USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.0346 X(o=-0.12,f=0.12) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.15 X(o=-0.12,f=0.12) USER MOD Single : A 1 MET CE :methyl 170:sc= -1.11 (180deg=-1.57) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.937 (180deg=0.516) USER MOD Single : A 7 ASN : amide:sc= 1.17 K(o=1.2,f=-9.5!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.23) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -161:sc= -0.746 (180deg=-2.39!) USER MOD Single : A 16 SER OG : rot -19:sc= 0.143 USER MOD Single : A 17 TYR OH : rot 102:sc= 0.197 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.73 K(o=1.7,f=0) USER MOD Single : A 37 SER OG : rot -53:sc= 1.29 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.1) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.15) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.186 0.912 -3.850 1.00 0.00 N ATOM 2 CA MET A 1 5.412 -0.188 -4.497 1.00 0.00 C ATOM 3 C MET A 1 4.180 0.357 -5.242 1.00 0.00 C ATOM 4 O MET A 1 3.911 1.558 -5.206 1.00 0.00 O ATOM 5 CB MET A 1 5.095 -1.352 -3.521 1.00 0.00 C ATOM 6 CG MET A 1 3.982 -1.093 -2.492 1.00 0.00 C ATOM 7 SD MET A 1 3.771 -2.393 -1.243 1.00 0.00 S ATOM 8 CE MET A 1 3.138 -3.730 -2.281 1.00 0.00 C ATOM 0 H1 MET A 1 7.168 0.605 -3.702 1.00 0.00 H new ATOM 0 H2 MET A 1 6.175 1.752 -4.464 1.00 0.00 H new ATOM 0 H3 MET A 1 5.755 1.147 -2.933 1.00 0.00 H new ATOM 0 HA MET A 1 6.051 -0.636 -5.258 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.820 -2.227 -4.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.008 -1.605 -2.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.191 -0.152 -1.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.039 -0.965 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.121 -4.658 -1.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.127 -3.488 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.783 -3.852 -3.151 1.00 0.00 H new ATOM 20 N GLU A 2 3.446 -0.507 -5.954 1.00 0.00 N ATOM 21 CA GLU A 2 2.481 -0.120 -6.986 1.00 0.00 C ATOM 22 C GLU A 2 1.243 -1.002 -6.814 1.00 0.00 C ATOM 23 O GLU A 2 1.393 -2.209 -6.918 1.00 0.00 O ATOM 24 CB GLU A 2 3.187 -0.360 -8.345 1.00 0.00 C ATOM 25 CG GLU A 2 3.667 0.957 -8.963 1.00 0.00 C ATOM 26 CD GLU A 2 4.386 0.734 -10.307 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.701 0.551 -11.343 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.640 0.780 -10.338 1.00 0.00 O ATOM 0 H GLU A 2 3.509 -1.517 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 2 2.162 0.921 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.036 -1.028 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.501 -0.857 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.814 1.619 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.342 1.459 -8.269 1.00 0.00 H new ATOM 35 N ILE A 3 0.054 -0.460 -6.513 1.00 0.00 N ATOM 36 CA ILE A 3 -1.183 -1.228 -6.279 1.00 0.00 C ATOM 37 C ILE A 3 -2.165 -0.919 -7.423 1.00 0.00 C ATOM 38 O ILE A 3 -2.152 0.181 -7.985 1.00 0.00 O ATOM 39 CB ILE A 3 -1.773 -0.879 -4.875 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.063 -1.581 -3.693 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.265 -1.242 -4.712 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.413 -1.253 -3.477 1.00 0.00 C ATOM 0 H ILE A 3 -0.080 0.547 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.982 -2.299 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.620 0.200 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.602 -1.334 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.153 -2.658 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.599 -0.969 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.854 -0.700 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.397 -2.314 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.788 -1.811 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.981 -1.529 -4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.525 -0.185 -3.293 1.00 0.00 H new ATOM 54 N GLU A 4 -3.065 -1.861 -7.726 1.00 0.00 N ATOM 55 CA GLU A 4 -4.171 -1.727 -8.653 1.00 0.00 C ATOM 56 C GLU A 4 -5.422 -2.366 -8.042 1.00 0.00 C ATOM 57 O GLU A 4 -5.335 -3.368 -7.324 1.00 0.00 O ATOM 58 CB GLU A 4 -3.792 -2.454 -9.939 1.00 0.00 C ATOM 59 CG GLU A 4 -4.859 -2.366 -11.024 1.00 0.00 C ATOM 60 CD GLU A 4 -5.132 -0.922 -11.484 1.00 0.00 C ATOM 61 OE1 GLU A 4 -5.940 -0.229 -10.817 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.554 -0.480 -12.508 1.00 0.00 O ATOM 0 H GLU A 4 -3.030 -2.787 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.379 -0.677 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.861 -2.037 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.602 -3.503 -9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.547 -2.962 -11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.785 -2.804 -10.652 1.00 0.00 H new ATOM 69 N ARG A 5 -6.597 -1.849 -8.408 1.00 0.00 N ATOM 70 CA ARG A 5 -7.896 -2.413 -8.044 1.00 0.00 C ATOM 71 C ARG A 5 -8.507 -2.981 -9.318 1.00 0.00 C ATOM 72 O ARG A 5 -8.923 -2.230 -10.202 1.00 0.00 O ATOM 73 CB ARG A 5 -8.793 -1.341 -7.390 1.00 0.00 C ATOM 74 CG ARG A 5 -9.065 -1.654 -5.919 1.00 0.00 C ATOM 75 CD ARG A 5 -10.109 -2.757 -5.690 1.00 0.00 C ATOM 76 NE ARG A 5 -10.325 -2.937 -4.250 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.644 -4.060 -3.603 1.00 0.00 C ATOM 78 NH1 ARG A 5 -10.938 -5.189 -4.240 1.00 0.00 N ATOM 79 NH2 ARG A 5 -10.658 -4.027 -2.284 1.00 0.00 N ATOM 0 H ARG A 5 -6.672 -1.007 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.791 -3.205 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.314 -0.366 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.738 -1.278 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.130 -1.951 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.400 -0.744 -5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.047 -2.492 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.770 -3.692 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.218 -2.103 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.925 -5.218 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.177 -6.027 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.430 -3.163 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.897 -4.866 -1.755 1.00 0.00 H new ATOM 93 N ILE A 6 -8.514 -4.310 -9.423 1.00 0.00 N ATOM 94 CA ILE A 6 -9.053 -4.998 -10.592 1.00 0.00 C ATOM 95 C ILE A 6 -10.572 -4.839 -10.578 1.00 0.00 C ATOM 96 O ILE A 6 -11.173 -4.354 -11.538 1.00 0.00 O ATOM 97 CB ILE A 6 -8.635 -6.481 -10.554 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.112 -6.628 -10.370 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.126 -7.249 -11.795 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.263 -5.894 -11.412 1.00 0.00 C ATOM 0 H ILE A 6 -8.148 -4.935 -8.704 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.662 -4.570 -11.515 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.120 -6.930 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.843 -6.261 -9.380 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.858 -7.688 -10.397 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.810 -8.290 -11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.214 -7.203 -11.845 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.702 -6.799 -12.693 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.206 -6.056 -11.200 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.496 -6.276 -12.406 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.481 -4.827 -11.373 1.00 0.00 H new ATOM 112 N ASN A 7 -11.174 -5.241 -9.457 1.00 0.00 N ATOM 113 CA ASN A 7 -12.609 -5.189 -9.197 1.00 0.00 C ATOM 114 C ASN A 7 -12.835 -5.234 -7.681 1.00 0.00 C ATOM 115 O ASN A 7 -11.887 -5.105 -6.905 1.00 0.00 O ATOM 116 CB ASN A 7 -13.345 -6.322 -9.963 1.00 0.00 C ATOM 117 CG ASN A 7 -13.157 -7.742 -9.429 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.498 -7.976 -8.423 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.738 -8.733 -10.079 1.00 0.00 N ATOM 0 H ASN A 7 -10.649 -5.628 -8.673 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.034 -4.257 -9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.411 -6.096 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.015 -6.302 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.638 -9.691 -9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.287 -8.541 -10.917 1.00 0.00 H new ATOM 126 N GLU A 8 -14.081 -5.439 -7.245 1.00 0.00 N ATOM 127 CA GLU A 8 -14.485 -5.438 -5.836 1.00 0.00 C ATOM 128 C GLU A 8 -13.770 -6.515 -4.990 1.00 0.00 C ATOM 129 O GLU A 8 -13.765 -6.422 -3.764 1.00 0.00 O ATOM 130 CB GLU A 8 -16.016 -5.624 -5.794 1.00 0.00 C ATOM 131 CG GLU A 8 -16.694 -5.216 -4.478 1.00 0.00 C ATOM 132 CD GLU A 8 -16.611 -3.696 -4.229 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.503 -2.954 -4.710 1.00 0.00 O ATOM 134 OE2 GLU A 8 -15.666 -3.232 -3.545 1.00 0.00 O ATOM 0 H GLU A 8 -14.859 -5.615 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.191 -4.489 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.458 -5.045 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.243 -6.672 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.740 -5.523 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.223 -5.745 -3.649 1.00 0.00 H new ATOM 141 N HIS A 9 -13.136 -7.518 -5.612 1.00 0.00 N ATOM 142 CA HIS A 9 -12.649 -8.715 -4.925 1.00 0.00 C ATOM 143 C HIS A 9 -11.161 -8.952 -5.184 1.00 0.00 C ATOM 144 O HIS A 9 -10.410 -9.192 -4.239 1.00 0.00 O ATOM 145 CB HIS A 9 -13.487 -9.915 -5.389 1.00 0.00 C ATOM 146 CG HIS A 9 -14.976 -9.768 -5.166 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.966 -9.983 -6.099 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.599 -9.384 -4.005 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.153 -9.741 -5.516 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.984 -9.367 -4.233 1.00 0.00 N ATOM 0 H HIS A 9 -12.947 -7.519 -6.614 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.757 -8.579 -3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.307 -10.078 -6.452 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.141 -10.807 -4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.108 -9.137 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.110 -9.834 -6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.714 -9.122 -3.564 1.00 0.00 H new ATOM 158 N THR A 10 -10.721 -8.861 -6.436 1.00 0.00 N ATOM 159 CA THR A 10 -9.331 -9.046 -6.814 1.00 0.00 C ATOM 160 C THR A 10 -8.617 -7.701 -6.690 1.00 0.00 C ATOM 161 O THR A 10 -9.143 -6.654 -7.086 1.00 0.00 O ATOM 162 CB THR A 10 -9.278 -9.615 -8.246 1.00 0.00 C ATOM 163 OG1 THR A 10 -10.020 -10.828 -8.270 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.862 -9.926 -8.745 1.00 0.00 C ATOM 0 H THR A 10 -11.333 -8.653 -7.225 1.00 0.00 H new ATOM 0 HA THR A 10 -8.824 -9.756 -6.161 1.00 0.00 H new ATOM 0 HB THR A 10 -9.689 -8.847 -8.902 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.000 -11.206 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.912 -10.322 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.266 -9.013 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.399 -10.664 -8.090 1.00 0.00 H new ATOM 172 N VAL A 11 -7.376 -7.739 -6.218 1.00 0.00 N ATOM 173 CA VAL A 11 -6.434 -6.633 -6.322 1.00 0.00 C ATOM 174 C VAL A 11 -5.159 -7.220 -6.920 1.00 0.00 C ATOM 175 O VAL A 11 -4.920 -8.428 -6.814 1.00 0.00 O ATOM 176 CB VAL A 11 -6.219 -5.932 -4.955 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.531 -5.342 -4.419 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.640 -6.840 -3.863 1.00 0.00 C ATOM 0 H VAL A 11 -6.990 -8.555 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.810 -5.838 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.490 -5.151 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.347 -4.858 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.917 -4.609 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.262 -6.140 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.522 -6.271 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.317 -7.676 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.669 -7.219 -4.182 1.00 0.00 H new ATOM 188 N LYS A 12 -4.322 -6.389 -7.534 1.00 0.00 N ATOM 189 CA LYS A 12 -2.957 -6.795 -7.825 1.00 0.00 C ATOM 190 C LYS A 12 -2.025 -5.676 -7.420 1.00 0.00 C ATOM 191 O LYS A 12 -2.466 -4.556 -7.177 1.00 0.00 O ATOM 192 CB LYS A 12 -2.793 -7.262 -9.282 1.00 0.00 C ATOM 193 CG LYS A 12 -2.538 -6.183 -10.329 1.00 0.00 C ATOM 194 CD LYS A 12 -2.349 -6.840 -11.705 1.00 0.00 C ATOM 195 CE LYS A 12 -2.051 -5.736 -12.717 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.460 -6.261 -13.975 1.00 0.00 N ATOM 0 H LYS A 12 -4.563 -5.445 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.692 -7.674 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.967 -7.972 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.694 -7.805 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.375 -5.485 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.652 -5.607 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.531 -7.560 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.246 -7.388 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.972 -5.201 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.366 -5.014 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.245 -5.469 -14.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.584 -6.778 -13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.136 -6.904 -14.435 1.00 0.00 H new ATOM 210 N PHE A 13 -0.743 -5.975 -7.358 1.00 0.00 N ATOM 211 CA PHE A 13 0.281 -5.004 -7.063 1.00 0.00 C ATOM 212 C PHE A 13 1.579 -5.450 -7.725 1.00 0.00 C ATOM 213 O PHE A 13 1.691 -6.568 -8.234 1.00 0.00 O ATOM 214 CB PHE A 13 0.407 -4.826 -5.541 1.00 0.00 C ATOM 215 CG PHE A 13 0.811 -6.056 -4.771 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.160 -7.001 -4.393 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.149 -6.222 -4.377 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.205 -8.092 -3.590 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.505 -7.297 -3.551 1.00 0.00 C ATOM 220 CZ PHE A 13 1.528 -8.215 -3.126 1.00 0.00 C ATOM 0 H PHE A 13 -0.382 -6.916 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 13 0.024 -4.025 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.137 -4.041 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.550 -4.476 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.183 -6.887 -4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.902 -5.523 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.530 -8.838 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.532 -7.421 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.792 -9.011 -2.446 1.00 0.00 H new ATOM 230 N TYR A 14 2.569 -4.574 -7.709 1.00 0.00 N ATOM 231 CA TYR A 14 3.881 -4.794 -8.246 1.00 0.00 C ATOM 232 C TYR A 14 4.861 -4.327 -7.176 1.00 0.00 C ATOM 233 O TYR A 14 4.654 -3.292 -6.528 1.00 0.00 O ATOM 234 CB TYR A 14 4.006 -4.065 -9.581 1.00 0.00 C ATOM 235 CG TYR A 14 5.433 -4.017 -10.053 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.998 -5.136 -10.687 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.220 -2.896 -9.753 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.349 -5.139 -11.058 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.587 -2.899 -10.092 1.00 0.00 C ATOM 240 CZ TYR A 14 8.153 -4.007 -10.771 1.00 0.00 C ATOM 241 OH TYR A 14 9.463 -3.971 -11.150 1.00 0.00 O ATOM 0 H TYR A 14 2.464 -3.646 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 14 4.093 -5.839 -8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.391 -4.566 -10.329 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.621 -3.050 -9.480 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.385 -6.002 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.782 -2.037 -9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.774 -5.996 -11.558 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.207 -2.053 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 14 9.860 -3.119 -10.873 1.00 0.00 H new ATOM 251 N MET A 15 5.900 -5.126 -6.962 1.00 0.00 N ATOM 252 CA MET A 15 6.857 -4.973 -5.889 1.00 0.00 C ATOM 253 C MET A 15 8.233 -5.033 -6.528 1.00 0.00 C ATOM 254 O MET A 15 8.618 -6.066 -7.071 1.00 0.00 O ATOM 255 CB MET A 15 6.670 -6.104 -4.875 1.00 0.00 C ATOM 256 CG MET A 15 7.370 -5.775 -3.569 1.00 0.00 C ATOM 257 SD MET A 15 6.478 -4.583 -2.542 1.00 0.00 S ATOM 258 CE MET A 15 6.774 -5.283 -0.901 1.00 0.00 C ATOM 0 H MET A 15 6.101 -5.928 -7.559 1.00 0.00 H new ATOM 0 HA MET A 15 6.727 -4.031 -5.356 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.607 -6.264 -4.693 1.00 0.00 H new ATOM 0 HB3 MET A 15 7.067 -7.034 -5.282 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.511 -6.695 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.362 -5.380 -3.789 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.039 -4.888 -0.199 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.685 -6.368 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.776 -5.015 -0.566 1.00 0.00 H new ATOM 268 N SER A 16 8.974 -3.937 -6.486 1.00 0.00 N ATOM 269 CA SER A 16 10.339 -3.920 -6.987 1.00 0.00 C ATOM 270 C SER A 16 11.216 -4.668 -5.983 1.00 0.00 C ATOM 271 O SER A 16 10.911 -4.690 -4.788 1.00 0.00 O ATOM 272 CB SER A 16 10.810 -2.472 -7.166 1.00 0.00 C ATOM 273 OG SER A 16 9.829 -1.685 -7.830 1.00 0.00 O ATOM 0 H SER A 16 8.652 -3.046 -6.109 1.00 0.00 H new ATOM 0 HA SER A 16 10.403 -4.408 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.029 -2.036 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.738 -2.458 -7.738 1.00 0.00 H new ATOM 0 HG SER A 16 9.206 -2.273 -8.306 1.00 0.00 H new ATOM 279 N TYR A 17 12.343 -5.227 -6.422 1.00 0.00 N ATOM 280 CA TYR A 17 13.299 -5.846 -5.503 1.00 0.00 C ATOM 281 C TYR A 17 13.741 -4.876 -4.419 1.00 0.00 C ATOM 282 O TYR A 17 13.807 -5.248 -3.253 1.00 0.00 O ATOM 283 CB TYR A 17 14.507 -6.399 -6.263 1.00 0.00 C ATOM 284 CG TYR A 17 14.200 -7.461 -7.298 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.111 -8.344 -7.141 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.037 -7.584 -8.421 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.872 -9.342 -8.098 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.799 -8.575 -9.385 1.00 0.00 C ATOM 289 CZ TYR A 17 13.715 -9.471 -9.223 1.00 0.00 C ATOM 290 OH TYR A 17 13.491 -10.476 -10.114 1.00 0.00 O ATOM 0 H TYR A 17 12.616 -5.264 -7.404 1.00 0.00 H new ATOM 0 HA TYR A 17 12.792 -6.678 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.012 -5.570 -6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.209 -6.814 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.461 -8.252 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.871 -6.909 -8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.037 -10.016 -7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.442 -8.654 -10.249 1.00 0.00 H new ATOM 0 HH TYR A 17 13.040 -10.116 -10.906 1.00 0.00 H new ATOM 300 N GLY A 18 13.944 -3.606 -4.767 1.00 0.00 N ATOM 301 CA GLY A 18 14.363 -2.603 -3.806 1.00 0.00 C ATOM 302 C GLY A 18 13.302 -2.310 -2.741 1.00 0.00 C ATOM 303 O GLY A 18 13.660 -1.939 -1.628 1.00 0.00 O ATOM 0 H GLY A 18 13.822 -3.252 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.278 -2.937 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.603 -1.680 -4.334 1.00 0.00 H new ATOM 307 N ASP A 19 12.009 -2.526 -3.023 1.00 0.00 N ATOM 308 CA ASP A 19 10.952 -2.386 -2.009 1.00 0.00 C ATOM 309 C ASP A 19 11.098 -3.486 -0.955 1.00 0.00 C ATOM 310 O ASP A 19 10.852 -3.258 0.231 1.00 0.00 O ATOM 311 CB ASP A 19 9.550 -2.481 -2.644 1.00 0.00 C ATOM 312 CG ASP A 19 8.825 -1.135 -2.711 1.00 0.00 C ATOM 313 OD1 ASP A 19 8.459 -0.585 -1.647 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.548 -0.646 -3.829 1.00 0.00 O ATOM 0 H ASP A 19 11.669 -2.799 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 19 11.059 -1.405 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.641 -2.887 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.945 -3.184 -2.070 1.00 0.00 H new ATOM 319 N ILE A 20 11.481 -4.683 -1.390 1.00 0.00 N ATOM 320 CA ILE A 20 11.651 -5.852 -0.538 1.00 0.00 C ATOM 321 C ILE A 20 12.942 -5.652 0.278 1.00 0.00 C ATOM 322 O ILE A 20 12.937 -5.848 1.495 1.00 0.00 O ATOM 323 CB ILE A 20 11.627 -7.117 -1.441 1.00 0.00 C ATOM 324 CG1 ILE A 20 10.268 -7.229 -2.176 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.875 -8.393 -0.631 1.00 0.00 C ATOM 326 CD1 ILE A 20 10.255 -8.186 -3.374 1.00 0.00 C ATOM 0 H ILE A 20 11.687 -4.870 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 20 10.847 -5.987 0.186 1.00 0.00 H new ATOM 0 HB ILE A 20 12.430 -7.012 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.512 -7.555 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.975 -6.237 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.851 -9.256 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.851 -8.334 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.100 -8.498 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.261 -8.196 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.983 -7.853 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.512 -9.191 -3.040 1.00 0.00 H new ATOM 338 N GLU A 21 14.008 -5.173 -0.368 1.00 0.00 N ATOM 339 CA GLU A 21 15.290 -4.853 0.259 1.00 0.00 C ATOM 340 C GLU A 21 15.139 -3.782 1.340 1.00 0.00 C ATOM 341 O GLU A 21 15.783 -3.859 2.385 1.00 0.00 O ATOM 342 CB GLU A 21 16.256 -4.298 -0.789 1.00 0.00 C ATOM 343 CG GLU A 21 16.715 -5.334 -1.809 1.00 0.00 C ATOM 344 CD GLU A 21 18.028 -6.029 -1.402 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.053 -6.756 -0.380 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.053 -5.852 -2.106 1.00 0.00 O ATOM 0 H GLU A 21 14.001 -4.992 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 21 15.665 -5.775 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.774 -3.473 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.130 -3.887 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.935 -6.085 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.850 -4.850 -2.776 1.00 0.00 H new ATOM 353 N ASP A 22 14.304 -2.770 1.089 1.00 0.00 N ATOM 354 CA ASP A 22 14.095 -1.641 2.003 1.00 0.00 C ATOM 355 C ASP A 22 13.505 -2.108 3.327 1.00 0.00 C ATOM 356 O ASP A 22 13.934 -1.701 4.408 1.00 0.00 O ATOM 357 CB ASP A 22 13.122 -0.634 1.397 1.00 0.00 C ATOM 358 CG ASP A 22 12.930 0.570 2.333 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.864 1.401 2.448 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.840 0.702 2.943 1.00 0.00 O ATOM 0 H ASP A 22 13.747 -2.710 0.236 1.00 0.00 H new ATOM 0 HA ASP A 22 15.069 -1.182 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.498 -0.294 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.161 -1.115 1.214 1.00 0.00 H new ATOM 365 N ARG A 23 12.540 -3.020 3.211 1.00 0.00 N ATOM 366 CA ARG A 23 11.928 -3.708 4.344 1.00 0.00 C ATOM 367 C ARG A 23 12.922 -4.659 5.024 1.00 0.00 C ATOM 368 O ARG A 23 12.636 -5.158 6.115 1.00 0.00 O ATOM 369 CB ARG A 23 10.680 -4.464 3.864 1.00 0.00 C ATOM 370 CG ARG A 23 9.566 -3.552 3.349 1.00 0.00 C ATOM 371 CD ARG A 23 8.588 -4.344 2.468 1.00 0.00 C ATOM 372 NE ARG A 23 7.390 -3.555 2.167 1.00 0.00 N ATOM 373 CZ ARG A 23 7.287 -2.506 1.347 1.00 0.00 C ATOM 374 NH1 ARG A 23 8.319 -2.102 0.613 1.00 0.00 N ATOM 375 NH2 ARG A 23 6.127 -1.875 1.280 1.00 0.00 N ATOM 0 H ARG A 23 12.156 -3.305 2.310 1.00 0.00 H new ATOM 0 HA ARG A 23 11.634 -2.968 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.967 -5.154 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.293 -5.066 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.031 -3.110 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.996 -2.730 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.081 -4.631 1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.302 -5.266 2.975 1.00 0.00 H new ATOM 0 HE ARG A 23 6.533 -3.841 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.210 -2.596 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.220 -1.298 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.340 -2.193 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.019 -1.070 0.662 1.00 0.00 H new ATOM 389 N GLY A 24 14.067 -4.930 4.394 1.00 0.00 N ATOM 390 CA GLY A 24 15.084 -5.847 4.880 1.00 0.00 C ATOM 391 C GLY A 24 14.730 -7.315 4.627 1.00 0.00 C ATOM 392 O GLY A 24 15.382 -8.201 5.187 1.00 0.00 O ATOM 0 H GLY A 24 14.314 -4.500 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.034 -5.619 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.226 -5.691 5.949 1.00 0.00 H new ATOM 396 N PHE A 25 13.717 -7.584 3.798 1.00 0.00 N ATOM 397 CA PHE A 25 13.429 -8.920 3.279 1.00 0.00 C ATOM 398 C PHE A 25 14.363 -9.165 2.074 1.00 0.00 C ATOM 399 O PHE A 25 15.180 -8.306 1.724 1.00 0.00 O ATOM 400 CB PHE A 25 11.927 -9.045 2.931 1.00 0.00 C ATOM 401 CG PHE A 25 10.974 -8.959 4.119 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.855 -7.746 4.818 1.00 0.00 C ATOM 403 CD2 PHE A 25 10.186 -10.056 4.533 1.00 0.00 C ATOM 404 CE1 PHE A 25 10.021 -7.626 5.936 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.347 -9.936 5.655 1.00 0.00 C ATOM 406 CZ PHE A 25 9.264 -8.725 6.364 1.00 0.00 C ATOM 0 H PHE A 25 13.068 -6.871 3.466 1.00 0.00 H new ATOM 0 HA PHE A 25 13.623 -9.692 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.669 -8.259 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.766 -9.997 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.419 -6.887 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.228 -10.987 3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.961 -6.688 6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.760 -10.784 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.623 -8.642 7.230 1.00 0.00 H new ATOM 416 N ASP A 26 14.237 -10.319 1.411 1.00 0.00 N ATOM 417 CA ASP A 26 14.964 -10.623 0.176 1.00 0.00 C ATOM 418 C ASP A 26 13.964 -11.171 -0.822 1.00 0.00 C ATOM 419 O ASP A 26 13.024 -11.856 -0.412 1.00 0.00 O ATOM 420 CB ASP A 26 16.039 -11.683 0.411 1.00 0.00 C ATOM 421 CG ASP A 26 17.068 -11.696 -0.724 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.770 -12.322 -1.769 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.154 -11.092 -0.569 1.00 0.00 O ATOM 0 H ASP A 26 13.623 -11.073 1.719 1.00 0.00 H new ATOM 0 HA ASP A 26 15.448 -9.716 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.542 -11.489 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.573 -12.665 0.493 1.00 0.00 H new ATOM 428 N ARG A 27 14.154 -10.905 -2.116 1.00 0.00 N ATOM 429 CA ARG A 27 13.252 -11.417 -3.143 1.00 0.00 C ATOM 430 C ARG A 27 13.142 -12.938 -3.113 1.00 0.00 C ATOM 431 O ARG A 27 12.088 -13.452 -3.470 1.00 0.00 O ATOM 432 CB ARG A 27 13.671 -10.907 -4.536 1.00 0.00 C ATOM 433 CG ARG A 27 15.019 -11.468 -5.035 1.00 0.00 C ATOM 434 CD ARG A 27 15.372 -10.952 -6.434 1.00 0.00 C ATOM 435 NE ARG A 27 16.682 -11.477 -6.869 1.00 0.00 N ATOM 436 CZ ARG A 27 16.985 -12.035 -8.053 1.00 0.00 C ATOM 437 NH1 ARG A 27 16.070 -12.161 -9.012 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.224 -12.470 -8.271 1.00 0.00 N ATOM 0 H ARG A 27 14.923 -10.339 -2.474 1.00 0.00 H new ATOM 0 HA ARG A 27 12.256 -11.033 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.894 -11.167 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.730 -9.819 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.808 -11.191 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.975 -12.557 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.601 -11.252 -7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.394 -9.862 -6.430 1.00 0.00 H new ATOM 0 HE ARG A 27 17.443 -11.408 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.118 -11.831 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.321 -12.588 -9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.932 -12.378 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.465 -12.895 -9.166 1.00 0.00 H new ATOM 452 N GLU A 28 14.191 -13.653 -2.703 1.00 0.00 N ATOM 453 CA GLU A 28 14.115 -15.095 -2.524 1.00 0.00 C ATOM 454 C GLU A 28 13.515 -15.399 -1.154 1.00 0.00 C ATOM 455 O GLU A 28 12.565 -16.167 -1.064 1.00 0.00 O ATOM 456 CB GLU A 28 15.499 -15.741 -2.672 1.00 0.00 C ATOM 457 CG GLU A 28 16.039 -15.623 -4.099 1.00 0.00 C ATOM 458 CD GLU A 28 17.322 -16.453 -4.289 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.434 -15.954 -3.986 1.00 0.00 O ATOM 460 OE2 GLU A 28 17.232 -17.612 -4.766 1.00 0.00 O ATOM 0 H GLU A 28 15.104 -13.251 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 28 13.475 -15.518 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.196 -15.267 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.439 -16.793 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.280 -15.959 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.245 -14.577 -4.326 1.00 0.00 H new ATOM 467 N GLU A 29 14.030 -14.784 -0.087 1.00 0.00 N ATOM 468 CA GLU A 29 13.679 -15.106 1.300 1.00 0.00 C ATOM 469 C GLU A 29 12.185 -15.009 1.564 1.00 0.00 C ATOM 470 O GLU A 29 11.655 -15.839 2.300 1.00 0.00 O ATOM 471 CB GLU A 29 14.428 -14.177 2.267 1.00 0.00 C ATOM 472 CG GLU A 29 15.928 -14.457 2.346 1.00 0.00 C ATOM 473 CD GLU A 29 16.284 -15.515 3.410 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.846 -16.685 3.288 1.00 0.00 O ATOM 475 OE2 GLU A 29 17.005 -15.180 4.380 1.00 0.00 O ATOM 0 H GLU A 29 14.716 -14.033 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 29 13.977 -16.141 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.276 -13.144 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.995 -14.277 