USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 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 : X 1 MET CE :methyl 141:sc= -0.155 (180deg=-1.16) USER MOD Single : X 1 MET N :NH3+ -172:sc= -0.353 (180deg=-0.428) USER MOD Single : X 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= -0.0325 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.71) USER MOD Single : X 16 LYS NZ :NH3+ 163:sc= -8.5! (180deg=-8.76!) USER MOD Single : X 17 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.12) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : X 25 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.342) USER MOD Single : X 27 LYS NZ :NH3+ -158:sc= -0.122 (180deg=-0.718) USER MOD Single : X 28 TYR OH : rot 100:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 161:sc= 0.134 (180deg=0.0504) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 43:sc= 0.874 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN :FLIP amide:sc= -1.91! C(o=-2.5!,f=-1.9!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -135:sc= -5.36! (180deg=-6.85!) USER MOD Single : X 62 CYS SG : rot 81:sc= 0.501 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -0.639 K(o=-0.64,f=-3.9!) USER MOD Single : X 69 THR OG1 : rot 100:sc= 0.789 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.1!) USER MOD Single : X 87 LYS NZ :NH3+ 166:sc= 1.15 (180deg=0.721) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -1.1! C(o=-1.1!,f=-5.2!) USER MOD Single : X 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 74.392 -6.194 -2.079 1.00 1.00 N ATOM 2 CA MET X 1 73.208 -7.084 -1.915 1.00 1.00 C ATOM 3 C MET X 1 73.173 -8.102 -3.058 1.00 1.00 C ATOM 4 O MET X 1 74.081 -8.179 -3.861 1.00 1.00 O ATOM 5 CB MET X 1 71.930 -6.243 -1.943 1.00 1.00 C ATOM 6 CG MET X 1 71.846 -5.402 -0.668 1.00 1.00 C ATOM 7 SD MET X 1 70.401 -4.316 -0.757 1.00 1.00 S ATOM 8 CE MET X 1 69.139 -5.612 -0.699 1.00 1.00 C ATOM 0 H1 MET X 1 74.494 -5.593 -1.236 1.00 1.00 H new ATOM 0 H2 MET X 1 75.248 -6.773 -2.197 1.00 1.00 H new ATOM 0 H3 MET X 1 74.262 -5.594 -2.918 1.00 1.00 H new ATOM 0 HA MET X 1 73.277 -7.609 -0.962 1.00 1.00 H new ATOM 0 HB2 MET X 1 71.927 -5.595 -2.820 1.00 1.00 H new ATOM 0 HB3 MET X 1 71.057 -6.891 -2.022 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.773 -6.051 0.205 1.00 1.00 H new ATOM 0 HG3 MET X 1 72.753 -4.809 -0.550 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.303 -5.278 -0.085 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.787 -5.822 -1.709 1.00 1.00 H new ATOM 0 HE3 MET X 1 69.567 -6.517 -0.268 1.00 1.00 H new ATOM 20 N GLY X 2 72.131 -8.884 -3.137 1.00 1.00 N ATOM 21 CA GLY X 2 72.039 -9.896 -4.226 1.00 1.00 C ATOM 22 C GLY X 2 72.942 -11.087 -3.896 1.00 1.00 C ATOM 23 O GLY X 2 73.262 -11.890 -4.750 1.00 1.00 O ATOM 0 H GLY X 2 71.339 -8.865 -2.494 1.00 1.00 H new ATOM 0 HA2 GLY X 2 71.008 -10.229 -4.341 1.00 1.00 H new ATOM 0 HA3 GLY X 2 72.338 -9.452 -5.175 1.00 1.00 H new ATOM 27 N GLN X 3 73.352 -11.208 -2.664 1.00 1.00 N ATOM 28 CA GLN X 3 74.234 -12.347 -2.280 1.00 1.00 C ATOM 29 C GLN X 3 73.666 -13.037 -1.039 1.00 1.00 C ATOM 30 O GLN X 3 72.917 -12.453 -0.280 1.00 1.00 O ATOM 31 CB GLN X 3 75.640 -11.824 -1.975 1.00 1.00 C ATOM 32 CG GLN X 3 76.291 -11.322 -3.266 1.00 1.00 C ATOM 33 CD GLN X 3 77.660 -10.722 -2.948 1.00 1.00 C ATOM 34 OE1 GLN X 3 77.758 -9.755 -2.218 1.00 1.00 O ATOM 35 NE2 GLN X 3 78.732 -11.256 -3.469 1.00 1.00 N ATOM 0 H GLN X 3 73.115 -10.568 -1.906 1.00 1.00 H new ATOM 0 HA GLN X 3 74.283 -13.061 -3.102 1.00 1.00 H new ATOM 0 HB2 GLN X 3 75.588 -11.017 -1.244 1.00 1.00 H new ATOM 0 HB3 GLN X 3 76.246 -12.615 -1.534 1.00 1.00 H new ATOM 0 HG2 GLN X 3 76.398 -12.143 -3.975 1.00 1.00 H new ATOM 0 HG3 GLN X 3 75.655 -10.574 -3.739 1.00 1.00 H new ATOM 0 HE21 GLN X 3 78.651 -12.067 -4.082 1.00 1.00 H new ATOM 0 HE22 GLN X 3 79.650 -10.862 -3.263 1.00 1.00 H new ATOM 44 N