 -0.549 1.936 1.00 0.00 C ATOM 0 H VAL A 75 5.863 3.072 3.110 1.00 0.00 H new ATOM 0 HA VAL A 75 3.644 2.122 1.652 1.00 0.00 H new ATOM 0 HB VAL A 75 5.738 1.111 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.004 -0.154 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.838 1.568 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.824 0.352 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.318 -1.298 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.030 -0.860 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.864 -0.449 1.109 1.00 0.00 H new ATOM 1220 N ARG A 76 3.651 1.472 4.889 1.00 0.00 N ATOM 1221 CA ARG A 76 2.801 0.996 5.973 1.00 0.00 C ATOM 1222 C ARG A 76 1.584 1.897 6.106 1.00 0.00 C ATOM 1223 O ARG A 76 0.495 1.439 6.448 1.00 0.00 O ATOM 1224 CB ARG A 76 3.549 0.936 7.308 1.00 0.00 C ATOM 1225 CG ARG A 76 4.916 0.284 7.225 1.00 0.00 C ATOM 1226 CD ARG A 76 5.506 0.008 8.599 1.00 0.00 C ATOM 1227 NE ARG A 76 4.830 -1.102 9.268 1.00 0.00 N ATOM 1228 CZ ARG A 76 5.459 -2.032 9.986 1.00 0.00 C ATOM 1229 NH1 ARG A 76 6.770 -1.954 10.179 1.00 0.00 N ATOM 1230 NH2 ARG A 76 4.774 -3.038 10.515 1.00 0.00 N ATOM 0 H ARG A 76 4.540 1.874 5.186 1.00 0.00 H new ATOM 0 HA ARG A 76 2.489 -0.018 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.665 1.949 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.941 0.389 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.837 -0.651 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.591 0.931 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.567 -0.220 8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.429 0.904 9.214 1.00 0.00 H new ATOM 0 HE ARG A 76 3.816 -1.169 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.300 -1.180 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.248 -2.668 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.766 -3.100 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.256 -3.750 11.064 1.00 0.00 H new ATOM 1244 N LEU A 77 1.775 3.183 5.821 1.00 0.00 N ATOM 1245 CA LEU A 77 0.676 4.137 5.807 1.00 0.00 C ATOM 1246 C LEU A 77 -0.381 3.737 4.784 1.00 0.00 C ATOM 1247 O LEU A 77 -1.579 3.939 4.997 1.00 0.00 O ATOM 1248 CB LEU A 77 1.200 5.535 5.489 1.00 0.00 C ATOM 1249 CG LEU A 77 1.221 6.494 6.669 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.757 7.840 6.237 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.174 6.623 7.251 1.00 0.00 C ATOM 0 H LEU A 77 2.685 3.586 5.596 1.00 0.00 H new ATOM 0 HA LEU A 77 0.216 4.139 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.212 5.447 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.585 5.967 4.699 1.00 0.00 H new ATOM 0 HG LEU A 77 1.881 6.101 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.767 8.518 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.771 7.722 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.120 8.251 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.153 7.311 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.853 7.005 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.520 5.646 7.587 1.00 0.00 H new ATOM 1263 N MET A 78 0.077 3.174 3.678 1.00 0.00 N ATOM 1264 CA MET A 78 -0.816 2.683 2.641 1.00 0.00 C ATOM 1265 C MET A 78 -1.677 1.530 3.161 1.00 0.00 C ATOM 1266 O MET A 78 -2.902 1.559 3.035 1.00 0.00 O ATOM 1267 CB MET A 78 -0.019 2.267 1.403 1.00 0.00 C ATOM 1268 CG MET A 78 -0.847 1.549 0.351 1.00 0.00 C ATOM 1269 SD MET A 78 -0.749 -0.240 0.514 1.00 0.00 S ATOM 1270 CE MET A 78 0.948 -0.527 0.011 1.00 0.00 C ATOM 0 H MET A 78 1.068 3.045 3.474 1.00 0.00 H new ATOM 0 HA MET A 78 -1.489 3.491 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.428 3.155 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.801 1.618 1.712 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.887 1.863 0.433 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.503 1.841 -0.641 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.976 -1.314 -0.742 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.364 0.390 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.537 -0.831 0.876 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.047 0.525 3.761 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.801 -0.582 4.348 1.00 0.00 C ATOM 1282 C PHE A 79 -2.742 -0.068 5.443 1.00 0.00 C ATOM 1283 O PHE A 79 -3.875 -0.543 5.585 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.876 -1.661 4.921 1.00 0.00 C ATOM 1285 CG PHE A 79 0.009 -2.323 3.901 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.526 -2.877 2.749 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.376 -2.401 4.103 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.288 -3.492 1.815 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.194 -3.015 3.176 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.654 -3.561 2.029 1.00 0.00 C ATOM 0 H PHE A 79 -0.034 0.452 3.854 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.389 -1.034 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.250 -1.214 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.484 -2.424 5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.591 -2.828 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.808 -1.976 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.141 -3.918 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.259 -3.068 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.294 -4.040 1.302 1.00 0.00 H new ATOM 1300 N SER A 80 -2.273 0.922 6.196 1.00 0.00 N ATOM 1301 CA SER A 80 -3.045 1.501 7.285 1.00 0.00 C ATOM 1302 C SER A 80 -4.314 2.189 6.784 1.00 0.00 C ATOM 1303 O SER A 80 -5.395 1.987 7.349 1.00 0.00 O ATOM 1304 CB SER A 80 -2.189 2.499 8.070 1.00 0.00 C ATOM 1305 OG SER A 80 -1.031 1.870 8.592 1.00 0.00 O ATOM 0 H SER A 80 -1.352 1.342 6.068 1.00 0.00 H new ATOM 0 HA SER A 80 -3.346 0.683 7.940 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.898 3.325 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.775 2.925 8.884 1.00 0.00 H new ATOM 0 HG SER A 80 -0.313 1.902 7.926 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.198 2.994 5.724 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.354 3.738 5.231 1.00 0.00 C ATOM 1313 C ASN A 81 -6.411 2.785 4.675 1.00 0.00 C ATOM 1314 O ASN A 81 -7.608 3.053 4.773 1.00 0.00 O ATOM 1315 CB ASN A 81 -4.973 4.818 4.192 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.584 4.278 2.827 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.432 3.855 2.046 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.306 4.356 2.504 1.00 0.00 N ATOM 0 H ASN A 81 -3.334 3.144 5.202 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.777 4.269 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.815 5.499 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.143 5.404 