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.282 -14.795 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.455 -13.530 2.572 1.00 0.00 H new ATOM 482 N ILE A 30 11.522 -14.043 0.927 1.00 0.00 N ATOM 483 CA ILE A 30 10.061 -13.933 0.872 1.00 0.00 C ATOM 484 C ILE A 30 9.451 -15.320 0.626 1.00 0.00 C ATOM 485 O ILE A 30 8.661 -15.793 1.436 1.00 0.00 O ATOM 486 CB ILE A 30 9.642 -12.908 -0.208 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.972 -11.466 0.241 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.170 -13.014 -0.656 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.893 -10.707 1.037 1.00 0.00 C ATOM 0 H ILE A 30 11.997 -13.295 0.421 1.00 0.00 H new ATOM 0 HA ILE A 30 9.680 -13.566 1.825 1.00 0.00 H new ATOM 0 HB ILE A 30 10.234 -13.162 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.876 -11.501 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.208 -10.882 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.965 -12.258 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.987 -14.005 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.516 -12.854 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.258 -9.711 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.989 -10.622 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.668 -11.251 1.954 1.00 0.00 H new ATOM 501 N TRP A 31 9.840 -15.999 -0.452 1.00 0.00 N ATOM 502 CA TRP A 31 9.239 -17.258 -0.886 1.00 0.00 C ATOM 503 C TRP A 31 9.662 -18.473 -0.056 1.00 0.00 C ATOM 504 O TRP A 31 9.023 -19.524 -0.161 1.00 0.00 O ATOM 505 CB TRP A 31 9.568 -17.495 -2.363 1.00 0.00 C ATOM 506 CG TRP A 31 9.172 -16.361 -3.255 1.00 0.00 C ATOM 507 CD1 TRP A 31 10.025 -15.623 -3.997 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.853 -15.760 -3.447 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.344 -14.573 -4.580 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.009 -14.576 -4.227 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.543 -16.079 -3.023 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.935 -13.714 -4.498 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.448 -15.255 -3.350 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.642 -14.063 -4.070 1.00 0.00 C ATOM 0 H TRP A 31 10.596 -15.683 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 31 8.164 -17.155 -0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.639 -17.669 -2.464 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.065 -18.402 -2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.079 -15.823 -4.116 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.773 -13.881 -5.195 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.378 -16.971 -2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.101 -12.790 -5.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.452 -15.541 -3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.803 -13.420 -4.293 1.00 0.00 H new ATOM 525 N TYR A 32 10.709 -18.353 0.766 1.00 0.00 N ATOM 526 CA TYR A 32 11.367 -19.491 1.411 1.00 0.00 C ATOM 527 C TYR A 32 11.286 -19.420 2.943 1.00 0.00 C ATOM 528 O TYR A 32 11.874 -20.254 3.636 1.00 0.00 O ATOM 529 CB TYR A 32 12.801 -19.620 0.866 1.00 0.00 C ATOM 530 CG TYR A 32 12.863 -19.817 -0.640 1.00 0.00 C ATOM 531 CD1 TYR A 32 12.163 -20.882 -1.239 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.579 -18.920 -1.450 1.00 0.00 C ATOM 533 CE1 TYR A 32 12.146 -21.024 -2.635 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.528 -19.023 -2.850 1.00 0.00 C ATOM 535 CZ TYR A 32 12.814 -20.083 -3.454 1.00 0.00 C ATOM 536 OH TYR A 32 12.778 -20.183 -4.816 1.00 0.00 O ATOM 0 H TYR A 32 11.127 -17.454 1.004 1.00 0.00 H new ATOM 0 HA TYR A 32 10.835 -20.408 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.363 -18.725 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.292 -20.461 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.636 -21.594 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.174 -18.144 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.622 -21.854 -3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.034 -18.293 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 32 13.292 -19.448 -5.212 1.00 0.00 H new ATOM 546 N ASN A 33 10.520 -18.464 3.480 1.00 0.00 N ATOM 547 CA ASN A 33 10.249 -18.268 4.892 1.00 0.00 C ATOM 548 C ASN A 33 8.756 -17.951 4.969 1.00 0.00 C ATOM 549 O ASN A 33 8.374 -16.793 4.819 1.00 0.00 O ATOM 550 CB ASN A 33 11.087 -17.091 5.405 1.00 0.00 C ATOM 551 CG ASN A 33 12.579 -17.374 5.429 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.131 -17.925 6.380 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.244 -16.977 4.364 1.00 0.00 N ATOM 0 H ASN A 33 10.049 -17.770 2.899 1.00 0.00 H new ATOM 0 HA ASN A 33 10.501 -19.137 5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.900 -16.221 4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.758 -16.833 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.252 -17.123 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.751 -16.523 3.595 1.00 0.00 H new ATOM 560 N ARG A 34 7.899 -18.975 5.079 1.00 0.00 N ATOM 561 CA ARG A 34 6.451 -18.860 4.850 1.00 0.00 C ATOM 562 C ARG A 34 5.805 -17.700 5.607 1.00 0.00 C ATOM 563 O ARG A 34 4.956 -16.989 5.064 1.00 0.00 O ATOM 564 CB ARG A 34 5.780 -20.200 5.197 1.00 0.00 C ATOM 565 CG ARG A 34 4.248 -20.154 5.061 1.00 0.00 C ATOM 566 CD ARG A 34 3.660 -21.563 5.143 1.00 0.00 C ATOM 567 NE ARG A 34 2.186 -21.539 5.087 1.00 0.00 N ATOM 568 CZ ARG A 34 1.380 -22.608 5.167 1.00 0.00 C ATOM 569 NH1 ARG A 34 1.892 -23.832 5.298 1.00 0.00 N ATOM 570 NH2 ARG A 34 0.061 -22.446 5.110 1.00 0.00 N ATOM 0 H ARG A 34 8.194 -19.918 5.332 1.00 0.00 H new ATOM 0 HA ARG A 34 6.300 -18.631 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.175 -20.978 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.041 -20.478 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.826 -19.531 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.975 -19.694 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.046 -22.168 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.982 -22.039 6.069 1.00 0.00 H new ATOM 0 HE ARG A 34 1.740 -20.628 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.903 -23.960 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.273 -24.640 5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.334 -21.511 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.555 -23.256 5.170 1.00 0.00 H new ATOM 584 N GLU A 35 6.175 -17.503 6.870 1.00 0.00 N ATOM 585 CA GLU A 35 5.589 -16.446 7.671 1.00 0.00 C ATOM 586 C GLU A 35 6.099 -15.073 7.226 1.00 0.00 C ATOM 587 O GLU A 35 5.352 -14.097 7.265 1.00 0.00 O ATOM 588 CB GLU A 35 5.810 -16.694 9.176 1.00 0.00 C ATOM 589 CG GLU A 35 7.262 -16.670 9.686 1.00 0.00 C ATOM 590 CD GLU A 35 8.049 -17.945 9.327 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.595 -18.020 8.200 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.111 -18.876 10.166 1.00 0.00 O ATOM 0 H GLU A 35 6.876 -18.063 7.355 1.00 0.00 H new ATOM 0 HA GLU A 35 4.511 -16.455 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.245 -15.943 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.380 -17.664 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.774 -15.804 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.259 -16.545 10.769 1.00 0.00 H new ATOM 599 N ARG A 36 7.347 -14.995 6.750 1.00 0.00 N ATOM 600 CA ARG A 36 7.920 -13.767 6.230 1.00 0.00 C ATOM 601 C ARG A 36 7.410 -13.477 4.823 1.00 0.00 C ATOM 602 O ARG A 36 7.486 -12.323 4.403 1.00 0.00 O ATOM 603 CB ARG A 36 9.441 -13.839 6.257 1.00 0.00 C ATOM 604 CG ARG A 36 10.060 -13.974 7.662 1.00 0.00 C ATOM 605 CD ARG A 36 9.392 -13.097 8.734 1.00 0.00 C ATOM 606 NE ARG A 36 10.059 -13.225 10.039 1.00 0.00 N ATOM 607 CZ ARG A 36 9.543 -12.847 11.219 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.328 -12.306 11.300 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.259 -13.013 12.327 1.00 0.00 N ATOM 0 H ARG A 36 7.984 -15.791 6.718 1.00 0.00 H new ATOM 0 HA ARG A 36 7.604 -12.944 6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.761 -14.688 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.841 -12.942 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.001 -15.017 7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.118 -13.717 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.413 -12.055 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.344 -13.379 8.833 1.00 0.00 H new ATOM 0 HE ARG A 36 10.993 -13.636 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.772 -12.172 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.954 -12.025 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.191 -13.424 12.275 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.876 -12.729 13.229 1.00 0.00 H new ATOM 623 N SER A 37 6.870 -14.463 4.104 1.00 0.00 N ATOM 624 CA SER A 37 6.111 -14.149 2.907 1.00 0.00 C ATOM 625 C SER A 37 4.895 -13.339 3.346 1.00 0.00 C ATOM 626 O SER A 37 4.708 -12.223 2.873 1.00 0.00 O ATOM 627 CB SER A 37 5.674 -15.385 2.098 1.00 0.00 C ATOM 628 OG SER A 37 6.402 -16.552 2.417 1.00 0.00 O ATOM 0 H SER A 37 6.944 -15.456 4.326 1.00 0.00 H new ATOM 0 HA SER A 37 6.754 -13.587 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.614 -15.568 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.789 -15.173 1.035 1.00 0.00 H new ATOM 0 HG SER A 37 7.362 -16.372 2.334 1.00 0.00 H new ATOM 634 N GLU A 38 4.100 -13.887 4.272 1.00 0.00 N ATOM 635 CA GLU A 38 2.770 -13.417 4.629 1.00 0.00 C ATOM 636 C GLU A 38 2.729 -11.922 4.967 1.00 0.00 C ATOM 637 O GLU A 38 1.750 -11.257 4.630 1.00 0.00 O ATOM 638 CB GLU A 38 2.236 -14.282 5.783 1.00 0.00 C ATOM 639 CG GLU A 38 0.723 -14.453 5.666 1.00 0.00 C ATOM 640 CD GLU A 38 0.144 -15.254 6.849 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.246 -16.505 6.847 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.438 -14.640 