USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -59:sc= 1.21 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.0197 (180deg=-0.24) USER MOD Single : A 8 ASN : amide:sc= -0.907! C(o=-0.91!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -1.28 (180deg=-1.63) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00881 USER MOD Single : A 22 ASN : amide:sc= -2.35 K(o=-2.4,f=-4.7!) USER MOD Single : A 23 THR OG1 : rot 99:sc= 1 USER MOD Single : A 27 THR OG1 : rot -131:sc= -1 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= -1.91! (180deg=-2.11!) USER MOD Single : A 29 THR OG1 : rot 82:sc= 0.3 USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0277 (180deg=-0.183) USER MOD Single : A 33 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.939 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.88 K(o=-3.9,f=-6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 74:sc= 0.222 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -2.53! (180deg=-3.3!) USER MOD Single : A 52 GLN : amide:sc= -7.93! C(o=-7.9!,f=-4.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -4.22! (180deg=-7.56!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 34:sc= -5.49! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.866 K(o=-0.87,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 88:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.815 -17.975 1.991 1.00 0.00 N ATOM 21 CA VAL A 2 -0.205 -17.603 0.717 1.00 0.00 C ATOM 22 C VAL A 2 0.910 -16.592 0.947 1.00 0.00 C ATOM 23 O VAL A 2 0.725 -15.579 1.621 1.00 0.00 O ATOM 24 CB VAL A 2 -1.274 -17.047 -0.251 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.636 -16.984 0.443 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.898 -15.641 -0.740 1.00 0.00 C ATOM 0 HA VAL A 2 0.230 -18.491 0.259 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.326 -17.719 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.380 -16.591 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.929 -17.985 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.571 -16.332 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.667 -15.274 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.817 -14.968 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.058 -15.681 -1.262 1.00 0.00 H new ATOM 36 N SER A 3 2.068 -16.890 0.378 1.00 0.00 N ATOM 37 CA SER A 3 3.232 -16.025 0.506 1.00 0.00 C ATOM 38 C SER A 3 3.350 -15.119 -0.710 1.00 0.00 C ATOM 39 O SER A 3 3.171 -15.562 -1.843 1.00 0.00 O ATOM 40 CB SER A 3 4.499 -16.871 0.640 1.00 0.00 C ATOM 41 OG SER A 3 4.337 -17.794 1.709 1.00 0.00 O ATOM 0 H SER A 3 2.228 -17.729 -0.180 1.00 0.00 H new ATOM 0 HA SER A 3 3.113 -15.410 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.694 -17.405 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.360 -16.229 0.826 1.00 0.00 H new ATOM 0 HG SER A 3 4.167 -17.305 2.541 1.00 0.00 H new ATOM 47 N LEU A 4 3.644 -13.847 -0.472 1.00 0.00 N ATOM 48 CA LEU A 4 3.775 -12.890 -1.565 1.00 0.00 C ATOM 49 C LEU A 4 5.022 -12.043 -1.393 1.00 0.00 C ATOM 50 O LEU A 4 5.618 -11.998 -0.317 1.00 0.00 O ATOM 51 CB LEU A 4 2.548 -11.980 -1.611 1.00 0.00 C ATOM 52 CG LEU A 4 1.310 -12.826 -1.903 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.050 -11.998 -1.634 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.324 -13.297 -3.367 1.00 0.00 C ATOM 0 H LEU A 4 3.795 -13.456 0.458 1.00 0.00 H new ATOM 0 HA LEU A 4 3.854 -13.448 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.431 -11.458 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.673 -11.218 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 4 1.314 -13.701 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.833 -12.602 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.037 -11.684 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.048 -11.118 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.437 -13.899 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.328 -12.430 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.217 -13.896 -3.548 1.00 0.00 H new ATOM 66 N THR A 5 5.409 -11.372 -2.469 1.00 0.00 N ATOM 67 CA THR A 5 6.595 -10.515 -2.445 1.00 0.00 C ATOM 68 C THR A 5 6.264 -9.106 -2.915 1.00 0.00 C ATOM 69 O THR A 5 6.026 -8.874 -4.099 1.00 0.00 O ATOM 70 CB THR A 5 7.693 -11.094 -3.344 1.00 0.00 C ATOM 71 OG1 THR A 5 8.333 -12.169 -2.671 1.00 0.00 O ATOM 72 CG2 THR A 5 8.723 -10.003 -3.667 1.00 0.00 C ATOM 0 H THR A 5 4.925 -11.401 -3.366 1.00 0.00 H new ATOM 0 HA THR A 5 6.947 -10.473 -1.414 1.00 0.00 H new ATOM 0 HB THR A 5 7.251 -11.456 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.035 -12.542 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.503 -10.417 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.230 -9.179 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.168 -9.638 -2.742 1.00 0.00 H new ATOM 80 N PHE A 6 6.281 -8.161 -1.983 1.00 0.00 N ATOM 81 CA PHE A 6 6.012 -6.770 -2.316 1.00 0.00 C ATOM 82 C PHE A 6 7.338 -6.041 -2.512 1.00 0.00 C ATOM 83 O PHE A 6 8.118 -5.903 -1.570 1.00 0.00 O ATOM 84 CB PHE A 6 5.210 -6.112 -1.193 1.00 0.00 C ATOM 85 CG PHE A 6 3.879 -6.811 -1.056 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.767 -7.959 -0.263 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.757 -6.315 -1.725 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.532 -8.606 -0.139 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.523 -6.963 -1.600 1.00 0.00 C ATOM 90 CZ PHE A 6 1.410 -8.107 -0.808 1.00 0.00 C ATOM 0 H PHE A 6 6.477 -8.332 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 6 5.429 -6.718 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.762 -6.169 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.058 -5.055 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.633 -8.346 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.842 -5.431 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.446 -9.491 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.657 -6.577 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.457 -8.606 -0.712 1.00 0.00 H new ATOM 100 N LYS A 7 7.607 -5.602 -3.742 1.00 0.00 N ATOM 101 CA LYS A 7 8.866 -4.921 -4.038 1.00 0.00 C ATOM 102 C LYS A 7 8.639 -3.474 -4.471 1.00 0.00 C ATOM 103 O LYS A 7 7.568 -3.115 -4.960 1.00 0.00 O ATOM 104 CB LYS A 7 9.618 -5.687 -5.134 1.00 0.00 C ATOM 105 CG LYS A 7 8.979 -5.414 -6.505 1.00 0.00 C ATOM 106 CD LYS A 7 9.758 -4.308 -7.229 1.00 0.00 C ATOM 107 CE LYS A 7 10.944 -4.918 -7.979 1.00 0.00 C ATOM 108 NZ LYS A 7 10.453 -5.615 -9.201 1.00 0.00 N ATOM 0 H LYS A 7 6.979 -5.704 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 7 9.462 -4.901 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.665 -5.385 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.597 -6.756 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.979 -6.324 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.938 -5.116 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.103 -3.786 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.111 -3.569 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.655 -4.138 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.473 -5.620 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.234 -5.716 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.094 -6.557 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.688 -5.060 -9.634 1.00 0.00 H new ATOM 122 N ASN A 8 9.670 -2.652 -4.282 1.00 0.00 N ATOM 123 CA ASN A 8 9.609 -1.238 -4.645 1.00 0.00 C ATOM 124 C ASN A 8 10.624 -0.920 -5.740 1.00 0.00 C ATOM 125 O ASN A 8 11.422 -1.773 -6.127 1.00 0.00 O ATOM 126 CB ASN A 8 9.908 -0.378 -3.416 1.00 0.00 C ATOM 127 CG ASN A 8 11.181 -0.873 -2.736 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.666 -1.962 -3.046 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.755 -0.137 -1.824 1.00 0.00 N ATOM 0 H ASN A 8 10.560 -2.943 -3.878 1.00 0.00 H new ATOM 0 HA ASN A 8 8.608 -1.019 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.024 0.665 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.072 -0.421 -2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.606 -0.463 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.352 0.765 -1.568 1.00 0.00 H new ATOM 136 N PHE A 9 10.591 0.314 -6.233 1.00 0.00 N ATOM 137 CA PHE A 9 11.514 0.733 -7.282 1.00 0.00 C ATOM 138 C PHE A 9 12.953 0.728 -6.768 1.00 0.00 C ATOM 139 O PHE A 9 13.862 1.217 -7.438 1.00 0.00 O ATOM 140 CB PHE A 9 11.147 2.141 -7.768 1.00 0.00 C ATOM 141 CG PHE A 9 10.093 2.052 -8.849 1.00 0.00 C ATOM 142 CD1 PHE A 9 8.931 1.300 -8.638 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.278 2.724 -10.064 1.00 0.00 C ATOM 144 CE1 PHE A 9 7.955 1.220 -9.639 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.304 