4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.995 4.059 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.630 4.713 3.179 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.972 1.650 4.133 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.918 0.643 3.635 1.00 0.00 C ATOM 1327 C CYS A 82 -7.775 0.106 4.776 1.00 0.00 C ATOM 1328 O CYS A 82 -8.996 -0.016 4.635 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.222 -0.533 2.920 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.336 -1.897 2.515 1.00 0.00 S ATOM 0 H CYS A 82 -4.988 1.404 4.027 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.546 1.148 2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.761 -0.167 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.418 -0.908 3.554 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.653 -2.877 2.002 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.143 -0.195 5.917 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.883 -0.709 7.070 1.00 0.00 C ATOM 1338 C TYR A 83 -8.833 0.350 7.627 1.00 0.00 C ATOM 1339 O TYR A 83 -9.834 0.019 8.266 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.955 -1.158 8.204 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.080 -2.367 7.912 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.575 -3.473 7.223 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.760 -2.420 8.366 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.784 -4.586 6.996 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.971 -3.527 8.136 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.486 -4.604 7.454 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.696 -5.707 7.230 1.00 0.00 O ATOM 0 H TYR A 83 -6.139 -0.093 6.064 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.444 -1.570 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.308 -0.322 8.469 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.565 -1.379 9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.592 -3.461 6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.350 -1.579 8.906 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.183 -5.436 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.951 -3.548 8.491 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.808 -5.557 7.617 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.516 1.620 7.391 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.370 2.710 7.852 1.00 0.00 C ATOM 1359 C LYS A 84 -10.671 2.738 7.077 1.00 0.00 C ATOM 1360 O LYS A 84 -11.754 2.823 7.657 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.698 4.071 7.683 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.506 4.310 8.586 1.00 0.00 C ATOM 1363 CD LYS A 84 -6.981 5.727 8.420 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.104 6.753 8.532 1.00 0.00 C ATOM 1365 NZ LYS A 84 -7.589 8.144 8.552 1.00 0.00 N ATOM 0 H LYS A 84 -7.681 1.918 6.887 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.557 2.526 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.377 4.175 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.437 4.850 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.791 4.142 9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.717 3.595 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.225 5.928 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.492 5.824 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.789 6.633 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.676 6.566 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.753 8.562 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.569 8.140 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.083 8.708 7.831 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.552 2.676 5.763 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.694 2.847 4.896 1.00 0.00 C ATOM 1381 C TYR A 85 -12.533 1.580 4.844 1.00 0.00 C ATOM 1382 O TYR A 85 -13.711 1.577 5.201 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.243 3.213 3.486 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.399 3.591 2.591 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.997 4.824 2.754 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.901 2.739 1.608 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.064 5.215 1.974 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.969 3.122 0.820 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.549 4.364 1.010 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.612 4.761 0.230 1.00 0.00 O ATOM 0 H TYR A 85 -9.672 2.508 5.276 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.301 3.655 5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.540 4.044 3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.709 2.370 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.621 5.498 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.450 1.769 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.516 6.185 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.349 2.456 0.060 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.862 5.680 0.460 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.907 0.502 4.416 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.613 -0.739 4.167 1.00 0.00 C ATOM 1402 C ASN A 86 -12.797 -1.512 5.463 1.00 0.00 C ATOM 1403 O ASN A 86 -11.838 -1.725 6.207 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.846 -1.591 3.153 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.579 -0.861 1.852 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.386 -0.909 0.922 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.434 -0.201 1.772 1.00 0.00 N ATOM 0 H ASN A 86 -10.905 0.461 4.232 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.595 -0.502 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.897 -1.902 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.413 -2.498 2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.190 0.295 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.796 -0.189 2.568 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.040 -1.921 5.762 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.333 -2.740 6.937 1.00 0.00 C ATOM 1416 C PRO A 87 -13.605 -4.084 6.886 1.00 0.00 C ATOM 1417 O PRO A 87 -13.288 -4.588 5.805 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.854 -2.942 6.887 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.273 -2.571 5.507 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.251 -1.597 4.992 1.00 0.00 C ATOM 0 HA PRO A 87 -14.000 -2.263 7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.118 -3.976 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.355 -2.318 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.324 -3.453 4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.267 -2.123 