7.776 1.00 0.00 O ATOM 0 H GLU A 38 4.384 -14.704 4.812 1.00 0.00 H new ATOM 0 HA GLU A 38 2.122 -13.524 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.721 -15.258 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.483 -13.818 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.249 -13.473 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.486 -14.962 4.732 1.00 0.00 H new ATOM 649 N GLU A 39 3.789 -11.376 5.569 1.00 0.00 N ATOM 650 CA GLU A 39 3.883 -9.979 5.963 1.00 0.00 C ATOM 651 C GLU A 39 3.612 -9.047 4.776 1.00 0.00 C ATOM 652 O GLU A 39 2.918 -8.041 4.921 1.00 0.00 O ATOM 653 CB GLU A 39 5.285 -9.663 6.532 1.00 0.00 C ATOM 654 CG GLU A 39 6.046 -10.787 7.240 1.00 0.00 C ATOM 655 CD GLU A 39 5.517 -11.196 8.632 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.318 -10.998 8.951 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.348 -11.681 9.444 1.00 0.00 O ATOM 0 H GLU A 39 4.625 -11.913 5.799 1.00 0.00 H new ATOM 0 HA GLU A 39 3.128 -9.811 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.906 -9.306 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.181 -8.836 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.034 -11.667 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.087 -10.483 7.345 1.00 0.00 H new ATOM 664 N LEU A 40 4.139 -9.407 3.603 1.00 0.00 N ATOM 665 CA LEU A 40 3.990 -8.645 2.371 1.00 0.00 C ATOM 666 C LEU A 40 2.511 -8.530 2.017 1.00 0.00 C ATOM 667 O LEU A 40 1.979 -7.437 1.823 1.00 0.00 O ATOM 668 CB LEU A 40 4.842 -9.313 1.274 1.00 0.00 C ATOM 669 CG LEU A 40 4.744 -8.812 -0.183 1.00 0.00 C ATOM 670 CD1 LEU A 40 3.994 -9.823 -1.050 1.00 0.00 C ATOM 671 CD2 LEU A 40 4.168 -7.406 -0.394 1.00 0.00 C ATOM 0 H LEU A 40 4.692 -10.256 3.486 1.00 0.00 H new ATOM 0 HA LEU A 40 4.355 -7.624 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.886 -9.230 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.594 -10.374 1.271 1.00 0.00 H new ATOM 0 HG LEU A 40 5.785 -8.722 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.935 -9.452 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.524 -10.775 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.987 -9.963 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.153 -7.175 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.153 -7.366 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.788 -6.677 0.127 1.00 0.00 H new ATOM 683 N PHE A 41 1.829 -9.668 1.997 1.00 0.00 N ATOM 684 CA PHE A 41 0.429 -9.768 1.636 1.00 0.00 C ATOM 685 C PHE A 41 -0.435 -9.037 2.668 1.00 0.00 C ATOM 686 O PHE A 41 -1.440 -8.421 2.312 1.00 0.00 O ATOM 687 CB PHE A 41 0.044 -11.246 1.512 1.00 0.00 C ATOM 688 CG PHE A 41 0.973 -11.993 0.573 1.00 0.00 C ATOM 689 CD1 PHE A 41 2.206 -12.457 1.065 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.681 -12.117 -0.797 1.00 0.00 C ATOM 691 CE1 PHE A 41 3.136 -13.061 0.202 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.613 -12.725 -1.658 1.00 0.00 C ATOM 693 CZ PHE A 41 2.836 -13.202 -1.161 1.00 0.00 C ATOM 0 H PHE A 41 2.248 -10.566 2.238 1.00 0.00 H new ATOM 0 HA PHE A 41 0.257 -9.289 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.070 -11.712 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.981 -11.326 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.440 -12.348 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.256 -11.747 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.080 -13.416 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.386 -12.825 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.543 -13.676 -1.826 1.00 0.00 H new ATOM 703 N TRP A 42 -0.036 -9.066 3.940 1.00 0.00 N ATOM 704 CA TRP A 42 -0.687 -8.279 4.969 1.00 0.00 C ATOM 705 C TRP A 42 -0.583 -6.772 4.707 1.00 0.00 C ATOM 706 O TRP A 42 -1.570 -6.081 4.954 1.00 0.00 O ATOM 707 CB TRP A 42 -0.166 -8.681 6.354 1.00 0.00 C ATOM 708 CG TRP A 42 -0.880 -9.873 6.910 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.352 -11.101 7.094 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.289 -9.990 7.281 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.320 -11.961 7.567 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.544 -11.336 7.682 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.388 -9.101 7.282 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.821 -11.775 8.062 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.676 -9.532 7.655 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.895 -10.866 8.042 1.00 0.00 C ATOM 0 H TRP A 42 0.742 -9.633 4.277 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.754 -8.501 4.941 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.900 -8.898 6.289 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.279 -7.841 7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.676 -11.370 6.900 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.152 -12.939 7.803 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.237 -8.072 6.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.978 -12.799 8.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.500 -8.834 7.644 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.885 -11.192 8.323 1.00 0.00 H new ATOM 727 N GLU A 43 0.520 -6.239 4.171 1.00 0.00 N ATOM 728 CA GLU A 43 0.615 -4.812 3.871 1.00 0.00 C ATOM 729 C GLU A 43 -0.391 -4.415 2.794 1.00 0.00 C ATOM 730 O GLU A 43 -1.066 -3.397 2.922 1.00 0.00 O ATOM 731 CB GLU A 43 1.999 -4.414 3.336 1.00 0.00 C ATOM 732 CG GLU A 43 3.144 -4.538 4.336 1.00 0.00 C ATOM 733 CD GLU A 43 4.465 -4.131 3.670 1.00 0.00 C ATOM 734 OE1 GLU A 43 4.629 -2.938 3.318 1.00 0.00 O ATOM 735 OE2 GLU A 43 5.363 -4.987 3.493 1.00 0.00 O ATOM 0 H GLU A 43 1.356 -6.775 3.938 1.00 0.00 H new ATOM 0 HA GLU A 43 0.418 -4.303 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.227 -5.034 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.953 -3.382 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.953 -3.904 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.211 -5.563 4.700 1.00 0.00 H new ATOM 742 N VAL A 44 -0.479 -5.183 1.710 1.00 0.00 N ATOM 743 CA VAL A 44 -1.316 -4.814 0.591 1.00 0.00 C ATOM 744 C VAL A 44 -2.787 -4.942 0.953 1.00 0.00 C ATOM 745 O VAL A 44 -3.585 -4.068 0.624 1.00 0.00 O ATOM 746 CB VAL A 44 -0.946 -5.649 -0.627 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.432 -5.209 -1.126 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.851 -7.148 -0.380 1.00 0.00 C ATOM 0 H VAL A 44 0.023 -6.063 1.591 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.145 -3.767 0.341 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.753 -5.482 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.709 -5.800 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.401 -4.154 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.169 -5.359 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.583 -7.653 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.089 -7.345 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.813 -7.521 -0.029 1.00 0.00 H new ATOM 758 N MET A 45 -3.138 -6.009 1.663 1.00 0.00 N ATOM 759 CA MET A 45 -4.455 -6.199 2.211 1.00 0.00 C ATOM 760 C MET A 45 -4.788 -5.046 3.173 1.00 0.00 C ATOM 761 O MET A 45 -5.891 -4.501 3.118 1.00 0.00 O ATOM 762 CB MET A 45 -4.492 -7.580 2.869 1.00 0.00 C ATOM 763 CG MET A 45 -5.856 -7.897 3.463 1.00 0.00 C ATOM 764 SD MET A 45 -7.301 -7.679 2.376 1.00 0.00 S ATOM 765 CE MET A 45 -6.902 -8.768 0.980 1.00 0.00 C ATOM 0 H MET A 45 -2.496 -6.774 1.871 1.00 0.00 H new ATOM 0 HA MET A 45 -5.225 -6.175 1.440 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.234 -8.339 2.131 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.736 -7.627 3.653 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.844 -8.931 3.807 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.996 -7.270 4.343 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.706 -8.726 0.245 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.970 -8.441 0.518 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.790 -9.792 1.337 1.00 0.00 H new ATOM 775 N ASP A 46 -3.840 -4.616 4.010 1.00 0.00 N ATOM 776 CA ASP A 46 -4.036 -3.486 4.913 1.00 0.00 C ATOM 777 C ASP A 46 -4.305 -2.194 4.139 1.00 0.00 C ATOM 778 O ASP A 46 -5.205 -1.429 4.490 1.00 0.00 O ATOM 779 CB ASP A 46 -2.820 -3.270 5.816 1.00 0.00 C ATOM 780 CG ASP A 46 -3.069 -2.066 6.738 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.864 -2.193 7.702 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.452 -0.997 6.520 1.00 0.00 O ATOM 0 H ASP A 46 -2.916 -5.043 4.078 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.903 -3.729 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.633 -4.164 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.930 -3.099 5.210 1.00 0.00 H new ATOM 787 N GLU A 47 -3.565 -1.970 3.055 1.00 0.00 N ATOM 788 CA GLU A 47 -3.665 -0.834 2.172 1.00 0.00 C ATOM 789 C GLU A 47 -5.024 -0.783 1.437 1.00 0.00 C ATOM 790 O GLU A 47 -5.357 0.243 0.840 1.00 0.00 O ATOM 791 CB GLU A 47 -2.423 -0.927 1.268 1.00 0.00 C ATOM 792 CG GLU A 47 -2.439 -0.148 -0.035 1.00 0.00 C ATOM 793 CD GLU A 47 -2.551 1.388 0.110 1.00 0.00 C ATOM 794 OE1 GLU A 47 -2.295 1.942 1.208 1.00 0.00 O ATOM 795 OE2 GLU A 47 -2.853 2.062 -0.906 1.00 0.00 O ATOM 0 H GLU A 47 -2.838 -2.623 2.761 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.662 0.120 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.561 -0.595 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.260 -1.978 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.528 -0.378 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.275 -0.501 -0.639 1.00 0.00 H new ATOM 802 N VAL A 48 -5.855 -1.827 1.544 1.00 0.00 N ATOM 803 CA VAL A 48 -7.208 -1.879 0.983 1.00 0.00 C ATOM 804 C VAL A 48 -8.254 -2.234 2.045 1.00 0.00 C ATOM 805 O VAL A 48 -9.426 -2.407 1.710 1.00 0.00 O ATOM 806 CB VAL A 48 -7.275 -2.830 -0.233 1.00 0.00 C ATOM 807 CG1 VAL A 48 -6.233 -2.437 -1.287 1.00 