2.644 -11.066 1.00 0.00 C ATOM 146 CZ PHE A 9 8.142 1.892 -10.853 1.00 0.00 C ATOM 0 H PHE A 9 9.940 1.037 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 9 11.436 0.029 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.777 2.738 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.033 2.645 -8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.787 0.781 -7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.174 3.305 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.059 0.640 -9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.448 3.162 -12.003 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.390 1.830 -11.625 1.00 0.00 H new ATOM 156 N LYS A 10 13.153 0.171 -5.577 1.00 0.00 N ATOM 157 CA LYS A 10 14.485 0.103 -4.985 1.00 0.00 C ATOM 158 C LYS A 10 15.093 -1.273 -5.221 1.00 0.00 C ATOM 159 O LYS A 10 16.122 -1.620 -4.642 1.00 0.00 O ATOM 160 CB LYS A 10 14.403 0.379 -3.482 1.00 0.00 C ATOM 161 CG LYS A 10 13.758 1.749 -3.242 1.00 0.00 C ATOM 162 CD LYS A 10 14.721 2.873 -3.669 1.00 0.00 C ATOM 163 CE LYS A 10 14.178 3.580 -4.915 1.00 0.00 C ATOM 164 NZ LYS A 10 15.172 4.585 -5.389 1.00 0.00 N ATOM 0 H LYS A 10 12.414 -0.238 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 10 15.117 0.857 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.819 -0.399 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.400 0.354 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.827 1.824 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.503 1.859 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.840 3.590 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.708 2.459 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.978 2.852 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.231 4.069 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.804 5.065 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.342 5.286 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.065 4.106 -5.624 1.00 0.00 H new ATOM 178 N LYS A 11 14.443 -2.050 -6.080 1.00 0.00 N ATOM 179 CA LYS A 11 14.914 -3.391 -6.401 1.00 0.00 C ATOM 180 C LYS A 11 14.985 -4.262 -5.150 1.00 0.00 C ATOM 181 O LYS A 11 15.817 -5.165 -5.060 1.00 0.00 O ATOM 182 CB LYS A 11 16.296 -3.322 -7.057 1.00 0.00 C ATOM 183 CG LYS A 11 16.252 -2.380 -8.274 1.00 0.00 C ATOM 184 CD LYS A 11 17.115 -1.143 -8.005 1.00 0.00 C ATOM 185 CE LYS A 11 17.059 -0.208 -9.215 1.00 0.00 C ATOM 186 NZ LYS A 11 17.800 1.046 -8.907 1.00 0.00 N ATOM 0 H LYS A 11 13.590 -1.774 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 11 14.203 -3.839 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.033 -2.966 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.611 -4.318 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.613 -2.900 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.224 -2.080 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.759 -0.625 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.145 -1.441 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.496 -0.696 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.023 0.021 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.762 1.682 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.364 1.514 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.791 0.819 -8.690 1.00 0.00 H new ATOM 200 N GLU A 12 14.103 -3.990 -4.190 1.00 0.00 N ATOM 201 CA GLU A 12 14.069 -4.762 -2.948 1.00 0.00 C ATOM 202 C GLU A 12 12.714 -5.443 -2.786 1.00 0.00 C ATOM 203 O GLU A 12 11.677 -4.837 -3.043 1.00 0.00 O ATOM 204 CB GLU A 12 14.320 -3.844 -1.748 1.00 0.00 C ATOM 205 CG GLU A 12 15.548 -2.956 -2.011 1.00 0.00 C ATOM 206 CD GLU A 12 16.567 -3.114 -0.885 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.942 -4.241 -0.607 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.957 -2.106 -0.319 1.00 0.00 O ATOM 0 H GLU A 12 13.407 -3.247 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 12 14.851 -5.520 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.444 -3.222 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.479 -4.441 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.004 -3.227 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.241 -1.913 -2.089 1.00 0.00 H new ATOM 215 N LYS A 13 12.733 -6.704 -2.361 1.00 0.00 N ATOM 216 CA LYS A 13 11.500 -7.460 -2.169 1.00 0.00 C ATOM 217 C LYS A 13 11.180 -7.588 -0.681 1.00 0.00 C ATOM 218 O LYS A 13 12.072 -7.804 0.140 1.00 0.00 O ATOM 219 CB LYS A 13 11.645 -8.857 -2.789 1.00 0.00 C ATOM 220 CG LYS A 13 13.119 -9.288 -2.778 1.00 0.00 C ATOM 221 CD LYS A 13 13.834 -8.749 -4.028 1.00 0.00 C ATOM 222 CE LYS A 13 13.798 -9.800 -5.141 1.00 0.00 C ATOM 223 NZ LYS A 13 12.384 -10.150 -5.453 1.00 0.00 N ATOM 0 H LYS A 13 13.585 -7.221 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 13 10.684 -6.929 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.044 -9.575 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.267 -8.851 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.609 -8.914 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.188 -10.375 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.352 -7.832 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.867 -8.497 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.294 -9.417 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.344 -10.691 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.355 -10.758 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.965 -10.656 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.843 -9.281 -5.635 1.00 0.00 H new ATOM 237 N VAL A 14 9.899 -7.456 -0.344 1.00 0.00 N ATOM 238 CA VAL A 14 9.457 -7.563 1.046 1.00 0.00 C ATOM 239 C VAL A 14 8.484 -8.729 1.202 1.00 0.00 C ATOM 240 O VAL A 14 7.267 -8.543 1.158 1.00 0.00 O ATOM 241 CB VAL A 14 8.768 -6.265 1.472 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.363 -6.361 2.943 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.732 -5.092 1.285 1.00 0.00 C ATOM 0 H VAL A 14 9.150 -7.275 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 14 10.328 -7.738 1.678 1.00 0.00 H new ATOM 0 HB VAL A 14 7.880 -6.108 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.872 -5.436 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.677 -7.197 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.251 -6.518 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.242 -4.167 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.620 -5.250 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.022 -5.023 0.236 1.00 0.00 H new ATOM 253 N PRO A 15 8.994 -9.922 1.372 1.00 0.00 N ATOM 254 CA PRO A 15 8.152 -11.145 1.528 1.00 0.00 C ATOM 255 C PRO A 15 7.088 -10.991 2.612 1.00 0.00 C ATOM 256 O PRO A 15 7.320 -10.359 3.642 1.00 0.00 O ATOM 257 CB PRO A 15 9.155 -12.241 1.900 1.00 0.00 C ATOM 258 CG PRO A 15 10.469 -11.766 1.376 1.00 0.00 C ATOM 259 CD PRO A 15 10.430 -10.239 1.433 1.00 0.00 C ATOM 0 HA PRO A 15 7.593 -11.364 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.192 -12.390 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.876 -13.197 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.291 -12.156 1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.628 -12.113 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.885 -9.861 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.974 -9.794 0.600 1.00 0.00 H new ATOM 267 N LEU A 16 5.927 -11.586 2.367 1.00 0.00 N ATOM 268 CA LEU A 16 4.822 -11.530 3.318 1.00 0.00 C ATOM 269 C LEU A 16 3.942 -12.765 3.184 1.00 0.00 C ATOM 270 O LEU A 16 4.086 -13.547 2.246 1.00 0.00 O ATOM 271 CB LEU A 16 3.955 -10.292 3.061 1.00 0.00 C ATOM 272 CG LEU A 16 4.635 -9.032 3.599 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.751 -7.812 3.295 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.841 -9.151 5.116 1.00 0.00 C ATOM 0 H LEU A 16 5.725 -12.113 1.517 1.00 0.00 H new ATOM 0 HA LEU A 16 5.248 -11.484 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.774 -10.185 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.983 -10.418 3.538 1.00 0.00 H new ATOM 0 HG LEU A 16 5.606 -8.914 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.231 -6.911 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.614 -7.722 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.781 -7.937 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.326 -8.249 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.875 -9.273 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.469 -10.016 5.331 1.00 0.00 H new ATOM 286 N ASP A 17 3.015 -12.911 4.121 1.00 0.00 N ATOM 287 CA ASP A 17 2.079 -14.031 4.109 1.00 0.00 C ATOM 288 C ASP A 17 0.691 -13.540 4.495 1.00 0.00 C ATOM 289 O ASP A 17 0.529 -12.835 5.491 1.00 0.00 O ATOM 290 CB ASP A 17 