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.088 -1.717 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.564 -0.566 5.154 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.333 -4.667 8.074 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.509 -5.881 8.247 1.00 0.00 C ATOM 1430 C PRO A 88 -12.913 -7.058 7.362 1.00 0.00 C ATOM 1431 O PRO A 88 -12.128 -7.985 7.162 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.710 -6.256 9.721 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.830 -5.402 10.212 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.804 -4.166 9.370 1.00 0.00 C ATOM 0 HA PRO A 88 -11.478 -5.672 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.951 -7.314 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.802 -6.078 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.785 -5.919 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.702 -5.159 11.267 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.790 -3.708 9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.133 -3.411 9.780 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.129 -7.033 6.852 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.583 -8.077 5.934 1.00 0.00 C ATOM 1444 C ASP A 89 -14.739 -7.520 4.526 1.00 0.00 C ATOM 1445 O ASP A 89 -15.848 -7.421 4.000 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.897 -8.735 6.397 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.692 -9.671 7.570 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -15.627 -9.193 8.722 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -15.589 -10.895 7.342 1.00 0.00 O ATOM 0 H ASP A 89 -14.821 -6.310 7.051 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.817 -8.852 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.610 -7.959 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.335 -9.288 5.566 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.616 -7.145 3.926 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.608 -6.640 2.560 1.00 0.00 C ATOM 1456 C HIS A 90 -12.327 -7.084 1.861 1.00 0.00 C ATOM 1457 O HIS A 90 -11.292 -7.204 2.509 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.688 -5.107 2.541 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.294 -4.537 1.280 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.567 -4.368 0.123 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.554 -4.103 0.983 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.338 -3.862 -0.817 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.545 -3.693 -0.325 1.00 0.00 N ATOM 0 H HIS A 90 -12.697 -7.182 4.366 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.478 -7.041 2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.276 -4.774 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.685 -4.700 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.400 -4.086 1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.030 -3.625 -1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.345 -3.318 -0.834 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.383 -7.322 0.561 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.232 -7.859 -0.174 1.00 0.00 C ATOM 1474 C ASP A 91 -9.947 -7.066 0.077 1.00 0.00 C ATOM 1475 O ASP A 91 -8.889 -7.650 0.319 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.521 -7.900 -1.675 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.550 -8.953 -2.046 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.712 -8.588 -2.326 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.197 -10.154 -2.053 1.00 0.00 O ATOM 0 H ASP A 91 -13.209 -7.155 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.074 -8.871 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.876 -6.922 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.594 -8.098 -2.214 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.049 -5.739 0.056 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.866 -4.881 0.123 1.00 0.00 C ATOM 1486 C VAL A 92 -8.150 -4.998 1.467 1.00 0.00 C ATOM 1487 O VAL A 92 -6.943 -4.789 1.540 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.185 -3.394 -0.160 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.140 -2.800 -1.085 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.573 -3.227 -0.747 1.00 0.00 C ATOM 0 H VAL A 92 -10.934 -5.235 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.205 -5.242 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.161 -2.858 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.376 -1.753 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.158 -2.871 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.134 -3.348 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.764 -2.170 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.640 -3.779 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.313 -3.611 -0.045 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.873 -5.355 2.526 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.245 -5.491 3.836 1.00 0.00 C ATOM 1502 C VAL A 93 -7.556 -6.844 3.946 1.00 0.00 C ATOM 1503 O VAL A 93 -6.493 -6.964 4.554 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.241 -5.311 5.011 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.029 -4.026 4.850 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.187 -6.491 5.144 1.00 0.00 C ATOM 0 H VAL A 93 -9.874 -5.552 2.505 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.512 -4.688 3.916 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.651 -5.257 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.722 -3.917 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.344 -3.178 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.588 -4.057 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.866 -6.321 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.763 -6.601 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.612 -7.400 5.323 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.159 -7.855 3.333 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.573 -9.186 3.290 1.00 0.00 C ATOM 1518 C ALA A 94 -6.307 -9.170 2.449 1.00 0.00 C ATOM 1519 O ALA A 94 -5.313 -9.815 2.784 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.571 -10.190 2.731 1.00 0.00 C ATOM 0 H ALA A 94 -9.058 -7.776 2.857 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.316 -9.489 4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.116 -11.180 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.457 -10.214 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.856 -9.896 1.721 1.00 0.00 H new ATOM 1526 N MET A 95 -6.347 -8.420 1.356 1.00 0.00 N ATOM 1527 CA MET A 95 -5.181 -8.267 0.499 1.00 0.00 C ATOM 1528 C MET A 95 -4.120 -7.410 1.189 1.00 0.00 C ATOM 1529 O MET A 95 -2.926 -7.681 1.063 1.00 0.00 O ATOM 1530 CB MET A 95 -5.574 -7.672 -0.863 