GLU X 4 74.013 -14.276 -0.825 1.00 1.00 N ATOM 45 CA GLU X 4 73.494 -15.002 0.368 1.00 1.00 C ATOM 46 C GLU X 4 74.175 -14.469 1.630 1.00 1.00 C ATOM 47 O GLU X 4 75.335 -14.106 1.615 1.00 1.00 O ATOM 48 CB GLU X 4 73.790 -16.497 0.224 1.00 1.00 C ATOM 49 CG GLU X 4 72.947 -17.077 -0.913 1.00 1.00 C ATOM 50 CD GLU X 4 73.332 -18.541 -1.138 1.00 1.00 C ATOM 51 OE1 GLU X 4 74.179 -19.029 -0.409 1.00 1.00 O ATOM 52 OE2 GLU X 4 72.772 -19.149 -2.036 1.00 1.00 O ATOM 0 H GLU X 4 74.634 -14.818 -1.426 1.00 1.00 H new ATOM 0 HA GLU X 4 72.418 -14.848 0.444 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.850 -16.651 0.020 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.567 -17.014 1.157 1.00 1.00 H new ATOM 0 HG2 GLU X 4 71.887 -17.002 -0.669 1.00 1.00 H new ATOM 0 HG3 GLU X 4 73.105 -16.504 -1.826 1.00 1.00 H new ATOM 59 N LEU X 5 73.463 -14.414 2.722 1.00 1.00 N ATOM 60 CA LEU X 5 74.067 -13.897 3.982 1.00 1.00 C ATOM 61 C LEU X 5 74.723 -15.050 4.745 1.00 1.00 C ATOM 62 O LEU X 5 74.078 -15.755 5.497 1.00 1.00 O ATOM 63 CB LEU X 5 72.978 -13.263 4.849 1.00 1.00 C ATOM 64 CG LEU X 5 72.465 -11.989 4.176 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.245 -11.465 4.937 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.568 -10.927 4.188 1.00 1.00 C ATOM 0 H LEU X 5 72.488 -14.705 2.796 1.00 1.00 H new ATOM 0 HA LEU X 5 74.820 -13.147 3.742 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.158 -13.966 4.993 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.375 -13.030 5.837 1.00 1.00 H new ATOM 0 HG LEU X 5 72.183 -12.210 3.146 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.879 -10.557 4.457 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.460 -12.221 4.930 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.526 -11.244 5.967 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.204 -10.018 3.709 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.849 -10.706 5.218 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.437 -11.299 3.646 1.00 1.00 H new ATOM 78 N SER X 6 75.999 -15.247 4.560 1.00 1.00 N ATOM 79 CA SER X 6 76.699 -16.344 5.286 1.00 1.00 C ATOM 80 C SER X 6 76.982 -15.908 6.725 1.00 1.00 C ATOM 81 O SER X 6 76.710 -14.788 7.108 1.00 1.00 O ATOM 82 CB SER X 6 78.018 -16.661 4.581 1.00 1.00 C ATOM 83 OG SER X 6 79.028 -15.782 5.060 1.00 1.00 O ATOM 0 H SER X 6 76.588 -14.695 3.937 1.00 1.00 H new ATOM 0 HA SER X 6 76.068 -17.233 5.295 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.303 -17.697 4.766 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.904 -16.549 3.503 1.00 1.00 H new ATOM 0 HG SER X 6 79.876 -15.983 4.612 1.00 1.00 H new ATOM 89 N GLN X 7 77.526 -16.785 7.524 1.00 1.00 N ATOM 90 CA GLN X 7 77.822 -16.420 8.938 1.00 1.00 C ATOM 91 C GLN X 7 78.679 -15.153 8.968 1.00 1.00 C ATOM 92 O GLN X 7 78.425 -14.238 9.726 1.00 1.00 O ATOM 93 CB GLN X 7 78.580 -17.565 9.614 1.00 1.00 C ATOM 94 CG GLN X 7 77.657 -18.778 9.757 1.00 1.00 C ATOM 95 CD GLN X 7 78.438 -19.948 10.357 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.556 -20.214 9.961 1.00 1.00 O ATOM 97 NE2 GLN X 7 77.895 -20.663 11.303 1.00 1.00 N ATOM 0 H GLN X 7 77.778 -17.737 7.259 1.00 1.00 H new ATOM 0 HA GLN X 7 76.888 -16.240 9.470 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.458 -17.831 9.025 1.00 1.00 H new ATOM 0 HB3 GLN X 7 78.937 -17.249 10.594 1.00 1.00 H new ATOM 0 HG2 GLN X 7 76.808 -18.529 10.394 1.00 1.00 H new ATOM 0 HG3 GLN X 7 77.254 -19.058 8.784 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.957 -20.440 11.636 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.408 -21.445 11.710 1.00 1.00 H new ATOM 106 N HIS X 8 79.694 -15.092 8.150 1.00 1.00 N ATOM 107 CA HIS X 8 80.561 -13.882 8.125 1.00 1.00 C ATOM 108 C HIS X 8 79.752 -12.681 7.630 1.00 1.00 C ATOM 109 O HIS X 8 79.848 -11.593 8.160 1.00 1.00 O ATOM 110 CB HIS X 8 81.744 -14.121 7.185 1.00 1.00 