2.522 -15.117 5.086 1.00 0.00 C ATOM 291 CG ASP A 17 3.959 -15.534 4.792 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.158 -16.269 3.840 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.839 -15.110 5.524 1.00 0.00 O ATOM 0 H ASP A 17 2.890 -12.267 4.902 1.00 0.00 H new ATOM 0 HA ASP A 17 2.057 -14.453 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.444 -14.750 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.861 -15.980 5.006 1.00 0.00 H new ATOM 298 N LEU A 18 -0.303 -13.904 3.696 1.00 0.00 N ATOM 299 CA LEU A 18 -1.676 -13.475 3.958 1.00 0.00 C ATOM 300 C LEU A 18 -2.669 -14.605 3.723 1.00 0.00 C ATOM 301 O LEU A 18 -2.286 -15.744 3.459 1.00 0.00 O ATOM 302 CB LEU A 18 -2.030 -12.307 3.038 1.00 0.00 C ATOM 303 CG LEU A 18 -1.245 -11.053 3.456 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.369 -10.582 2.293 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.226 -9.942 3.840 1.00 0.00 C ATOM 0 H LEU A 18 -0.190 -14.489 2.868 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.738 -13.172 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.798 -12.564 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.101 -12.108 3.084 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.612 -11.291 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.186 -9.693 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.331 -11.372 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.999 -10.345 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.670 -9.052 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.860 -9.706 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.847 -10.276 4.671 1.00 0.00 H new ATOM 317 N GLU A 19 -3.955 -14.267 3.821 1.00 0.00 N ATOM 318 CA GLU A 19 -5.021 -15.239 3.615 1.00 0.00 C ATOM 319 C GLU A 19 -5.978 -14.742 2.530 1.00 0.00 C ATOM 320 O GLU A 19 -6.144 -13.536 2.353 1.00 0.00 O ATOM 321 CB GLU A 19 -5.787 -15.445 4.925 1.00 0.00 C ATOM 322 CG GLU A 19 -4.906 -16.205 5.918 1.00 0.00 C ATOM 323 CD GLU A 19 -4.848 -17.682 5.542 1.00 0.00 C ATOM 324 OE1 GLU A 19 -4.021 -18.030 4.715 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.632 -18.442 6.084 1.00 0.00 O ATOM 0 H GLU A 19 -4.281 -13.326 4.042 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.585 -16.186 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.078 -14.482 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.705 -16.001 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.901 -15.783 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.302 -16.094 6.927 1.00 0.00 H new ATOM 332 N PRO A 20 -6.610 -15.634 1.812 1.00 0.00 N ATOM 333 CA PRO A 20 -7.568 -15.255 0.735 1.00 0.00 C ATOM 334 C PRO A 20 -8.590 -14.239 1.229 1.00 0.00 C ATOM 335 O PRO A 20 -9.130 -13.454 0.451 1.00 0.00 O ATOM 336 CB PRO A 20 -8.261 -16.574 0.351 1.00 0.00 C ATOM 337 CG PRO A 20 -7.768 -17.620 1.306 1.00 0.00 C ATOM 338 CD PRO A 20 -6.486 -17.089 1.942 1.00 0.00 C ATOM 0 HA PRO A 20 -7.062 -14.785 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.345 -16.473 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.026 -16.849 -0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.518 -17.827 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.578 -18.558 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.402 -17.392 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.600 -17.463 1.429 1.00 0.00 H new ATOM 346 N SER A 21 -8.853 -14.272 2.528 1.00 0.00 N ATOM 347 CA SER A 21 -9.822 -13.356 3.123 1.00 0.00 C ATOM 348 C SER A 21 -9.181 -12.006 3.421 1.00 0.00 C ATOM 349 O SER A 21 -9.849 -10.974 3.380 1.00 0.00 O ATOM 350 CB SER A 21 -10.385 -13.953 4.413 1.00 0.00 C ATOM 351 OG SER A 21 -9.311 -14.326 5.265 1.00 0.00 O ATOM 0 H SER A 21 -8.415 -14.916 3.187 1.00 0.00 H new ATOM 0 HA SER A 21 -10.632 -13.207 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.026 -13.228 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.003 -14.822 4.186 1.00 0.00 H new ATOM 0 HG SER A 21 -9.668 -14.708 6.094 1.00 0.00 H new ATOM 357 N ASN A 22 -7.882 -12.010 3.697 1.00 0.00 N ATOM 358 CA ASN A 22 -7.183 -10.767 3.969 1.00 0.00 C ATOM 359 C ASN A 22 -7.208 -9.913 2.715 1.00 0.00 C ATOM 360 O ASN A 22 -7.021 -10.420 1.609 1.00 0.00 O ATOM 361 CB ASN A 22 -5.739 -11.043 4.383 1.00 0.00 C ATOM 362 CG ASN A 22 -5.704 -11.673 5.771 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.888 -12.556 6.033 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.545 -11.268 6.683 1.00 0.00 N ATOM 0 H ASN A 22 -7.302 -12.848 3.737 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.677 -10.244 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.266 -11.709 3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.168 -10.114 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.526 -11.683 7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.221 -10.536 6.464 1.00 0.00 H new ATOM 371 N THR A 23 -7.464 -8.624 2.881 1.00 0.00 N ATOM 372 CA THR A 23 -7.542 -7.729 1.734 1.00 0.00 C ATOM 373 C THR A 23 -6.468 -6.656 1.775 1.00 0.00 C ATOM 374 O THR A 23 -5.856 -6.394 2.810 1.00 0.00 O ATOM 375 CB THR A 23 -8.928 -7.077 1.672 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.801 -5.720 1.274 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.585 -7.150 3.047 1.00 0.00 C ATOM 0 H THR A 23 -7.619 -8.178 3.785 1.00 0.00 H new ATOM 0 HA THR A 23 -7.376 -8.328 0.839 1.00 0.00 H new ATOM 0 HB THR A 23 -9.546 -7.606 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.993 -5.641 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.571 -6.687 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.687 -8.193 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.967 -6.622 3.774 1.00 0.00 H new ATOM 385 N ILE A 24 -6.255 -6.044 0.617 1.00 0.00 N ATOM 386 CA ILE A 24 -5.270 -4.997 0.457 1.00 0.00 C ATOM 387 C ILE A 24 -5.167 -4.132 1.702 1.00 0.00 C ATOM 388 O ILE A 24 -4.074 -3.765 2.115 1.00 0.00 O ATOM 389 CB ILE A 24 -5.671 -4.139 -0.744 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.939 -5.026 -1.972 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.565 -3.143 -1.060 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.927 -6.170 -2.039 1.00 0.00 C ATOM 0 H ILE A 24 -6.766 -6.265 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.292 -5.451 0.295 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.584 -3.598 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.950 -5.430 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.880 -4.427 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.857 -2.535 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.398 -2.498 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.646 -3.681 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.132 -6.787 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.919 -5.761 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.007 -6.779 -1.139 1.00 0.00 H new ATOM 404 N LEU A 25 -6.296 -3.814 2.303 1.00 0.00 N ATOM 405 CA LEU A 25 -6.283 -3.002 3.505 1.00 0.00 C ATOM 406 C LEU A 25 -5.291 -3.590 4.499 1.00 0.00 C ATOM 407 O LEU A 25 -4.485 -2.876 5.094 1.00 0.00 O ATOM 408 CB LEU A 25 -7.691 -2.978 4.109 1.00 0.00 C ATOM 409 CG LEU A 25 -7.710 -2.226 5.448 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.084 -3.077 6.567 1.00 0.00 C ATOM 411 CD2 LEU A 25 -6.954 -0.895 5.320 1.00 0.00 C ATOM 0 H LEU A 25 -7.222 -4.100 1.985 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.980 -1.983 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.380 -2.501 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.043 -3.999 4.258 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.749 -2.025 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.110 -2.521 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.648 -4.003 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.050 -3.310 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.975 -0.371 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.920 -1.090 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.430 -0.278 4.558 1.00 0.00 H new ATOM 423 N GLU A 26 -5.370 -4.903 4.675 1.00 0.00 N ATOM 424 CA GLU A 26 -4.494 -5.601 5.608 1.00 0.00 C ATOM 425 C GLU A 26 -3.066 -5.732 5.078 1.00 0.00 C ATOM 426 O GLU A 26 -2.113 -5.523 5.829 1.00 0.00 O ATOM 427 CB GLU A 26 -5.055 -6.990 5.913 1.00 0.00 C ATOM 428 CG GLU A 26 -6.401 -6.851 6.628 1.00 0.00 C ATOM 429 CD GLU A 26 -6.868 -8.215 7.129 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.103 -8.862 7.825 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.983 -8.591 6.809 1.00 0.00 O ATOM 0 H GLU A 26 -6.031 -5.506 4.185 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.455 -5.004 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.179 -7.555 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.356 -7.547 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.308 -6.159 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.142 -6.431 5.948 1.00 0.00 H new ATOM 438 N THR A 27 -2.898 -6.070 3.800 1.00 0.00 N ATOM 439 CA THR A 27 -1.553 -6.198 3.264 1.00 0.00 C ATOM 440 C THR A 27 -0.862 -4.844 3.380 1.00 0.00 C ATOM 441 O THR A 27 0.300 -4.749 3.771 1.00 0.00 O ATOM 442 CB THR A 27 -1.608 -6.698 1.809 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.822 -7.875 1.692 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.073 -5.638 0.848 1.00 0.00 C ATOM 0 H THR A 27 -3.652 -6.254 3.139 1.00 0.00 H new ATOM 0 HA THR A 27 -0.980 -6.933 3.829 1.00 0.00 H new ATOM 0 HB THR A 27 -2.646 -6.908 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.224 -7.794 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.122 -6.015 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.676 -4.734 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.038 -5.407 1.100 1.00 0.00 H new ATOM 452 N LYS A 28 -1.616 -3.800 3.059 1.00 0.00 N ATOM 453 CA LYS A 28 -1.114 -2.436 3.149 1.00 0.00 C ATOM 454 C LYS A 28 -0.745 -2.094 4.588 1.00 0.00 C ATOM 455 O LYS A 28 0.275 -1.455 4.835 1.00 0.00 O ATOM 456 CB LYS A 28 -2.186 -1.459 2.670 1.00 0.00 C ATOM 457 CG LYS A 28 -2.255 -1.470 1.143 1.00 0.00 C ATOM 458 CD LYS A 28 -2.854 -0.150 0.662 1.00 0.00 C ATOM 459 CE LYS A 28 -3.113 -0.203 -0.849 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.310 0.855 -1.526 1.00 0.00 N ATOM 0 H LYS A 28 -2.580 -3.873 2.733 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.226 -2.356 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.154 -1.734 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.959 -0.454 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.259 -1.607 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.864 -2.307 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.786 0.049 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.175 0.671 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.846 -1.184 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.174 -0.056 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.535 0.865 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.537 1.781 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.297 0.657 -1.398 1.00 0.00 H new ATOM 474 N THR A 29 -1.585 -2.514 5.538 1.00 0.00 N ATOM 475 CA THR A 29 -1.333 -2.229 6.942 1.00 0.00 C ATOM 476 C THR A 29 -0.020 -2.857 7.392 1.00 0.00 C ATOM 477 O THR A 29 0.889 -2.160 7.841 1.00 0.00 O ATOM 478 CB THR A 29 -2.494 -2.763 7.784 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.564 -1.828 7.757 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.040 -2.975 9.225 1.00 0.00 C ATOM 0 H THR A 29 -2.436 -3.047 5.357 1.00 0.00 H new ATOM 0 HA THR A 29 -1.254 -1.150 7.077 1.00 0.00 H new ATOM 0 HB THR A 29 -2.827 -3.716 7.372 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.080 -1.945 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.873 -3.355 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.221 -3.694 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.701 -2.027 9.643 1.00 0.00 H new ATOM 488 N LYS A 30 0.076 -4.173 7.269 1.00 0.00 N ATOM 489 CA LYS A 30 1.285 -4.867 7.667 1.00 0.00 C ATOM 490 C LYS A 30 2.468 -4.375 6.840 1.00 0.00 C ATOM 491 O LYS A 30 3.458 -3.890 7.387 1.00 0.00 O ATOM 492 CB LYS A 30 1.102 -6.370 7.470 1.00 0.00 C ATOM 493 CG LYS A 30 2.321 -7.115 8.025 1.00 0.00 C ATOM 494 CD LYS A 30 2.538 -8.402 7.232 1.00 0.00 C ATOM 495 CE LYS A 30 1.456 -9.420 7.598 1.00 0.00 C ATOM 496 NZ LYS A 30 1.574 -10.612 6.710 1.00 0.00 N ATOM 0 H LYS A 30 -0.662 -4.773 6.901 1.00 0.00 H new ATOM 0 HA LYS A 30 1.483 -4.663 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.197 -6.706 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.977 -6.595 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.207 -6.483 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.170 -7.346 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.507 -8.192 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.525 -8.812 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.561 -9.719 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.468 -8.971 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.661 -11.108 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.843 -10.307 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.301 -11.254 7.086 1.00 0.00 H new ATOM 510 N LEU A 31 2.357 -4.501 5.522 1.00 0.00 N ATOM 511 CA LEU A 31 3.420 -4.063 4.633 1.00 0.00 C ATOM 512 C LEU A 31 3.945 -2.700 5.070 1.00 0.00 C ATOM 513 O LEU A 31 5.089 -2.344 4.788 1.00 0.00 O ATOM 514 CB LEU A 31 2.887 -3.990 3.198 1.00 0.00 C ATOM 515 CG LEU A 31 3.986 -3.507 2.246 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.223 -4.400 2.381 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.463 -3.574 0.809 1.00 0.00 C ATOM 0 H LEU A 31 1.546 -4.901 5.050 1.00 0.00 H new ATOM 0 HA LEU A 31 4.241 -4.778 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.531 -4.971 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.034 -3.312 3.154 1.00 0.00 H new ATOM 0 HG LEU A 31 4.260 -2.482 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.000 -4.050 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.592 -4.358 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.959 -5.428 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.238 -3.232 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.193 -4.602 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.585 -2.936 0.711 1.00 0.00 H new ATOM 529 N ALA A 32 3.105 -1.952 5.778 1.00 0.00 N ATOM 530 CA ALA A 32 3.502 -0.637 6.272 1.00 0.00 C ATOM 531 C ALA A 32 4.323 -0.799 7.545 1.00 0.00 C ATOM 532 O ALA A 32 5.351 -0.149 7.728 1.00 0.00 O ATOM 533 CB ALA A 32 2.265 0.229 6.559 1.00 0.00 C ATOM 0 H ALA A 32 2.154 -2.230 6.021 1.00 0.00 H new ATOM 0 HA ALA A 32 4.102 -0.142 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.582 1.205 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.689 0.356 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.646 -0.259 7.312 1.00 0.00 H new ATOM 539 N GLN A 33 3.852 -1.681 8.417 1.00 0.00 N ATOM 540 CA GLN A 33 4.534 -1.945 9.678 1.00 0.00 C ATOM 541 C GLN A 33 5.770 -2.804 9.443 1.00 0.00 C ATOM 542 O GLN A 33 6.638 -2.915 10.308 1.00 0.00 O ATOM 543 CB GLN A 33 3.589 -2.655 10.649 1.00 0.00 C ATOM 544 CG GLN A 33 2.389 -1.753 10.947 1.00 0.00 C ATOM 545 CD GLN A 33 2.800 -0.632 11.896 1.00 0.00 C ATOM 546 OE1 GLN A 33 3.428 0.339 11.474 1.00 0.00 O ATOM 547 NE2 GLN A 33 2.483 -0.709 13.159 1.00 0.00 N ATOM 0 H GLN A 33 3.001 -2.225 8.275 1.00 0.00 H new ATOM 0 HA GLN A 33 4.842 -0.993 10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.251 -3.598 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.114 -2.896 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.002 -1.331 10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.585 -2.339 11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.963 -1.515 13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.756 0.037 13.800 1.00 0.00 H new ATOM 556 N SER A 34 5.840 -3.405 8.261 1.00 0.00 N ATOM 557 CA SER A 34 6.972 -4.249 7.909 1.00 0.00 C ATOM 558 C SER A 34 8.185 -3.376 7.649 1.00 0.00 C ATOM 559 O SER A 34 9.255 -3.585 8.221 1.00 0.00 O ATOM 560 CB SER A 34 6.651 -5.072 6.661 1.00 0.00 C ATOM 561 OG SER A 34 7.604 -6.117 6.529 1.00 0.00 O ATOM 0 H SER A 34 5.129 -3.323 7.534 1.00 0.00 H new ATOM 0 HA SER A 34 7.180 -4.931 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.646 -5.488 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.668 -4.435 5.777 1.00 0.00 H new ATOM 0 HG SER A 34 7.400 -6.647 5.731 1.00 0.00 H new ATOM 567 N ILE A 35 7.998 -2.376 6.798 1.00 0.00 N ATOM 568 CA ILE A 35 9.061 -1.448 6.481 1.00 0.00 C ATOM 569 C ILE A 35 8.969 -0.252 7.415 1.00 0.00 C ATOM 570 O ILE A 35 9.889 0.561 7.499 1.00 0.00 O ATOM 571 CB ILE A 35 8.945 -1.005 5.024 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.649 -0.214 4.820 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.931 -2.238 4.121 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.448 0.075 3.325 1.00 0.00 C ATOM 0 H ILE A 35 7.117 -2.191 6.318 1.00 0.00 H new ATOM 0 HA ILE A 35 10.029 -1.931 6.615 1.00 0.00 H new ATOM 0 HB ILE A 35 9.796 -0.371 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.802 -0.779 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.691 0.721 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.848 -1.926 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.854 -2.800 