1.00 0.00 C ATOM 1531 CG MET A 95 -6.475 -8.583 -1.697 1.00 0.00 C ATOM 1532 SD MET A 95 -6.709 -7.990 -3.390 1.00 0.00 S ATOM 1533 CE MET A 95 -8.181 -6.983 -3.229 1.00 0.00 C ATOM 0 H MET A 95 -7.173 -7.909 1.043 1.00 0.00 H new ATOM 0 HA MET A 95 -4.756 -9.254 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.084 -6.722 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.668 -7.455 -1.429 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.044 -9.584 -1.725 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.447 -8.668 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.022 -7.490 -3.702 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.400 -6.825 -2.173 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.018 -6.020 -3.714 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.557 -6.406 1.956 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.626 -5.550 2.696 1.00 0.00 C ATOM 1545 C ALA A 96 -2.966 -6.342 3.818 1.00 0.00 C ATOM 1546 O ALA A 96 -1.842 -6.061 4.222 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.342 -4.332 3.270 1.00 0.00 C ATOM 0 H ALA A 96 -5.541 -6.168 2.080 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.860 -5.202 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.628 -3.713 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.780 -3.751 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.130 -4.659 3.948 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.688 -7.338 4.312 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.227 -8.164 5.416 1.00 0.00 C ATOM 1555 C ARG A 97 -2.192 -9.183 4.944 1.00 0.00 C ATOM 1556 O ARG A 97 -1.174 -9.399 5.600 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.423 -8.878 6.043 1.00 0.00 C ATOM 1558 CG ARG A 97 -4.112 -9.585 7.347 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.314 -10.371 7.838 1.00 0.00 C ATOM 1560 NE ARG A 97 -5.815 -11.286 6.811 1.00 0.00 N ATOM 1561 CZ ARG A 97 -7.106 -11.530 6.592 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.038 -10.947 7.337 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -7.469 -12.356 5.618 1.00 0.00 N ATOM 0 H ARG A 97 -4.609 -7.595 3.958 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.750 -7.524 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.215 -8.150 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.811 -9.607 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.265 -10.257 7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.818 -8.854 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.040 -10.937 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.106 -9.681 8.130 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.132 -11.767 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.767 -10.307 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.024 -11.139 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.759 -12.803 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.457 -12.543 5.450 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.450 -9.802 3.802 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.543 -10.804 3.260 1.00 0.00 C ATOM 1579 C LYS A 98 -0.276 -10.143 2.710 1.00 0.00 C ATOM 1580 O LYS A 98 0.835 -10.650 2.885 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.252 -11.615 2.176 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.421 -12.762 1.630 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.111 -13.444 0.463 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.273 -14.580 -0.090 1.00 0.00 C ATOM 1585 NZ LYS A 98 -0.932 -15.587 0.951 1.00 0.00 N ATOM 0 H LYS A 98 -3.279 -9.629 3.233 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.245 -11.481 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.182 -12.013 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.521 -10.950 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.448 -12.388 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.239 -13.489 2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.079 -13.828 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.303 -12.715 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.815 -15.067 -0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.355 -14.177 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.571 -16.449 0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.203 -15.199 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.783 -15.818 1.503 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.449 -9.007 2.044 1.00 0.00 N ATOM 1600 CA LEU A 99 0.686 -8.204 1.601 1.00 0.00 C ATOM 1601 C LEU A 99 1.465 -7.647 2.791 1.00 0.00 C ATOM 1602 O LEU A 99 2.660 -7.379 2.685 1.00 0.00 O ATOM 1603 CB LEU A 99 0.242 -7.055 0.695 1.00 0.00 C ATOM 1604 CG LEU A 99 0.289 -7.301 -0.822 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.864 -6.085 -1.504 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.133 -8.509 -1.191 1.00 0.00 C ATOM 0 H LEU A 99 -1.361 -8.622 1.799 1.00 0.00 H new ATOM 0 HA LEU A 99 1.338 -8.864 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.780 -6.789 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.866 -6.189 0.917 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.732 -7.494 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.900 -6.254 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.237 -5.219 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.872 -5.902 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.132 -8.637 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.155 -8.358 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.718 -9.400 -0.720 1.00 0.00 H new ATOM 1618 N GLN A 100 0.789 -7.462 3.916 1.00 0.00 N ATOM 1619 CA GLN A 100 1.471 -7.090 5.150 1.00 0.00 C ATOM 1620 C GLN A 100 2.444 -8.195 5.539 1.00 0.00 C ATOM 1621 O GLN A 100 3.584 -7.929 5.907 1.00 0.00 O ATOM 1622 CB GLN A 100 0.462 -6.852 6.287 1.00 0.00 C ATOM 1623 CG GLN A 100 1.108 -6.583 7.642 1.00 0.00 C ATOM 1624 CD GLN A 100 1.922 -5.301 7.680 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.918 -5.209 8.398 1.00 0.00 O ATOM 1626 NE2 GLN A 100 1.495 -4.297 6.930 1.00 0.00 N ATOM 0 H GLN A 100 -0.222 -7.562 4.001 1.00 0.00 H new ATOM 0 HA GLN A 100 2.016 -6.161 4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.173 -6.006 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.187 -7.724 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.330 -6.533 8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.754 -7.422 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.665 -4.412 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.996 -3.408 6.934 1.00 0.00 H new ATOM 1635 N ASP A 101 1.983 -9.435 5.422 1.00 0.00 N ATOM 1636 CA ASP A 101 2.789 -10.604 5.764 1.00 0.00 C ATOM 1637 C ASP A 101 4.104 -10.625 4.988 