0.00 C ATOM 808 CG2 VAL A 48 -7.049 -4.307 0.114 1.00 0.00 C ATOM 0 H VAL A 48 -5.596 -2.682 2.037 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.451 -0.878 0.627 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.291 -2.724 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.297 -3.119 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.424 -1.419 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.236 -2.493 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.112 -4.908 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.063 -4.429 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.811 -4.636 0.820 1.00 0.00 H new ATOM 818 N HIS A 49 -7.857 -2.365 3.312 1.00 0.00 N ATOM 819 CA HIS A 49 -8.687 -3.030 4.307 1.00 0.00 C ATOM 820 C HIS A 49 -10.052 -2.380 4.542 1.00 0.00 C ATOM 821 O HIS A 49 -10.984 -3.084 4.922 1.00 0.00 O ATOM 822 CB HIS A 49 -7.933 -3.225 5.627 1.00 0.00 C ATOM 823 CG HIS A 49 -8.157 -4.597 6.206 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.553 -4.920 7.484 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.987 -5.769 5.524 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.623 -6.261 7.563 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.287 -6.830 6.388 1.00 0.00 N ATOM 0 H HIS A 49 -6.967 -2.019 3.669 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.907 -4.007 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.867 -3.071 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.257 -2.471 6.345 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.675 -5.861 4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.910 -6.808 8.449 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.257 -7.827 6.173 1.00 0.00 H new ATOM 835 N GLU A 50 -10.213 -1.078 4.285 1.00 0.00 N ATOM 836 CA GLU A 50 -11.510 -0.411 4.419 1.00 0.00 C ATOM 837 C GLU A 50 -12.563 -1.011 3.466 1.00 0.00 C ATOM 838 O GLU A 50 -13.764 -0.909 3.727 1.00 0.00 O ATOM 839 CB GLU A 50 -11.367 1.098 4.169 1.00 0.00 C ATOM 840 CG GLU A 50 -10.518 1.804 5.236 1.00 0.00 C ATOM 841 CD GLU A 50 -10.480 3.326 5.005 1.00 0.00 C ATOM 842 OE1 GLU A 50 -9.575 3.811 4.281 1.00 0.00 O ATOM 843 OE2 GLU A 50 -11.343 4.053 5.558 1.00 0.00 O ATOM 0 H GLU A 50 -9.457 -0.464 3.982 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.856 -0.572 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.916 1.257 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.358 1.552 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.925 1.594 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.503 1.406 5.218 1.00 0.00 H new ATOM 850 N GLU A 51 -12.130 -1.650 2.374 1.00 0.00 N ATOM 851 CA GLU A 51 -12.999 -2.310 1.398 1.00 0.00 C ATOM 852 C GLU A 51 -13.230 -3.791 1.758 1.00 0.00 C ATOM 853 O GLU A 51 -14.019 -4.471 1.098 1.00 0.00 O ATOM 854 CB GLU A 51 -12.366 -2.228 0.000 1.00 0.00 C ATOM 855 CG GLU A 51 -12.270 -0.791 -0.521 1.00 0.00 C ATOM 856 CD GLU A 51 -11.470 -0.708 -1.834 1.00 0.00 C ATOM 857 OE1 GLU A 51 -10.373 -1.310 -1.924 1.00 0.00 O ATOM 858 OE2 GLU A 51 -11.941 -0.053 -2.794 1.00 0.00 O ATOM 0 H GLU A 51 -11.140 -1.723 2.140 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.961 -1.797 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.369 -2.667 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.955 -2.824 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.273 -0.395 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.796 -0.162 0.233 1.00 0.00 H new ATOM 865 N GLU A 52 -12.523 -4.315 2.767 1.00 0.00 N ATOM 866 CA GLU A 52 -12.264 -5.745 2.914 1.00 0.00 C ATOM 867 C GLU A 52 -12.558 -6.263 4.319 1.00 0.00 C ATOM 868 O GLU A 52 -12.850 -7.446 4.474 1.00 0.00 O ATOM 869 CB GLU A 52 -10.799 -6.021 2.580 1.00 0.00 C ATOM 870 CG GLU A 52 -10.451 -5.802 1.107 1.00 0.00 C ATOM 871 CD GLU A 52 -11.143 -6.762 0.128 1.00 0.00 C ATOM 872 OE1 GLU A 52 -11.599 -7.857 0.536 1.00 0.00 O ATOM 873 OE2 GLU A 52 -11.193 -6.422 -1.076 1.00 0.00 O ATOM 0 H GLU A 52 -12.112 -3.749 3.510 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.934 -6.267 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.169 -5.376 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.562 -7.050 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.712 -4.779 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.372 -5.898 0.986 1.00 0.00 H new ATOM 880 N GLU A 53 -12.539 -5.416 5.349 1.00 0.00 N ATOM 881 CA GLU A 53 -12.730 -5.837 6.737 1.00 0.00 C ATOM 882 C GLU A 53 -14.088 -6.527 6.963 1.00 0.00 C ATOM 883 O GLU A 53 -14.209 -7.390 7.836 1.00 0.00 O ATOM 884 CB GLU A 53 -12.514 -4.645 7.685 1.00 0.00 C ATOM 885 CG GLU A 53 -13.516 -3.494 7.502 1.00 0.00 C ATOM 886 CD GLU A 53 -13.248 -2.355 8.505 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.702 -2.452 9.673 1.00 0.00 O ATOM 888 OE2 GLU A 53 -12.603 -1.344 8.136 1.00 0.00 O ATOM 0 H GLU A 53 -12.390 -4.413 5.243 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.979 -6.593 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.572 -5.000 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.505 -4.258 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.449 -3.109 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.531 -3.868 7.635 1.00 0.00 H new ATOM 895 N PHE A 54 -15.095 -6.188 6.147 1.00 0.00 N ATOM 896 CA PHE A 54 -16.424 -6.798 6.185 1.00 0.00 C ATOM 897 C PHE A 54 -16.462 -8.168 5.476 1.00 0.00 C ATOM 898 O PHE A 54 -17.460 -8.884 5.578 1.00 0.00 O ATOM 899 CB PHE A 54 -17.413 -5.811 5.541 1.00 0.00 C ATOM 900 CG PHE A 54 -18.884 -6.147 5.723 1.00 0.00 C ATOM 901 CD1 PHE A 54 -19.490 -5.994 6.988 1.00 0.00 C ATOM 902 CD2 PHE A 54 -19.659 -6.589 4.632 1.00 0.00 C ATOM 903 CE1 PHE A 54 -20.852 -6.290 7.160 1.00 0.00 C ATOM 904 CE2 PHE A 54 -21.023 -6.884 4.807 1.00 0.00 C ATOM 905 CZ PHE A 54 -21.620 -6.734 6.071 1.00 0.00 C ATOM 0 H PHE A 54 -15.004 -5.468 5.430 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.700 -6.994 7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.231 -4.819 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.200 -5.755 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.904 -5.648 7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -19.204 -6.701 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -21.310 -6.176 8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -21.613 -7.226 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.668 -6.960 6.204 1.00 0.00 H new ATOM 915 N ALA A 55 -15.402 -8.543 4.744 1.00 0.00 N ATOM 916 CA ALA A 55 -15.420 -9.617 3.751 1.00 0.00 C ATOM 917 C ALA A 55 -14.254 -10.604 3.885 1.00 0.00 C ATOM 918 O ALA A 55 -14.306 -11.664 3.260 1.00 0.00 O ATOM 919 CB ALA A 55 -15.439 -8.986 2.352 1.00 0.00 C ATOM 0 H ALA A 55 -14.490 -8.095 4.831 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.318 -10.210 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.453 -9.773 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.329 -8.365 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.549 -8.371 2.218 1.00 0.00 H new ATOM 925 N VAL A 56 -13.222 -10.338 4.696 1.00 0.00 N ATOM 926 CA VAL A 56 -12.121 -11.291 4.923 1.00 0.00 C ATOM 927 C VAL A 56 -12.517 -12.499 5.790 1.00 0.00 C ATOM 928 O VAL A 56 -11.699 -13.376 6.068 1.00 0.00 O ATOM 929 CB VAL A 56 -10.843 -10.582 5.432 1.00 0.00 C ATOM 930 CG1 VAL A 56 -10.215 -9.725 4.325 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.092 -9.729 6.687 1.00 0.00 C ATOM 0 H VAL A 56 -13.124 -9.463 5.211 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.885 -11.714 3.947 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.146 -11.371 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.318 -9.237 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.950 -10.360 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.930 -8.969 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.160 -9.257 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.831 -8.960 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.462 -10.365 7.492 1.00 0.00 H new ATOM 941 N GLU A 57 -13.792 -12.583 6.164 1.00 0.00 N ATOM 942 CA GLU A 57 -14.464 -13.825 6.530 1.00 0.00 C ATOM 943 C GLU A 57 -14.436 -14.883 5.415 1.00 0.00 C ATOM 944 O GLU A 57 -14.594 -16.076 5.688 1.00 0.00 O ATOM 945 CB GLU A 57 -15.911 -13.497 6.934 1.00 0.00 C ATOM 946 CG GLU A 57 -16.623 -12.607 5.898 1.00 0.00 C ATOM 947 CD GLU A 57 -18.144 -12.561 6.136 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.591 -12.091 7.211 1.00 0.00 O ATOM 949 OE2 GLU A 57 -18.910 -13.002 5.243 1.00 0.00 O ATOM 0 H GLU A 57 -14.401 -11.767 6.222 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.922 -14.266 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.470 -14.425 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.910 -12.994 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.217 -11.597 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.423 -12.984 4.895 1.00 0.00 H new ATOM 956 N GLY A 58 -14.231 -14.454 4.169 1.00 0.00 N ATOM 957 CA GLY A 58 -14.162 -15.308 2.998 1.00 0.00 C ATOM 958 C GLY A 58 -12.719 -15.692 2.645 1.00 0.00 C ATOM 959 O GLY A 58 -11.786 -15.365 3.389 1.00 0.00 O ATOM 0 H GLY A 58 -14.105 -13.466 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.744 -16.212 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.618 -14.797 2.150 1.00 0.00 H new ATOM 963 N PRO A 59 -12.524 -16.413 1.527 1.00 0.00 N ATOM 964 CA PRO A 59 -11.223 -16.923 1.124 1.00 0.00 C ATOM 965 C PRO A 59 -10.295 -15.807 0.614 1.00 0.00 C ATOM 966 O PRO A 59 -10.719 -14.681 0.337 1.00 0.00 O ATOM 967 CB PRO A 59 -11.525 -17.954 0.032 1.00 0.00 C ATOM 968 CG PRO A 59 -12.789 -17.408 -0.613 1.00 0.00 C ATOM 969 CD PRO A 59 -13.545 -16.806 0.567 1.00 0.00 C ATOM 0 HA PRO A 59 -10.688 -17.365 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.708 -18.034 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.682 -18.949 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.563 -16.659 -1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.364 -18.194 -1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.140 -15.948 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.234 -17.530 1.002 1.00 0.00 H new ATOM 977 N LEU A 60 -9.029 -16.172 0.400 1.00 0.00 N ATOM 978 CA LEU A 60 -8.034 -15.393 -0.331 1.00 0.00 C ATOM 979 C LEU A 60 -7.191 -16.385 -1.129 1.00 0.00 C ATOM 980 O LEU A 60 -7.029 -17.539 -0.724 1.00 0.00 O ATOM 981 CB LEU A 60 -7.144 -14.601 0.643 1.00 0.00 C ATOM 982 CG LEU A 60 -6.215 -13.552 -0.009 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.987 -12.465 -0.772 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.355 -12.881 1.067 1.00 0.00 C ATOM 0 H LEU A 60 -8.656 -17.056 0.747 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.518 -14.672 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.785 -14.095 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.530 -15.307 1.203 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.594 -14.087 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.283 -11.757 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.576 -12.926 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.651 -11.940 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.702 -12.142 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.001 -12.388 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.750 -13.634 1.571 1.00 0.00 H new ATOM 996 N TRP A 61 -6.648 -15.921 -2.247 1.00 0.00 N ATOM 997 CA TRP A 61 -5.932 -16.707 -3.235 1.00 0.00 C ATOM 998 C TRP A 61 -4.784 -15.848 -3.743 1.00 0.00 C ATOM 999 O TRP A 61 -4.928 -14.624 -3.756 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.900 -16.968 -4.388 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.092 -17.820 -4.093 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.253 -17.391 -3.554 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.270 -19.242 -4.344 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.130 -18.452 -3.434 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.574 -19.623 -3.911 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.453 -20.240 -4.907 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.040 -20.944 -4.019 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.907 -21.569 -5.022 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.196 -21.922 -4.578 1.00 0.00 C ATOM 0 H TRP A 61 -6.700 -14.934 -2.499 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.559 -17.646 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.254 -16.006 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.342 -17.435 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.464 -16.373 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.069 -18.380 -3.043 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.464 -19.984 -5.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.031 -21.205 -3.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.263 -22.321 -5.453 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.537 -22.943 -4.666 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.682 -16.452 -4.193 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.464 -15.729 -4.551 1.00 0.00 C ATOM 1022 C ILE A 62 -1.941 -16.283 -5.885 1.00 0.00 C ATOM 1023 O ILE A 62 -1.975 -17.493 -6.123 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.392 -15.860 -3.428 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.893 -15.853 -1.958 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.296 -14.793 -3.597 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.431 -14.530 -1.391 1.00 0.00 C ATOM 0 H ILE A 62 -3.611 -17.462 -4.319 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.684 -14.667 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.007 -16.869 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.681 -16.601 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.070 -16.180 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.443 -14.901 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.190 -14.920 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.743 -13.800 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.744 -14.678 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.648 -13.773 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.284 -14.200 -1.984 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.416 -15.393 -6.725 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.688 -15.658 -7.960 1.00 0.00 C ATOM 1041 C GLN A 63 0.479 -14.653 -8.000 1.00 0.00 C ATOM 1042 O GLN A 63 0.381 -13.565 -7.428 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.675 -15.481 -9.134 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.079 -15.625 -10.547 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.957 -14.956 -11.608 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -1.643 -13.859 -12.065 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -3.062 -15.574 -12.003 1.00 0.00 N ATOM 0 H GLN A 63 -1.496 -14.392 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.282 -16.668 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.475 -16.213 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.131 -14.495 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.083 -15.182 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.963 -16.682 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.305 -16.484 -11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.669 -15.139 -12.698 1.00 0.00 H new ATOM 1056 N VAL A 64 1.578 -14.974 -8.684 1.00 0.00 N ATOM 1057 CA VAL A 64 2.760 -14.111 -8.767 1.00 0.00 C ATOM 1058 C VAL A 64 3.318 -14.153 -10.200 1.00 0.00 C ATOM 1059 O VAL A 64 3.012 -15.073 -10.965 1.00 0.00 O ATOM 1060 CB VAL A 64 3.751 -14.539 -7.661 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.373 -15.924 -7.900 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.853 -13.500 -7.424 1.00 0.00 C ATOM 0 H VAL A 64 1.675 -15.848 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 64 2.528 -13.063 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 64 3.144 -14.606 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.058 -16.161 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.584 -16.675 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.919 -15.920 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.521 -13.851 -6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.420 -13.355 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.403 -12.554 -7.122 1.00 0.00 H new ATOM 1072 N GLN A 65 4.129 -13.168 -10.579 1.00 0.00 N ATOM 1073 CA GLN A 65 5.048 -13.194 -11.706 1.00 0.00 C ATOM 1074 C GLN A 65 6.363 -12.638 -11.182 1.00 0.00 C ATOM 1075 O GLN A 65 6.337 -11.719 -10.367 1.00 0.00 O ATOM 1076 CB GLN A 65 4.586 -12.261 -12.841 1.00 0.00 C ATOM 1077 CG GLN A 65 3.410 -12.772 -13.668 1.00 0.00 C ATOM 1078 CD GLN A 65 2.035 -12.308 -13.180 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.546 -11.242 -13.541 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.369 -13.125 -12.385 1.00 0.00 N ATOM 0 H GLN A 65 4.161 -12.281 -10.076 1.00 0.00 H new ATOM 0 HA GLN A 65 5.117 -14.209 -12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.314 -11.298 -12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.429 -12.084 -13.509 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.542 -12.449 -14.701 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.431 -13.862 -13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.789 -14.008 -12.094 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.435 -12.873 -12.062 1.00 0.00 H new ATOM 1089 N ALA A 66 7.498 -13.101 -11.704 1.00 0.00 N ATOM 1090 CA ALA A 66 8.798 -12.495 -11.447 1.00 0.00 C ATOM 1091 C ALA A 66 9.250 -11.852 -12.760 1.00 0.00 C ATOM 1092 O ALA A 66 9.197 -12.475 -13.823 1.00 0.00 O ATOM 1093 CB ALA A 66 9.772 -13.539 -10.890 1.00 0.00 C ATOM 0 H ALA A 66 7.539 -13.912 -12.321 1.00 0.00 H new ATOM 0 HA ALA A 66 8.754 -11.722 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.739 -13.071 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.378 -13.943 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.893 -14.346 -11.613 1.00 0.00 H new ATOM 1099 N LEU A 67 9.621 -10.578 -12.671 1.00 0.00 N ATOM 1100 CA LEU A 67 9.895 -9.657 -13.764 1.00 0.00 C ATOM 1101 C LEU A 67 11.358 -9.199 -13.642 1.00 0.00 C ATOM 1102 O LEU A 67 12.107 -9.715 -12.809 1.00 0.00 O ATOM 1103 CB LEU A 67 8.890 -8.484 -13.703 1.00 0.00 C ATOM 1104 CG LEU A 67 7.421 -8.907 -13.936 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.674 -9.160 -12.640 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.652 -7.823 -14.693 1.00 0.00 C ATOM 0 H LEU A 67 9.747 -10.131 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 67 9.769 -10.131 -14.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.969 -8.001 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.167 -7.741 -14.451 1.00 0.00 H new ATOM 0 HG LEU A 67 7.472 -9.830 -14.