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.080 -2.869 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.525 0.638 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.289 0.658 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.387 -0.866 2.778 1.00 0.00 H new ATOM 586 N SER A 36 7.845 -0.167 8.135 1.00 0.00 N ATOM 587 CA SER A 36 7.632 0.920 9.092 1.00 0.00 C ATOM 588 C SER A 36 7.092 2.170 8.404 1.00 0.00 C ATOM 589 O SER A 36 7.309 3.287 8.875 1.00 0.00 O ATOM 590 CB SER A 36 8.941 1.253 9.814 1.00 0.00 C ATOM 591 OG SER A 36 8.647 1.715 11.126 1.00 0.00 O ATOM 0 H SER A 36 7.075 -0.833 8.073 1.00 0.00 H new ATOM 0 HA SER A 36 6.892 0.583 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.579 0.371 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.491 2.015 9.262 1.00 0.00 H new ATOM 0 HG SER A 36 9.482 1.928 11.593 1.00 0.00 H new ATOM 597 N CYS A 37 6.374 1.979 7.303 1.00 0.00 N ATOM 598 CA CYS A 37 5.793 3.105 6.575 1.00 0.00 C ATOM 599 C CYS A 37 4.292 3.151 6.817 1.00 0.00 C ATOM 600 O CYS A 37 3.758 2.340 7.572 1.00 0.00 O ATOM 601 CB CYS A 37 6.062 2.963 5.077 1.00 0.00 C ATOM 602 SG CYS A 37 7.809 3.301 4.741 1.00 0.00 S ATOM 0 H CYS A 37 6.180 1.064 6.896 1.00 0.00 H new ATOM 0 HA CYS A 37 6.251 4.028 6.932 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.805 1.957 4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.433 3.655 4.517 1.00 0.00 H new ATOM 0 HG CYS A 37 8.038 3.178 3.467 1.00 0.00 H new ATOM 608 N GLU A 38 3.612 4.094 6.175 1.00 0.00 N ATOM 609 CA GLU A 38 2.168 4.212 6.337 1.00 0.00 C ATOM 610 C GLU A 38 1.450 3.621 5.126 1.00 0.00 C ATOM 611 O GLU A 38 1.937 3.698 3.998 1.00 0.00 O ATOM 612 CB GLU A 38 1.772 5.683 6.533 1.00 0.00 C ATOM 613 CG GLU A 38 1.348 6.299 5.200 1.00 0.00 C ATOM 614 CD GLU A 38 1.266 7.816 5.328 1.00 0.00 C ATOM 615 OE1 GLU A 38 2.002 8.364 6.133 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.469 8.409 4.621 1.00 0.00 O ATOM 0 H GLU A 38 4.030 4.779 5.546 1.00 0.00 H new ATOM 0 HA GLU A 38 1.868 3.653 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.955 5.754 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.611 6.241 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.063 6.030 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.381 5.899 4.897 1.00 0.00 H new ATOM 623 N GLU A 39 0.292 3.034 5.379 1.00 0.00 N ATOM 624 CA GLU A 39 -0.507 2.423 4.323 1.00 0.00 C ATOM 625 C GLU A 39 -1.249 3.493 3.527 1.00 0.00 C ATOM 626 O GLU A 39 -1.698 3.255 2.407 1.00 0.00 O ATOM 627 CB GLU A 39 -1.512 1.437 4.935 1.00 0.00 C ATOM 628 CG GLU A 39 -1.942 1.921 6.325 1.00 0.00 C ATOM 629 CD GLU A 39 -0.993 1.388 7.396 1.00 0.00 C ATOM 630 OE1 GLU A 39 0.200 1.598 7.261 1.00 0.00 O ATOM 631 OE2 GLU A 39 -1.477 0.782 8.337 1.00 0.00 O ATOM 0 H GLU A 39 -0.119 2.966 6.310 1.00 0.00 H new ATOM 0 HA GLU A 39 0.159 1.886 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.384 1.345 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.063 0.446 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.952 3.011 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.959 1.588 6.534 1.00 0.00 H new ATOM 638 N SER A 40 -1.395 4.663 4.136 1.00 0.00 N ATOM 639 CA SER A 40 -2.111 5.771 3.506 1.00 0.00 C ATOM 640 C SER A 40 -1.293 6.444 2.404 1.00 0.00 C ATOM 641 O SER A 40 -1.792 7.338 1.722 1.00 0.00 O ATOM 642 CB SER A 40 -2.486 6.810 4.564 1.00 0.00 C ATOM 643 OG SER A 40 -3.329 6.206 5.536 1.00 0.00 O ATOM 0 H SER A 40 -1.028 4.872 5.065 1.00 0.00 H new ATOM 0 HA SER A 40 -3.007 5.355 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.587 7.203 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.995 7.654 4.098 1.00 0.00 H new ATOM 0 HG SER A 40 -3.570 6.868 6.217 1.00 0.00 H new ATOM 649 N GLN A 41 -0.046 6.017 2.222 1.00 0.00 N ATOM 650 CA GLN A 41 0.804 6.600 1.183 1.00 0.00 C ATOM 651 C GLN A 41 1.222 5.517 0.201 1.00 0.00 C ATOM 652 O GLN A 41 1.459 5.775 -0.978 1.00 0.00 O ATOM 653 CB GLN A 41 2.040 7.246 1.817 1.00 0.00 C ATOM 654 CG GLN A 41 3.135 6.197 1.978 1.00 0.00 C ATOM 655 CD GLN A 41 4.193 6.683 2.961 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.923 5.877 3.538 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.320 7.960 3.188 1.00 0.00 N ATOM 0 H GLN A 41 0.395 5.280 2.771 1.00 0.00 H new ATOM 0 HA GLN A 41 0.245 7.369 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.396 8.066 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.784 7.672 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.702 5.261 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.595 5.990 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.714 8.626 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.025 8.294 3.845 1.00 0.00 H new ATOM 666 N ILE A 42 1.309 4.305 0.719 1.00 0.00 N ATOM 667 CA ILE A 42 1.696 3.156 -0.063 1.00 0.00 C ATOM 668 C ILE A 42 0.688 2.879 -1.174 1.00 0.00 C ATOM 669 O ILE A 42 -0.507 3.139 -1.033 1.00 0.00 O ATOM 670 CB ILE A 42 1.801 1.960 0.893 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.267 1.637 1.157 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.103 0.731 0.321 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.364 0.748 2.392 1.00 0.00 C ATOM 0 H ILE A 42 1.112 4.095 1.697 1.00 0.00 H new ATOM 0 HA ILE A 42 2.654 3.339 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 42 1.308 2.230 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.703 1.132 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.834 2.556 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.195 -0.099 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.048 0.954 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.566 0.458 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.410 0.511 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.942 1.271 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.809 -0.175 2.221 1.00 0.00 H new ATOM 685 N LYS A 43 1.194 2.331 -2.270 1.00 0.00 N ATOM 686 CA LYS A 43 0.362 1.986 -3.418 1.00 0.00 C ATOM 687 C LYS A 43 0.676 0.562 -3.862 1.00 0.00 C ATOM 688 O LYS A 43 1.822 0.243 -4.176 1.00 0.00 O ATOM 689 CB LYS A 43 0.623 2.957 -4.572 1.00 0.00 C ATOM 690 CG LYS A 43 0.340 4.395 -4.110 1.00 0.00 C ATOM 691 CD LYS A 43 -0.240 5.205 -5.270 1.00 0.00 C ATOM 692 CE LYS A 43 0.775 5.263 -6.413 1.00 0.00 C ATOM 693 NZ LYS A 43 0.328 6.262 -7.423 1.00 0.00 N ATOM 0 H LYS A 43 2.183 2.114 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.687 2.056 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.656 2.869 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.011 2.706 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.359 4.387 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.259 4.860 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.168 4.750 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.485 6.213 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.758 5.534 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.874 4.281 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.018 6.302 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.601 5.984 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.255 7.198 -6.976 1.00 0.00 H new ATOM 707 N LEU A 44 -0.339 -0.295 -3.867 1.00 0.00 N ATOM 708 CA LEU A 44 -0.151 -1.689 -4.255 1.00 0.00 C ATOM 709 C LEU A 44 -0.485 -1.897 -5.727 1.00 0.00 C ATOM 710 O LEU A 44 -1.642 -1.815 -6.134 1.00 0.00 O ATOM 711 CB LEU A 44 -1.040 -2.586 -3.386 1.00 0.00 C ATOM 712 CG LEU A 44 -0.341 -2.891 -2.052 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.804 -3.883 -2.273 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.223 -1.601 -1.446 1.00 0.00 C ATOM 0 H LEU A 44 -1.295 -0.052 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 44 0.896 -1.953 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.995 -2.094 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.257 -3.515 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.072 -3.325 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.293 -4.092 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.408 -4.809 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.528 -3.455 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.716 -1.828 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.944 -1.160 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.589 -0.896 -1.271 1.00 0.00 H new ATOM 726 N ILE A 45 0.552 -2.152 -6.522 1.00 0.00 N ATOM 727 CA ILE A 45 0.385 -2.355 -7.955 1.00 0.00 C ATOM 728 C ILE A 45 0.372 -3.844 -8.289 1.00 0.00 C ATOM 729 O ILE A 45 1.247 -4.594 -7.858 1.00 0.00 O ATOM 730 CB ILE A 45 1.548 -1.705 -8.715 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.676 -0.188 -8.431 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.344 -1.911 -10.216 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.801 0.266 -7.267 1.00 0.00 C ATOM 0 H ILE A 45 1.516 -2.222 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.562 -1.903 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 45 2.466 -2.183 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.717 0.051 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.402 0.370 -9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.168 -1.451 -10.