1.00 0.00 C ATOM 1638 O ASP A 101 5.171 -10.818 5.571 1.00 0.00 O ATOM 1639 CB ASP A 101 1.999 -11.887 5.492 1.00 0.00 C ATOM 1640 CG ASP A 101 2.807 -13.138 5.760 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.257 -13.327 6.910 1.00 0.00 O ATOM 1642 OD2 ASP A 101 2.986 -13.949 4.826 1.00 0.00 O ATOM 0 H ASP A 101 1.045 -9.659 5.089 1.00 0.00 H new ATOM 0 HA ASP A 101 3.028 -10.545 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.104 -11.897 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.665 -11.890 4.454 1.00 0.00 H new ATOM 1647 N VAL A 102 4.027 -10.420 3.678 1.00 0.00 N ATOM 1648 CA VAL A 102 5.226 -10.409 2.845 1.00 0.00 C ATOM 1649 C VAL A 102 6.095 -9.182 3.127 1.00 0.00 C ATOM 1650 O VAL A 102 7.281 -9.313 3.424 1.00 0.00 O ATOM 1651 CB VAL A 102 4.895 -10.490 1.333 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.733 -9.606 0.969 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.093 -10.115 0.484 1.00 0.00 C ATOM 0 H VAL A 102 3.156 -10.260 3.172 1.00 0.00 H new ATOM 0 HA VAL A 102 5.789 -11.304 3.111 1.00 0.00 H new ATOM 0 HB VAL A 102 4.624 -11.526 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.532 -9.691 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.851 -9.915 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.973 -8.571 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.827 -10.182 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.399 -9.095 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.916 -10.798 0.695 1.00 0.00 H new ATOM 1663 N PHE A 103 5.499 -8.000 3.048 1.00 0.00 N ATOM 1664 CA PHE A 103 6.226 -6.753 3.285 1.00 0.00 C ATOM 1665 C PHE A 103 6.908 -6.748 4.660 1.00 0.00 C ATOM 1666 O PHE A 103 8.048 -6.291 4.791 1.00 0.00 O ATOM 1667 CB PHE A 103 5.294 -5.542 3.122 1.00 0.00 C ATOM 1668 CG PHE A 103 5.737 -4.334 3.910 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.925 -3.690 3.595 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.987 -3.858 4.984 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.360 -2.606 4.331 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.418 -2.774 5.715 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.606 -2.149 5.392 1.00 0.00 C ATOM 0 H PHE A 103 4.512 -7.875 2.821 1.00 0.00 H new ATOM 0 HA PHE A 103 7.014 -6.680 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.237 -5.277 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.288 -5.822 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.517 -4.041 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.059 -4.344 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.289 -2.117 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.826 -2.412 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.945 -1.302 5.970 1.00 0.00 H new ATOM 1683 N GLU A 104 6.241 -7.288 5.675 1.00 0.00 N ATOM 1684 CA GLU A 104 6.794 -7.262 7.026 1.00 0.00 C ATOM 1685 C GLU A 104 7.938 -8.260 7.133 1.00 0.00 C ATOM 1686 O GLU A 104 8.894 -8.048 7.876 1.00 0.00 O ATOM 1687 CB GLU A 104 5.719 -7.544 8.090 1.00 0.00 C ATOM 1688 CG GLU A 104 5.486 -9.019 8.407 1.00 0.00 C ATOM 1689 CD GLU A 104 4.421 -9.214 9.464 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.609 -8.720 10.596 1.00 0.00 O ATOM 1691 OE2 GLU A 104 3.397 -9.863 9.175 1.00 0.00 O ATOM 0 H GLU A 104 5.331 -7.742 5.592 1.00 0.00 H new ATOM 0 HA GLU A 104 7.175 -6.259 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.999 -7.031 9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.777 -7.108 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.193 -9.543 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.419 -9.468 8.747 1.00 0.00 H new ATOM 1698 N PHE A 105 7.837 -9.334 6.359 1.00 0.00 N ATOM 1699 CA PHE A 105 8.882 -10.343 6.287 1.00 0.00 C ATOM 1700 C PHE A 105 10.104 -9.764 5.580 1.00 0.00 C ATOM 1701 O PHE A 105 11.249 -10.033 5.951 1.00 0.00 O ATOM 1702 CB PHE A 105 8.349 -11.572 5.542 1.00 0.00 C ATOM 1703 CG PHE A 105 9.315 -12.719 5.442 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.848 -13.086 4.217 1.00 0.00 C ATOM 1705 CD2 PHE A 105 9.678 -13.436 6.570 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.726 -14.148 4.118 1.00 0.00 C ATOM 1707 CE2 PHE A 105 10.558 -14.498 6.477 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.082 -14.854 5.249 1.00 0.00 C ATOM 0 H PHE A 105 7.030 -9.528 5.766 1.00 0.00 H new ATOM 0 HA PHE A 105 9.178 -10.646 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.446 -11.919 6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.059 -11.271 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.574 -12.535 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.270 -13.163 7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 105 11.133 -14.425 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.836 -15.049 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.769 -15.684 5.174 1.00 0.00 H new ATOM 1718 N ARG A 106 9.841 -8.936 4.574 1.00 0.00 N ATOM 1719 CA ARG A 106 10.889 -8.270 3.826 1.00 0.00 C ATOM 1720 C ARG A 106 11.650 -7.304 4.729 1.00 0.00 C ATOM 1721 O ARG A 106 12.878 -7.368 4.835 1.00 0.00 O ATOM 1722 CB ARG A 106 10.284 -7.524 2.632 1.00 0.00 C ATOM 1723 CG ARG A 106 9.769 -8.423 1.560 1.00 0.00 C ATOM 1724 CD ARG A 106 10.925 -9.057 0.838 1.00 0.00 C ATOM 1725 NE ARG A 106 12.043 -8.128 0.617 1.00 0.00 N ATOM 1726 CZ ARG A 106 12.709 -8.009 -0.537 1.00 0.00 C ATOM 1727 NH1 ARG A 106 12.328 -8.683 -1.611 1.00 0.00 N ATOM 1728 NH2 ARG A 106 13.760 -7.202 -0.611 1.00 0.00 N ATOM 0 H ARG A 106 8.897 -8.712 4.259 1.00 0.00 H new ATOM 0 HA ARG A 106 11.590 -9.018 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.470 -6.891 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.040 -6.863 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.130 -9.193 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.156 -7.857 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.279 -9.913 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.581 -9.438 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 106 12.330 -7.535 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.518 -9.302 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.844 -8.584 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.057 -6.675 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.270 -7.109 -1.489 1.00 0.00 H new ATOM 1742 N TYR A 107 10.913 -6.436 5.411 1.00 0.00 N ATOM 1743 CA TYR A 107 11.532 -5.426 6.264 1.00 0.00 C ATOM 1744 C TYR A 107 12.185 -6.074 7.486 1.00 0.00 C ATOM 1745 O TYR A 107 13.212 -5.602 7.967 1.00 0.00 O ATOM 1746 CB TYR A 107 10.510 -4.362 6.693 1.00 0.00 C ATOM 1747 CG TYR A 107 11.147 -3.149 7.347 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.499 -2.024 6.604 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.419 -3.139 8.708 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.102 -0.933 7.203 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.014 -2.051 9.312 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.354 -0.952 8.557 1.00 0.00 C ATOM 1753 OH TYR A 107 12.962 0.127 9.160 1.00 0.00 O ATOM 0 H TYR A 107 9.894 -6.410 5.392 1.00 0.00 H new ATOM 0 HA TYR A 107 12.310 -4.929 5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.943 -4.040 5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.799 -4.810 7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.298 -2.004 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.160 -4.000 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.374 -0.071 6.612 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.212 -2.062 10.374 1.00 0.00 H new ATOM 0 HH TYR A 107 12.279 0.711 9.551 1.00 0.00 H new ATOM 1763 N ALA A 108 11.604 -7.168 7.971 1.00 0.00 N ATOM 1764 CA ALA A 108 12.162 -7.886 9.114 1.00 0.00 C ATOM 1765 C ALA A 108 13.552 -8.424 8.797 1.00 0.00 C ATOM 1766 O ALA A 108 14.437 -8.439 9.655 1.00 0.00 O ATOM 1767 CB ALA A 108 11.248 -9.025 9.537 1.00 0.00 C ATOM 0 H ALA A 108 10.749 -7.576 7.592 1.00 0.00 H new ATOM 0 HA ALA A 108 12.244 -7.179 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.685 -9.545 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.273 -8.625 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.130 -9.723 8.708 1.00 0.00 H new ATOM 1773 N LYS A 109 13.745 -8.856 7.557 1.00 0.00 N ATOM 1774 CA LYS A 109 15.035 -9.395 7.142 1.00 0.00 C ATOM 1775 C LYS A 109 15.954 -8.279 6.655 1.00 0.00 C ATOM 1776 O LYS A 109 17.135 -8.504 6.396 1.00 0.00 O ATOM 1777 CB LYS A 109 14.865 -10.451 6.048 1.00 0.00 C ATOM 1778 CG LYS A 109 14.019 -11.643 6.471 1.00 0.00 C ATOM 1779 CD LYS A 109 13.994 -12.742 5.415 1.00 0.00 C ATOM 1780 CE LYS A 109 13.594 -12.223 4.039 1.00 0.00 C ATOM 1781 NZ LYS A 109 14.769 -11.774 3.247 1.00 0.00 N ATOM 0 H LYS A 109 13.033 -8.844 6.827 1.00 0.00 H new ATOM 0 HA LYS A 109 15.490 -9.871 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.409 -9.985 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.849 -10.806 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.409 -12.049 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.000 -11.310 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.979 -13.204 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.296 -13.521 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.069 -13.008 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.896 -11.393 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.617 -10.797 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.623 -11.814 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.891 -12.397 2.423 1.00 0.00 H new ATOM 1795 N MET A 110 15.397 -7.087 6.501 1.00 0.00 N ATOM 1796 CA MET A 110 16.196 -5.910 6.174 1.00 0.00 C ATOM 1797 C MET A 110 16.940 -5.423 7.414 1.00 0.00 C ATOM 1798 O MET A 110 16.321 -5.116 8.433 1.00 0.00 O ATOM 1799 CB MET A 110 15.306 -4.795 5.590 1.00 0.00 C ATOM 1800 CG MET A 110 15.992 -3.437 5.456 1.00 0.00 C ATOM 1801 SD MET A 110 15.815 -2.417 6.932 1.00 0.00 S ATOM 1802 CE MET A 110 16.673 -0.935 6.415 1.00 0.00 C ATOM 0 H MET A 110 14.398 -6.907 6.596 1.00 0.00 H new ATOM 0 HA MET A 110 16.930 -6.182 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.953 -5.107 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.426 -4.682 6.223 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.051 -3.589 5.250 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.574 -2.906 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.286 -0.079 6.968 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.739 -1.044 6.614 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.517 -0.778 5.348 1.00 0.00 H new ATOM 1812 N PRO A 111 18.282 -5.381 7.358 1.00 0.00 N ATOM 1813 CA PRO A 111 19.089 -4.923 8.478 1.00 0.00 C ATOM 1814 C PRO A 111 19.220 -3.407 8.521 1.00 0.00 C ATOM 1815 O PRO A 111 19.245 -2.739 7.483 1.00 0.00 O ATOM 1816 CB PRO A 111 20.442 -5.573 8.222 1.00 0.00 C ATOM 1817 CG PRO A 111 20.531 -5.720 6.738 1.00 0.00 C ATOM 1818 CD PRO A 111 19.117 -5.783 6.209 1.00 0.00 C ATOM 0 HA PRO A 111 18.646 -5.191 9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.254 -4.956 8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.514 -6.541 8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.068 -4.879 6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.081 -6.623 6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.979 -5.111 5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.865 -6.786 5.865 1.00 0.00 H new ATOM 1826 N ASP A 112 19.303 -2.874 9.728 1.00 0.00 N ATOM 1827 CA ASP A 112 19.433 -1.441 9.927 1.00 0.00 C ATOM 1828 C ASP A 112 20.887 -1.027 9.773 1.00 0.00 C ATOM 1829 O ASP A 112 21.685 -1.305 10.691 1.00 0.00 O ATOM 1830 CB ASP A 112 18.911 -1.031 11.309 1.00 0.00 C ATOM 1831 CG ASP A 112 17.408 -1.188 11.445 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.945 -2.299 11.781 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.678 -0.197 11.230 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.233 -0.438 8.730 1.00 0.00 O ATOM 0 H ASP A 112 19.282 -3.417 10.591 1.00 0.00 H new ATOM 0 HA ASP A 112 18.833 -0.933 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.404 -1.634 12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.181 0.008 11.500 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -23.885 11.412 7.973 1.00 0.00 N ATOM 1841 CA HIS B 281 -22.928 10.366 7.549 1.00 0.00 C ATOM 1842 C HIS B 281 -22.595 9.448 8.720 1.00 0.00 C ATOM 1843 O HIS B 281 -21.626 9.671 9.447 1.00 0.00 O ATOM 1844 CB HIS B 281 -21.651 11.015 6.997 1.00 0.00 C ATOM 1845 CG HIS B 281 -20.643 10.045 6.448 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -20.632 9.633 5.132 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -19.596 9.425 7.042 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -19.623 8.803 4.944 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -18.980 8.662 6.085 1.00 0.00 N ATOM 0 HA HIS B 281 -23.386 9.768 6.761 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -21.927 11.716 6.210 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -21.182 11.596 7.791 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -19.301 9.515 8.077 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -19.368 8.321 4.012 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -18.156 8.079 6.232 1.00 0.00 H new ATOM 1860 N ASN B 282 -23.416 8.428 8.911 1.00 0.00 N ATOM 1861 CA ASN B 282 -23.168 7.426 9.938 1.00 0.00 C ATOM 1862 C ASN B 282 -22.455 6.233 9.324 1.00 0.00 C ATOM 1863 O ASN B 282 -21.490 5.710 9.881 1.00 0.00 O ATOM 