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.648 -9.454 -12.863 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.168 -9.958 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.669 -8.250 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.622 -8.146 -14.844 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.662 -6.899 -14.115 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.124 -7.651 -15.661 1.00 0.00 H new ATOM 1118 N ASP A 68 11.801 -8.264 -14.492 1.00 0.00 N ATOM 1119 CA ASP A 68 13.234 -7.999 -14.665 1.00 0.00 C ATOM 1120 C ASP A 68 13.919 -7.488 -13.390 1.00 0.00 C ATOM 1121 O ASP A 68 15.054 -7.879 -13.125 1.00 0.00 O ATOM 1122 CB ASP A 68 13.471 -7.026 -15.825 1.00 0.00 C ATOM 1123 CG ASP A 68 14.972 -6.939 -16.156 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.537 -7.923 -16.688 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.603 -5.888 -15.888 1.00 0.00 O ATOM 0 H ASP A 68 11.192 -7.682 -15.067 1.00 0.00 H new ATOM 0 HA ASP A 68 13.692 -8.960 -14.899 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.917 -7.356 -16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.092 -6.038 -15.562 1.00 0.00 H new ATOM 1130 N LYS A 69 13.231 -6.658 -12.585 1.00 0.00 N ATOM 1131 CA LYS A 69 13.758 -6.079 -11.332 1.00 0.00 C ATOM 1132 C LYS A 69 12.693 -6.010 -10.225 1.00 0.00 C ATOM 1133 O LYS A 69 12.753 -5.161 -9.331 1.00 0.00 O ATOM 1134 CB LYS A 69 14.385 -4.696 -11.582 1.00 0.00 C ATOM 1135 CG LYS A 69 15.591 -4.691 -12.527 1.00 0.00 C ATOM 1136 CD LYS A 69 16.822 -5.430 -11.966 1.00 0.00 C ATOM 1137 CE LYS A 69 17.997 -5.404 -12.956 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.754 -6.264 -14.146 1.00 0.00 N ATOM 0 H LYS A 69 12.276 -6.365 -12.789 1.00 0.00 H new ATOM 0 HA LYS A 69 14.540 -6.751 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.620 -4.036 -11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.691 -4.275 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.302 -5.150 -13.472 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.866 -3.659 -12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.127 -4.969 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.556 -6.463 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.172 -4.379 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.903 -5.737 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.588 -6.240 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.580 -7.242 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.925 -5.912 -14.665 1.00 0.00 H new ATOM 1152 N GLY A 70 11.682 -6.867 -10.286 1.00 0.00 N ATOM 1153 CA GLY A 70 10.569 -6.859 -9.349 1.00 0.00 C ATOM 1154 C GLY A 70 9.649 -8.032 -9.637 1.00 0.00 C ATOM 1155 O GLY A 70 9.976 -8.894 -10.452 1.00 0.00 O ATOM 0 H GLY A 70 11.612 -7.595 -10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.942 -6.919 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.017 -5.923 -9.433 1.00 0.00 H new ATOM 1159 N LEU A 71 8.486 -8.064 -8.996 1.00 0.00 N ATOM 1160 CA LEU A 71 7.470 -9.098 -9.155 1.00 0.00 C ATOM 1161 C LEU A 71 6.108 -8.424 -9.233 1.00 0.00 C ATOM 1162 O LEU A 71 5.880 -7.440 -8.530 1.00 0.00 O ATOM 1163 CB LEU A 71 7.467 -10.058 -7.951 1.00 0.00 C ATOM 1164 CG LEU A 71 8.796 -10.820 -7.771 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.474 -10.336 -6.488 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.605 -12.336 -7.732 1.00 0.00 C ATOM 0 H LEU A 71 8.215 -7.344 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 71 7.686 -9.667 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.256 -9.491 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.658 -10.778 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 71 9.425 -10.610 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.415 -10.868 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.670 -9.266 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.821 -10.528 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.572 -12.821 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.954 -12.599 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.153 -12.670 -8.666 1.00 0.00 H new ATOM 1178 N GLU A 72 5.196 -8.962 -10.036 1.00 0.00 N ATOM 1179 CA GLU A 72 3.777 -8.664 -9.880 1.00 0.00 C ATOM 1180 C GLU A 72 3.189 -9.741 -8.985 1.00 0.00 C ATOM 1181 O GLU A 72 3.594 -10.901 -9.054 1.00 0.00 O ATOM 1182 CB GLU A 72 2.992 -8.628 -11.201 1.00 0.00 C ATOM 1183 CG GLU A 72 3.162 -7.328 -11.993 1.00 0.00 C ATOM 1184 CD GLU A 72 2.264 -7.317 -13.244 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.049 -7.034 -13.117 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.772 -7.562 -14.366 1.00 0.00 O ATOM 0 H GLU A 72 5.413 -9.604 -10.798 1.00 0.00 H new ATOM 0 HA GLU A 72 3.692 -7.663 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.310 -9.464 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.933 -8.775 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.916 -6.477 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.205 -7.213 -12.289 1.00 0.00 H new ATOM 1193 N ILE A 73 2.214 -9.366 -8.169 1.00 0.00 N ATOM 1194 CA ILE A 73 1.492 -10.270 -7.308 1.00 0.00 C ATOM 1195 C ILE A 73 0.014 -9.946 -7.535 1.00 0.00 C ATOM 1196 O ILE A 73 -0.389 -8.784 -7.484 1.00 0.00 O ATOM 1197 CB ILE A 73 1.897 -10.071 -5.833 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.394 -10.097 -5.425 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.188 -11.137 -4.978 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.294 -8.967 -5.939 1.00 0.00 C ATOM 0 H ILE A 73 1.901 -8.398 -8.091 1.00 0.00 H new ATOM 0 HA ILE A 73 1.711 -11.313 -7.535 1.00 0.00 H new ATOM 0 HB ILE A 73 1.599 -9.036 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.445 -10.097 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.817 -11.043 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.466 -11.008 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.108 -11.029 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.487 -12.130 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.310 -9.117 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.295 -8.970 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.917 -8.010 -5.579 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.795 -10.962 -7.795 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.233 -10.867 -8.019 1.00 0.00 C ATOM 1214 C ILE A 74 -2.843 -11.665 -6.861 1.00 0.00 C ATOM 1215 O ILE A 74 -2.345 -12.748 -6.548 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.574 -11.456 -9.417 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.160 -10.621 -10.650 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.084 -11.710 -9.555 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.663 -10.348 -10.831 1.00 0.00 C ATOM 0 H ILE A 74 -0.452 -11.921 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.622 -9.849 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.976 -12.367 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.522 -11.131 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.676 -9.662 -10.599 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.295 -12.122 -10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.405 -12.417 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.624 -10.771 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.508 -9.754 -11.731 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.286 -9.802 -9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.129 -11.294 -10.924 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.916 -11.183 -6.231 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.607 -11.923 -5.181 1.00 0.00 C ATOM 1233 C VAL A 75 -6.115 -11.869 -5.428 1.00 0.00 C ATOM 1234 O VAL A 75 -6.645 -10.818 -5.800 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.161 -11.481 -3.769 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.673 -11.726 -3.513 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.352 -10.001 -3.500 1.00 0.00 C ATOM 0 H VAL A 75 -4.327 -10.272 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.323 -12.975 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.797 -12.084 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.418 -11.396 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.457 -12.790 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.082 -11.167 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.016 -9.769 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.770 -9.423 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.407 -9.746 -3.599 1.00 0.00 H new ATOM 1247 N THR A 76 -6.790 -13.014 -5.301 1.00 0.00 N ATOM 1248 CA THR A 76 -8.082 -13.282 -5.937 1.00 0.00 C ATOM 1249 C THR A 76 -9.074 -13.858 -4.913 1.00 0.00 C ATOM 1250 O THR A 76 -8.703 -14.095 -3.757 1.00 0.00 O ATOM 1251 CB THR A 76 -7.895 -14.183 -7.192 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.776 -15.558 -6.918 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.642 -13.861 -8.016 1.00 0.00 C ATOM 0 H THR A 76 -6.447 -13.796 -4.743 1.00 0.00 H new ATOM 0 HA THR A 76 -8.515 -12.347 -6.293 1.00 0.00 H new ATOM 0 HB THR A 76 -8.813 -13.962 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.664 -16.050 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.587 -14.534 -8.872 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.692 -12.830 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.755 -13.990 -7.395 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.331 -14.084 -5.321 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.390 -14.707 -4.521 1.00 0.00 C ATOM 1263 C LYS A 77 -12.159 -15.749 -5.338 1.00 0.00 C ATOM 1264 O LYS A 77 -11.857 -15.996 -6.507 1.00 0.00 O ATOM 1265 CB LYS A 77 -12.320 -13.635 -3.948 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.522 -12.672 -3.070 1.00 0.00 C ATOM 1267 CD LYS A 77 -12.460 -11.972 -2.101 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.774 -10.784 -1.410 1.00 0.00 C ATOM 1269 NZ LYS A 77 -12.575 -10.271 -0.266 1.00 0.00 N ATOM 0 H LYS A 77 -10.648 -13.827 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.930 -15.235 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.802 -13.088 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.112 -14.103 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.754 -13.216 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.009 -11.937 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.343 -11.622 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.804 -12.682 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.789 -11.089 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.619 -9.983 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.256 -9.312 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.580 -10.244 -0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.450 -10.898 0.554 1.00 0.00 H new