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.314 -2.978 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.404 -1.451 -10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.929 1.337 -7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.244 0.055 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.092 -0.269 -6.363 1.00 0.00 H new ATOM 745 N TYR A 46 -0.612 -4.259 -9.084 1.00 0.00 N ATOM 746 CA TYR A 46 -0.719 -5.653 -9.500 1.00 0.00 C ATOM 747 C TYR A 46 -0.555 -5.725 -11.009 1.00 0.00 C ATOM 748 O TYR A 46 -1.437 -5.308 -11.760 1.00 0.00 O ATOM 749 CB TYR A 46 -2.084 -6.217 -9.098 1.00 0.00 C ATOM 750 CG TYR A 46 -2.137 -7.708 -9.362 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.306 -8.585 -8.648 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.033 -8.215 -10.313 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.373 -9.963 -8.887 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.095 -9.593 -10.552 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.266 -10.466 -9.839 1.00 0.00 C ATOM 756 OH TYR A 46 -2.331 -11.825 -10.074 1.00 0.00 O ATOM 0 H TYR A 46 -1.344 -3.651 -9.451 1.00 0.00 H new ATOM 0 HA TYR A 46 0.058 -6.243 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.269 -6.021 -8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.872 -5.714 -9.658 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.615 -8.197 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.676 -7.542 -10.862 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.735 -10.638 -8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.783 -9.983 -11.287 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.791 -12.264 -9.329 1.00 0.00 H new ATOM 766 N SER A 47 0.583 -6.237 -11.446 1.00 0.00 N ATOM 767 CA SER A 47 0.858 -6.335 -12.869 1.00 0.00 C ATOM 768 C SER A 47 0.643 -4.985 -13.544 1.00 0.00 C ATOM 769 O SER A 47 0.173 -4.917 -14.680 1.00 0.00 O ATOM 770 CB SER A 47 -0.048 -7.384 -13.511 1.00 0.00 C ATOM 771 OG SER A 47 -0.044 -8.559 -12.711 1.00 0.00 O ATOM 0 H SER A 47 1.326 -6.589 -10.842 1.00 0.00 H new ATOM 0 HA SER A 47 1.898 -6.635 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.063 -6.997 -13.605 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.299 -7.614 -14.518 1.00 0.00 H new ATOM 0 HG SER A 47 -0.626 -9.234 -13.119 1.00 0.00 H new ATOM 777 N GLY A 48 0.995 -3.911 -12.840 1.00 0.00 N ATOM 778 CA GLY A 48 0.836 -2.570 -13.389 1.00 0.00 C ATOM 779 C GLY A 48 -0.569 -2.039 -13.134 1.00 0.00 C ATOM 780 O GLY A 48 -1.093 -1.251 -13.921 1.00 0.00 O ATOM 0 H GLY A 48 1.388 -3.943 -11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.569 -1.900 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.034 -2.586 -14.461 1.00 0.00 H new ATOM 784 N LYS A 49 -1.183 -2.481 -12.037 1.00 0.00 N ATOM 785 CA LYS A 49 -2.538 -2.041 -11.706 1.00 0.00 C ATOM 786 C LYS A 49 -2.612 -1.547 -10.266 1.00 0.00 C ATOM 787 O LYS A 49 -2.330 -2.289 -9.332 1.00 0.00 O ATOM 788 CB LYS A 49 -3.513 -3.205 -11.897 1.00 0.00 C ATOM 789 CG LYS A 49 -4.963 -2.694 -11.881 1.00 0.00 C ATOM 790 CD LYS A 49 -5.544 -2.740 -10.460 1.00 0.00 C ATOM 791 CE LYS A 49 -5.558 -4.184 -9.936 1.00 0.00 C ATOM 792 NZ LYS A 49 -5.548 -5.139 -11.081 1.00 0.00 N ATOM 0 H LYS A 49 -0.771 -3.134 -11.371 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.807 -1.218 -12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.308 -3.709 -12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.371 -3.941 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.997 -1.672 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.574 -3.302 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.950 -2.111 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.556 -2.336 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.691 -4.357 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.443 -4.349 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.876 -6.072 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.180 -4.790 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.581 -5.223 -11.455 1.00 0.00 H new ATOM 806 N VAL A 50 -3.013 -0.296 -10.092 1.00 0.00 N ATOM 807 CA VAL A 50 -3.124 0.273 -8.755 1.00 0.00 C ATOM 808 C VAL A 50 -4.277 -0.376 -7.986 1.00 0.00 C ATOM 809 O VAL A 50 -5.418 0.079 -8.059 1.00 0.00 O ATOM 810 CB VAL A 50 -3.344 1.788 -8.843 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.575 2.094 -9.711 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.557 2.353 -7.435 1.00 0.00 C ATOM 0 H VAL A 50 -3.265 0.339 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.195 0.077 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.467 2.250 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.722 3.173 -9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.421 1.697 -10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.457 1.630 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.714 3.430 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.431 1.884 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.678 2.148 -6.824 1.00 0.00 H new ATOM 822 N LEU A 51 -3.972 -1.443 -7.248 1.00 0.00 N ATOM 823 CA LEU A 51 -4.987 -2.144 -6.474 1.00 0.00 C ATOM 824 C LEU A 51 -5.788 -1.169 -5.622 1.00 0.00 C ATOM 825 O LEU A 51 -5.440 0.006 -5.503 1.00 0.00 O ATOM 826 CB LEU A 51 -4.331 -3.179 -5.555 1.00 0.00 C ATOM 827 CG LEU A 51 -3.855 -4.389 -6.369 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.732 -5.105 -5.607 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.022 -5.359 -6.585 1.00 0.00 C ATOM 0 H LEU A 51 -3.034 -1.837 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.656 -2.642 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.487 -2.729 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.041 -3.501 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.484 -4.050 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.392 -5.965 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.900 -4.418 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.106 -5.441 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.680 -6.217 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.396 -5.699 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.821 -4.852 -7.126 1.00 0.00 H new ATOM 841 N GLN A 52 -6.859 -1.678 -5.026 1.00 0.00 N ATOM 842 CA GLN A 52 -7.718 -0.864 -4.168 1.00 0.00 C ATOM 843 C GLN A 52 -7.718 -1.419 -2.745 1.00 0.00 C ATOM 844 O GLN A 52 -7.281 -2.544 -2.503 1.00 0.00 O ATOM 845 CB GLN A 52 -9.153 -0.839 -4.717 1.00 0.00 C ATOM 846 CG GLN A 52 -9.142 -1.191 -6.205 1.00 0.00 C ATOM 847 CD GLN A 52 -8.170 -0.282 -6.950 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.699 -0.630 -8.034 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.837 0.868 -6.432 1.00 0.00 N ATOM 0 H GLN A 52 -7.155 -2.650 -5.119 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.328 0.154 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.774 -1.548 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.592 0.148 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.852 -2.233 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.144 -1.083 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.227 1.155 -5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.186 1.480 -6.924 1.00 0.00 H new ATOM 858 N ASP A 53 -8.203 -0.614 -1.807 1.00 0.00 N ATOM 859 CA ASP A 53 -8.250 -1.015 -0.405 1.00 0.00 C ATOM 860 C ASP A 53 -9.454 -1.907 -0.116 1.00 0.00 C ATOM 861 O ASP A 53 -9.549 -2.506 0.956 1.00 0.00 O ATOM 862 CB ASP A 53 -8.342 0.230 0.471 1.00 0.00 C ATOM 863 CG ASP A 53 -7.130 1.125 0.239 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.404 0.873 -0.709 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.944 2.048 1.015 1.00 0.00 O ATOM 0 H ASP A 53 -8.569 0.320 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.343 -1.578 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.257 0.777 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.396 -0.058 1.521 1.00 0.00 H new ATOM 870 N SER A 54 -10.390 -1.963 -1.056 1.00 0.00 N ATOM 871 CA SER A 54 -11.608 -2.752 -0.866 1.00 0.00 C ATOM 872 C SER A 54 -11.555 -4.107 -1.573 1.00 0.00 C ATOM 873 O SER A 54 -12.585 -4.772 -1.698 1.00 0.00 O ATOM 874 CB SER A 54 -12.811 -1.965 -1.384 1.00 0.00 C ATOM 875 