1864 CB ASN B 282 -24.484 6.979 10.582 1.00 0.00 C ATOM 1865 CG ASN B 282 -24.291 5.915 11.649 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -23.277 5.886 12.347 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -25.267 5.033 11.785 1.00 0.00 N ATOM 0 H ASN B 282 -24.264 8.271 8.366 1.00 0.00 H new ATOM 0 HA ASN B 282 -22.538 7.863 10.713 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -24.978 7.844 11.024 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -25.148 6.594 9.808 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -25.195 4.296 12.487 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -26.092 5.089 11.188 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.927 5.826 8.157 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.342 4.704 7.445 1.00 0.00 C ATOM 1876 C LEU B 283 -21.239 5.189 6.518 1.00 0.00 C ATOM 1877 O LEU B 283 -21.217 6.353 6.117 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.400 3.948 6.629 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.446 3.166 7.433 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -25.457 4.100 8.081 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.148 2.158 6.538 1.00 0.00 C ATOM 0 H LEU B 283 -23.718 6.259 7.681 1.00 0.00 H new ATOM 0 HA LEU B 283 -21.925 4.022 8.186 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -23.921 4.666 5.996 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -22.887 3.251 5.966 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.930 2.631 8.231 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -26.185 3.515 8.643 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -24.941 4.783 8.756 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.971 4.672 7.309 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -25.888 1.609 7.120 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -25.644 2.681 5.720 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -24.416 1.460 6.131 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.324 4.296 6.198 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.265 4.592 5.254 1.00 0.00 C ATOM 1895 C LEU B 284 -19.439 3.718 4.021 1.00 0.00 C ATOM 1896 O LEU B 284 -19.864 2.566 4.127 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.896 4.345 5.896 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.686 4.617 4.995 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.649 6.072 4.561 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -15.397 4.248 5.709 1.00 0.00 C ATOM 0 H LEU B 284 -20.293 3.351 6.582 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.319 5.641 4.964 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -17.813 4.970 6.785 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.853 3.308 6.230 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.782 3.997 4.104 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -15.781 6.239 3.923 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.558 6.310 4.008 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -16.581 6.712 5.440 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -14.549 4.448 5.055 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -15.302 4.842 6.618 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.415 3.189 5.968 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.131 4.268 2.858 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.258 3.525 1.616 1.00 0.00 C ATOM 1914 C ARG B 285 -18.153 2.489 1.521 1.00 0.00 C ATOM 1915 O ARG B 285 -17.034 2.723 1.972 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.197 4.452 0.394 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.401 5.374 0.230 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.384 6.521 1.223 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.463 7.479 0.979 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.356 8.788 1.208 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.233 9.289 1.698 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.376 9.596 0.948 1.00 0.00 N ATOM 0 H ARG B 285 -18.792 5.224 2.748 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.231 3.033 1.620 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.296 5.062 0.463 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.100 3.841 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.415 5.774 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.318 4.798 0.358 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.474 6.125 2.235 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.424 7.035 1.166 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.347 7.125 0.613 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -19.446 8.673 1.902 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -20.155 10.291 1.872 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.245 9.216 0.572 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -22.291 10.597 1.124 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.469 1.336 0.964 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.461 0.319 0.748 1.00 0.00 C ATOM 1938 C ILE B 286 -16.915 0.422 -0.669 1.00 0.00 C ATOM 1939 O ILE B 286 -17.670 0.558 -1.633 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.996 -1.110 1.007 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.141 -1.456 0.051 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.446 -1.246 2.456 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.646 -2.873 0.197 1.00 0.00 C ATOM 0 H ILE B 286 -19.408 1.082 0.655 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.662 0.498 1.467 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.186 -1.816 0.822 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.967 -0.766 0.222 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.805 -1.303 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.821 -2.255 2.627 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.602 -1.055 3.119 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.238 -0.525 2.660 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.456 -3.045 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.833 -3.571 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.013 -3.026 1.212 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.171 2.192 0.569 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.567 1.686 -0.375 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.039 1.588 -0.322 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.200 1.222 -1.443 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.647 1.264 -1.614 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.094 0.419 -2.797 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.580 0.561 -3.075 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.417 0.286 -1.838 1.00 0.00 C HETATM 1963 CA