OG SER A 54 -12.763 -1.915 -2.805 1.00 0.00 O ATOM 0 H SER A 54 -10.333 -1.477 -1.951 1.00 0.00 H new ATOM 0 HA SER A 54 -11.699 -2.945 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.737 -2.437 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.804 -0.956 -0.973 1.00 0.00 H new ATOM 0 HG SER A 54 -13.534 -1.412 -3.141 1.00 0.00 H new ATOM 881 N LYS A 55 -10.378 -4.528 -2.038 1.00 0.00 N ATOM 882 CA LYS A 55 -10.275 -5.816 -2.723 1.00 0.00 C ATOM 883 C LYS A 55 -9.584 -6.854 -1.851 1.00 0.00 C ATOM 884 O LYS A 55 -8.727 -6.522 -1.033 1.00 0.00 O ATOM 885 CB LYS A 55 -9.494 -5.668 -4.029 1.00 0.00 C ATOM 886 CG LYS A 55 -10.273 -4.773 -4.997 1.00 0.00 C ATOM 887 CD LYS A 55 -9.744 -4.972 -6.422 1.00 0.00 C ATOM 888 CE LYS A 55 -10.697 -4.306 -7.418 1.00 0.00 C ATOM 889 NZ LYS A 55 -11.343 -3.126 -6.776 1.00 0.00 N ATOM 0 H LYS A 55 -9.503 -4.011 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.290 -6.151 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.512 -5.238 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.328 -6.647 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.335 -5.014 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.172 -3.728 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.746 -4.543 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.655 -6.036 -6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.150 -3.995 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.456 -5.018 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.420 -2.353 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.293 -3.388 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.768 -2.812 -5.969 1.00 0.00 H new ATOM 903 N THR A 56 -9.951 -8.119 -2.048 1.00 0.00 N ATOM 904 CA THR A 56 -9.341 -9.205 -1.290 1.00 0.00 C ATOM 905 C THR A 56 -8.375 -9.998 -2.152 1.00 0.00 C ATOM 906 O THR A 56 -8.595 -10.178 -3.349 1.00 0.00 O ATOM 907 CB THR A 56 -10.403 -10.169 -0.764 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.242 -10.589 -1.830 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.235 -9.476 0.308 1.00 0.00 C ATOM 0 H THR A 56 -10.660 -8.413 -2.719 1.00 0.00 H new ATOM 0 HA THR A 56 -8.806 -8.747 -0.458 1.00 0.00 H new ATOM 0 HB THR A 56 -9.915 -11.042 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.920 -11.208 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.992 -10.165 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.587 -9.168 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.721 -8.599 -0.119 1.00 0.00 H new ATOM 917 N VAL A 57 -7.283 -10.433 -1.545 1.00 0.00 N ATOM 918 CA VAL A 57 -6.258 -11.167 -2.284 1.00 0.00 C ATOM 919 C VAL A 57 -6.909 -12.171 -3.222 1.00 0.00 C ATOM 920 O VAL A 57 -6.370 -12.492 -4.281 1.00 0.00 O ATOM 921 CB VAL A 57 -5.320 -11.892 -1.305 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.844 -13.223 -1.905 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.103 -11.007 -1.015 1.00 0.00 C ATOM 0 H VAL A 57 -7.081 -10.295 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.675 -10.460 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.864 -12.093 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.181 -13.724 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.705 -13.859 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.307 -13.032 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.437 -11.520 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.571 -10.803 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.434 -10.067 -0.573 1.00 0.00 H new ATOM 933 N SER A 58 -8.069 -12.662 -2.824 1.00 0.00 N ATOM 934 CA SER A 58 -8.785 -13.629 -3.633 1.00 0.00 C ATOM 935 C SER A 58 -9.311 -12.970 -4.900 1.00 0.00 C ATOM 936 O SER A 58 -9.248 -13.550 -5.984 1.00 0.00 O ATOM 937 CB SER A 58 -9.942 -14.218 -2.830 1.00 0.00 C ATOM 938 OG SER A 58 -10.518 -15.297 -3.556 1.00 0.00 O ATOM 0 H SER A 58 -8.532 -12.409 -1.951 1.00 0.00 H new ATOM 0 HA SER A 58 -8.101 -14.430 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.586 -14.566 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.693 -13.452 -2.638 1.00 0.00 H new ATOM 0 HG SER A 58 -11.260 -15.678 -3.042 1.00 0.00 H new ATOM 944 N GLU A 59 -9.827 -11.753 -4.760 1.00 0.00 N ATOM 945 CA GLU A 59 -10.357 -11.028 -5.903 1.00 0.00 C ATOM 946 C GLU A 59 -9.247 -10.255 -6.617 1.00 0.00 C ATOM 947 O GLU A 59 -9.317 -10.032 -7.826 1.00 0.00 O ATOM 948 CB GLU A 59 -11.486 -10.096 -5.444 1.00 0.00 C ATOM 949 CG GLU A 59 -10.955 -8.698 -5.138 1.00 0.00 C ATOM 950 CD GLU A 59 -12.087 -7.843 -4.585 1.00 0.00 C ATOM 951 OE1 GLU A 59 -12.484 -8.078 -3.456 1.00 0.00 O ATOM 952 OE2 GLU A 59 -12.545 -6.968 -5.301 1.00 0.00 O ATOM 0 H GLU A 59 -9.888 -11.254 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.768 -11.739 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.250 -10.036 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.964 -10.509 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.140 -8.755 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.549 -8.244 -6.042 1.00 0.00 H new ATOM 959 N CYS A 60 -8.221 -9.850 -5.868 1.00 0.00 N ATOM 960 CA CYS A 60 -7.112 -9.111 -6.455 1.00 0.00 C ATOM 961 C CYS A 60 -6.389 -9.975 -7.483 1.00 0.00 C ATOM 962 O CYS A 60 -5.787 -9.462 -8.426 1.00 0.00 O ATOM 963 CB CYS A 60 -6.133 -8.688 -5.360 1.00 0.00 C ATOM 964 SG CYS A 60 -7.051 -7.947 -3.988 1.00 0.00 S ATOM 0 H CYS A 60 -8.138 -10.020 -4.866 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.505 -8.223 -6.951 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.567 -9.551 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.412 -7.974 -5.757 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.204 -8.536 -3.869 1.00 0.00 H new ATOM 970 N GLY A 61 -6.463 -11.290 -7.297 1.00 0.00 N ATOM 971 CA GLY A 61 -5.822 -12.222 -8.218 1.00 0.00 C ATOM 972 C GLY A 61 -4.541 -12.791 -7.623 1.00 0.00 C ATOM 973 O GLY A 61 -3.866 -13.608 -8.251 1.00 0.00 O ATOM 0 H GLY A 61 -6.957 -11.732 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.509 -13.035 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.596 -11.714 -9.155 1.00 0.00 H new ATOM 977 N LEU A 62 -4.202 -12.357 -6.414 1.00 0.00 N ATOM 978 CA LEU A 62 -2.996 -12.833 -5.761 1.00 0.00 C ATOM 979 C LEU A 62 -3.172 -14.260 -5.271 1.00 0.00 C ATOM 980 O LEU A 62 -4.225 -14.629 -4.751 1.00 0.00 O ATOM 981 CB LEU A 62 -2.652 -11.929 -4.579 1.00 0.00 C ATOM 982 CG LEU A 62 -2.129 -10.595 -5.096 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.345 -9.514 -4.036 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.637 -10.714 -5.413 1.00 0.00 C ATOM 0 H LEU A 62 -4.742 -11.682 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.185 -12.811 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.535 -11.770 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.902 -12.406 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.668 -10.324 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.970 -8.560 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.409 -9.426 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.810 -9.785 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.266 -9.758 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.094 -10.989 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.487 -11.480 -6.174 1.00 0.00 H new ATOM 996 N LYS A 63 -2.123 -15.051 -5.436 1.00 0.00 N ATOM 997 CA LYS A 63 -2.144 -16.442 -5.005 1.00 0.00 C ATOM 998 C LYS A 63 -0.961 -16.725 -4.085 1.00 0.00 C ATOM 999 O LYS A 63 -0.353 -15.803 -3.543 1.00 0.00 O ATOM 1000 CB LYS A 63 -2.122 -17.370 -6.225 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.909 -17.058 -7.109 1.00 0.00 C ATOM 1002 CD LYS A 63 0.350 -17.703 -6.516 1.00 0.00 C ATOM 1003 CE LYS A 63 1.331 -18.069 -7.636 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.041 -19.450 -8.116 1.00 0.00 N ATOM 0 H LYS A 63 -1.246 -14.755 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.062 -16.629 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.085 -18.409 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.040 -17.248 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.078 -17.432 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.773 -15.979 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.825 -17.016 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.080 -18.596 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.242 -17.360 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.356 -18.007 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.706 -19.700 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.147 -20.121 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.067 -19.494 -8.479 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.647 -17.999 -3.900 1.00 0.00 N ATOM 1019 CA ASP A 64 0.457 -18.386 -3.027 1.00 0.00 C ATOM 1020 C ASP A 64 1.800 -18.251 -3.734 1.00 0.00 C ATOM 1021 O ASP A 64 2.018 -18.820 -4.804 1.00 0.00 O ATOM 1022 CB ASP A 64 0.263 -19.828 -2.551 1.00 0.00 C ATOM 1023 CG ASP A 64 -1.224 -20.133 -2.403 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -1.863 -20.368 -3.416 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -1.701 -20.127 -1.281 1.00 0.00 O ATOM 0 H ASP A 64 -1.136 -18.779 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 64 0.459 -17.714 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.715 -20.519 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.770 -19.976 -1.597 1.00 0.00 H new ATOM 1030 N GLY A 65 2.703 -17.509 -3.107 1.00 0.00 N ATOM 1031 CA GLY A 65 4.041 -17.313 -3.659 1.00 0.00 C ATOM 1032 C GLY A 65 4.064 -16.271 -4.780 1.00 0.00 C ATOM 1033 O GLY A 65 5.099 -16.068 -5.415 1.00 0.00 O ATOM 0 H GLY A 65 2.537 -17.034 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.717 -17.001 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.416 -18.262 -4.042 1.00 0.00 H new ATOM 1037 N ASP A 66 2.934 -15.613 -5.031 1.00 0.00 N ATOM 1038 CA ASP A 66 2.882 -14.607 -6.091 1.00 0.00 C ATOM 1039 C ASP A 66 3.811 -13.437 -5.763 1.00 0.00 C ATOM 1040 O ASP A 66 4.580 -13.489 -4.802 1.00 0.00 O ATOM 1041 CB ASP A 66 1.441 -14.097 -6.276 1.00 0.00 C ATOM 1042 CG ASP A 66 1.029 -14.170 -7.746 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.439 -15.103 -8.414 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.308 -13.287 -8.181 1.00 0.00 O ATOM 0 H ASP A 66 2.058 -15.753 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 66 3.214 -15.070 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.758 -14.694 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.365 -13.069 -5.922 1.00 0.00 H new ATOM 1049 N GLN A 67 3.731 -12.383 -6.569 1.00 0.00 N ATOM 1050 CA GLN A 67 4.565 -11.204 -6.362 1.00 0.00 C ATOM 1051 C GLN A 67 3.776 -9.945 -6.692 1.00 0.00 C ATOM 1052 O GLN A 67 2.997 -9.926 -7.644 1.00 0.00 O ATOM 1053 CB GLN A 67 5.809 -11.279 -7.251 1.00 0.00 C ATOM 1054 CG GLN A 67 6.408 -12.685 -7.172 1.00 0.00 C ATOM 1055 CD GLN A 67 7.693 -12.749 -7.990 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.582 -13.546 -7.690 1.00 0.00 O ATOM 1057 NE2 GLN A 67 7.846 -11.953 -9.013 1.00 0.00 N ATOM 0 H GLN A 67 3.100 -12.321 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 67 4.874 -11.171 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.547 -11.041 -8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.544 -10.540 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.615 -12.944 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.692 -13.416 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.109 -11.293 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.703 -11.991 -9.565 1.00 0.00 H new ATOM 1066 N VAL A 68 3.969 -8.898 -5.894 1.00 0.00 N ATOM 1067 CA VAL A 68 3.252 -7.648 -6.112 1.00 0.00 C ATOM 1068 C VAL A 68 4.217 -6.474 -6.188 1.00 0.00 C ATOM 1069 O VAL A 68 5.177 -6.392 -5.425 1.00 0.00 O ATOM 1070 CB VAL A 68 2.267 -7.412 -4.958 1.00 0.00 C ATOM 1071 CG1 VAL A 68 1.047 -6.635 -5.461 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.820 -8.760 -4.381 1.00 0.00 C ATOM 0 H VAL A 68 4.609 -8.891 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 68 2.714 -7.723 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 68 2.761 -6.831 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.354 -6.472 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.368 -5.673 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.550 -7.206 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.121 -8.591 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.332 -9.345 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.689 -9.303 -4.010 1.00 0.00 H new ATOM 1082 N VAL A 69 3.931 -5.548 -7.092 1.00 0.00 N ATOM 1083 CA VAL A 69 4.756 -4.359 -7.233 1.00 0.00 C ATOM 1084 C VAL A 69 4.098 -3.233 -6.447 1.00 0.00 C ATOM 1085 O VAL A 69 2.877 -3.114 -6.441 1.00 0.00 O ATOM 1086 CB VAL A 69 4.892 -3.978 -8.711 1.00 0.00 C ATOM 1087 CG1 VAL A 69 6.187 -3.189 -8.926 1.00 0.00 C ATOM 1088 CG2 VAL A 69 4.925 -5.251 -9.561 1.00 0.00 C ATOM 0 H VAL A 69 3.140 -5.597 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 69 5.758 -4.546 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 69 4.042 -3.361 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.279 -2.921 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.166 -2.283 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.039 -3.802 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.022 -4.984 -10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.775 -5.865 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.002 -5.812 -9.413 1.00 0.00 H new ATOM 1098 N PHE A 70 4.897 -2.426 -5.764 1.00 0.00 N ATOM 1099 CA PHE A 70 4.341 -1.338 -4.963 1.00 0.00 C ATOM 1100 C PHE A 70 5.310 -0.163 -4.873 1.00 0.00 C ATOM 1101 O PHE A 70 6.451 -0.249 -5.324 1.00 0.00 O ATOM 1102 CB PHE A 70 4.012 -1.852 -3.555 1.00 0.00 C ATOM 1103 CG PHE A 70 5.240 -1.793 -2.679 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.166 -2.843 -2.695 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.454 -0.687 -1.850 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.303 -2.786 -1.882 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.591 -0.630 -1.036 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.516 -1.680 -1.052 1.00 0.00 C ATOM 0 H PHE A 70 5.914 -2.498 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 70 3.431 -0.987 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.215 -1.251 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.645 -2.877 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.002 -3.697 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.741 0.124 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.017 -3.596 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.755 0.224 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.394 -1.637 -0.424 1.00 0.00 H new ATOM 1118 N MET A 71 4.839 0.933 -4.286 1.00 0.00 N ATOM 1119 CA MET A 71 5.667 2.129 -4.136 1.00 0.00 C ATOM 1120 C MET A 71 5.151 2.999 -2.992 1.00 0.00 C ATOM 1121 O MET A 71 3.944 3.112 -2.783 1.00 0.00 O ATOM 1122 CB MET A 71 5.657 2.941 -5.434 1.00 0.00 C ATOM 1123 CG MET A 71 6.401 2.175 -6.532 1.00 0.00 C ATOM 1124 SD MET A 71 6.778 3.300 -7.898 1.00 0.00 S ATOM 1125 CE MET A 71 5.217 3.102 -8.792 1.00 0.00 C ATOM 0 H MET A 71 3.896 1.020 -3.908 1.00 0.00 H new ATOM 0 HA MET A 71 6.686 1.813 -3.911 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.630 3.134 -5.745 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.128 3.910 -5.271 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.321 1.748 -6.133 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.792 1.344 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.231 3.720 -9.690 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.089 2.057 -9.073 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.390 3.410 -8.152 1.00 0.00 H new ATOM 1135 N VAL A 72 6.074 3.618 -2.257 1.00 0.00 N ATOM 1136 CA VAL A 72 5.699 4.481 -1.139 1.00 0.00 C ATOM 1137 C VAL A 72 5.665 5.941 -1.579 1.00 0.00 C ATOM 1138 O VAL A 72 6.604 6.434 -2.203 1.00 0.00 O ATOM 1139 CB VAL A 72 6.693 4.319 0.013 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.103 4.931 1.287 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.963 2.830 0.244 1.00 0.00 C ATOM 0 H VAL A 72 7.079 3.539 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 72 4.705 4.188 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 72 7.625 4.826 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.811 4.816 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.906 5.991 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.172 4.423 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.671 2.712 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.030 2.326 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.381 2.391 -0.662 1.00 0.00 H new ATOM 1151 N SER A 73 4.573 6.626 -1.252 1.00 0.00 N ATOM 1152 CA SER A 73 4.421 8.031 -1.620 1.00 0.00 C ATOM 1153 C SER A 73 4.810 8.938 -0.456 1.00 0.00 C ATOM 1154 O SER A 73 5.342 8.477 0.554 1.00 0.00 O ATOM 1155 CB SER A 73 2.973 8.310 -2.021 1.00 0.00 C ATOM 1156 OG SER A 73 2.511 7.264 -2.866 1.00 0.00 O ATOM 0 H SER A 73 3.785 6.235 -0.736 1.00 0.00 H new ATOM 0 HA SER A 73 5.080 8.238 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.345 8.381 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.904 9.268 -2.537 1.00 0.00 H new ATOM 0 HG SER A 73 2.141 6.540 -2.318 1.00 0.00 H new