ALY B 287 -14.912 0.449 -2.061 1.00 0.00 C HETATM 1964 N ALY B 287 -15.595 0.400 -0.775 1.00 0.00 N HETATM 1965 C ALY B 287 -15.421 -0.660 -2.980 1.00 0.00 C HETATM 1966 O ALY B 287 -15.594 -1.800 -2.543 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.613 2.587 -0.234 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.742 0.990 0.540 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.673 1.117 -1.234 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.641 0.811 -2.190 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -12.868 -0.128 -3.869 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -12.787 1.568 -3.437 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -10.967 2.296 -1.761 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.132 0.906 -0.706 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -10.861 -0.628 -2.602 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.531 0.711 -3.683 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.113 1.410 -2.535 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.102 0.959 -1.041 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.219 -0.729 -1.495 1.00 0.00 H new HETATM 0 H ALY B 287 -15.058 0.272 0.083 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.657 -0.334 -4.245 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.145 -1.319 -5.204 1.00 0.00 C ATOM 1983 C GLN B 288 -14.992 -2.216 -5.662 1.00 0.00 C ATOM 1984 O GLN B 288 -14.570 -2.186 -6.820 1.00 0.00 O ATOM 1985 CB GLN B 288 -16.812 -0.625 -6.399 1.00 0.00 C ATOM 1986 CG GLN B 288 -17.931 -1.437 -7.044 1.00 0.00 C ATOM 1987 CD GLN B 288 -17.448 -2.717 -7.699 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -17.362 -3.765 -7.060 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -17.137 -2.642 -8.982 1.00 0.00 N ATOM 0 H GLN B 288 -15.519 0.600 -4.630 1.00 0.00 H new ATOM 0 HA GLN B 288 -16.897 -1.942 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.215 0.333 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -16.053 -0.410 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.674 -1.684 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.431 -0.822 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -17.222 -1.754 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -16.812 -3.472 -9.477 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.477 -2.990 -4.721 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.421 -3.955 -4.981 1.00 0.00 C ATOM 2000 C PHE B 289 -13.932 -5.357 -4.706 1.00 0.00 C ATOM 2001 O PHE B 289 -13.272 -6.147 -4.032 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.203 -3.678 -4.093 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.197 -2.718 -4.665 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.540 -1.805 -5.650 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -9.896 -2.735 -4.201 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.596 -0.930 -6.157 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -8.952 -1.865 -4.699 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.302 -0.959 -5.680 1.00 0.00 C ATOM 0 H PHE B 289 -14.782 -2.966 -3.748 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.123 -3.867 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.552 -3.287 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -11.702 -4.624 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.553 -1.777 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.615 -3.442 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -10.872 -0.224 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -7.940 -1.891 -4.323 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.565 -0.275 -6.073 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.126 -5.648 -5.202 1.00 0.00 N ATOM 2019 CA LEU B 290 -15.740 -6.951 -5.005 1.00 0.00 C ATOM 2020 C LEU B 290 -15.063 -7.988 -5.894 1.00 0.00 C ATOM 2021 O LEU B 290 -15.515 -8.265 -7.005 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.239 -6.884 -5.311 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.025 -5.847 -4.502 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -19.481 -5.824 -4.940 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -17.921 -6.136 -3.011 1.00 0.00 C ATOM 0 H LEU B 290 -15.690 -4.995 -5.746 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.612 -7.246 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -17.368 -6.667 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -17.674 -7.867 -5.132 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.591 -4.865 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -20.025 -5.082 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -19.539 -5.566 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -19.924 -6.807 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.486 -5.388 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -18.327 -7.126 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -16.875 -6.101 -2.706 1.00 0.00 H new ATOM 2037 N GLN B 291 -13.970 -8.548 -5.399 1.00 0.00 N ATOM 2038 CA GLN B 291 -13.179 -9.492 -6.167 1.00 0.00 C ATOM 2039 C GLN B 291 -13.810 -10.880 -6.131 1.00 0.00 C ATOM 2040 O GLN B 291 -13.814 -11.551 -5.097 1.00 0.00 O ATOM 2041 CB GLN B 291 -11.744 -9.534 -5.629 1.00 0.00 C ATOM 2042 CG GLN B 291 -10.809 -10.452 -6.406 1.00 0.00 C ATOM 2043 CD GLN B 291 -10.770 -10.139 -7.890 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -10.007 -9.282 -8.334 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -11.562 -10.855 -8.670 1.00 0.00 N ATOM 0 H GLN B 291 -13.610 -8.362 -4.463 1.00 0.00 H new ATOM 0 HA GLN B 291 -13.153 -9.162 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -11.335 -8.524 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -11.768 -9.856 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -9.803 -10.368 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -11.125 -11.486 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -12.181 -11.556 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -11.554 -10.706 -9.679 1.00 0.00 H new ATOM 2054 N SER B 292 -14.347 -11.298 -7.264 1.00 0.00 N ATOM 2055 CA SER B 292 -14.965 -12.603 -7.369 1.00 0.00 C ATOM 2056 C SER B 292 -14.384 -13.344 -8.570 1.00 0.00 C ATOM 2057 O SER B 292 -14.882 -13.154 -9.697 1.00 0.00 O ATOM 2058 CB SER B 292 -16.485 -12.455 -7.492 1.00 0.00 C ATOM 2059 OG SER B 292 -17.149 -13.679 -7.223 1.00 0.00 O ATOM 2060 OXT SER B 292 -13.408 -14.099 -8.384 1.00 0.00 O ATOM 0 H SER B 292 -14.366 -10.750 -8.124 1.00 0.00 H new ATOM 0 HA SER B 292 -14.756 -13.183 -6.470 1.00 0.00 H new ATOM 0 HB2 SER B 292 -16.835 -11.690 -6.799 1.00 0.00 H new ATOM 0 HB3 SER B 292 -16.739 -12.115 -8.496 1.00 0.00 H new ATOM 0 HG SER B 292 -18.117 -13.552 -7.308 1.00 0.00 H new TER 2066 SER B 292