C ATOM 111 CG HIS X 8 82.656 -12.925 7.212 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.606 -12.741 8.207 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.777 -11.844 6.373 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.251 -11.589 7.945 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.783 -11.005 6.840 1.00 1.00 N ATOM 0 H HIS X 8 79.960 -15.829 7.497 1.00 1.00 H new ATOM 0 HA HIS X 8 80.930 -13.681 9.131 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.289 -15.014 7.489 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.386 -14.296 6.170 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.183 -11.672 5.488 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.048 -11.187 8.553 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.097 -10.128 6.425 1.00 1.00 H new ATOM 123 N GLU X 9 78.952 -12.871 6.615 1.00 1.00 N ATOM 124 CA GLU X 9 78.141 -11.739 6.086 1.00 1.00 C ATOM 125 C GLU X 9 77.214 -11.219 7.185 1.00 1.00 C ATOM 126 O GLU X 9 77.011 -10.029 7.330 1.00 1.00 O ATOM 127 CB GLU X 9 77.306 -12.221 4.897 1.00 1.00 C ATOM 128 CG GLU X 9 78.236 -12.712 3.785 1.00 1.00 C ATOM 129 CD GLU X 9 79.016 -11.527 3.214 1.00 1.00 C ATOM 130 OE1 GLU X 9 78.577 -10.405 3.406 1.00 1.00 O ATOM 131 OE2 GLU X 9 80.041 -11.761 2.593 1.00 1.00 O ATOM 0 H GLU X 9 78.826 -13.760 6.131 1.00 1.00 H new ATOM 0 HA GLU X 9 78.804 -10.937 5.762 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.639 -13.025 5.209 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.677 -11.411 4.528 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.925 -13.460 4.176 1.00 1.00 H new ATOM 0 HG3 GLU X 9 77.656 -13.193 2.997 1.00 1.00 H new ATOM 138 N ARG X 10 76.649 -12.102 7.964 1.00 1.00 N ATOM 139 CA ARG X 10 75.741 -11.661 9.059 1.00 1.00 C ATOM 140 C ARG X 10 76.503 -10.748 10.022 1.00 1.00 C ATOM 141 O ARG X 10 75.996 -9.739 10.469 1.00 1.00 O ATOM 142 CB ARG X 10 75.226 -12.885 9.818 1.00 1.00 C ATOM 143 CG ARG X 10 74.223 -13.643 8.946 1.00 1.00 C ATOM 144 CD ARG X 10 73.676 -14.844 9.721 1.00 1.00 C ATOM 145 NE ARG X 10 72.656 -15.548 8.892 1.00 1.00 N ATOM 146 CZ ARG X 10 72.187 -16.703 9.278 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.608 -17.240 10.390 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.295 -17.320 8.552 1.00 1.00 N ATOM 0 H ARG X 10 76.778 -13.111 7.888 1.00 1.00 H new ATOM 0 HA ARG X 10 74.899 -11.115 8.633 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.058 -13.537 10.084 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.753 -12.575 10.750 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.406 -12.982 8.655 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.705 -13.978 8.027 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.487 -15.526 9.975 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.232 -14.513 10.660 1.00 1.00 H new ATOM 0 HE ARG X 10 72.325 -15.127 8.024 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.304 -16.757 10.958 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.241 -18.143 10.691 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.965 -16.899 7.683 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.928 -18.223 8.853 1.00 1.00 H new ATOM 162 N TYR X 11 77.719 -11.095 10.347 1.00 1.00 N ATOM 163 CA TYR X 11 78.515 -10.238 11.269 1.00 1.00 C ATOM 164 C TYR X 11 78.663 -8.841 10.664 1.00 1.00 C ATOM 165 O TYR X 11 78.670 -7.848 11.366 1.00 1.00 O ATOM 166 CB TYR X 11 79.900 -10.855 11.471 1.00 1.00 C ATOM 167 CG TYR X 11 80.735 -9.943 12.339 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.516 -9.898 13.721 1.00 1.00 C ATOM 169 CD2 TYR X 11 81.728 -9.142 11.762 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.290 -9.054 14.526 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.502 -8.298 12.566 1.00 1.00 C ATOM 172 CZ TYR X 11 82.283 -8.253 13.948 1.00 1.00 C ATOM 173 OH TYR X 11 83.046 -7.421 14.742 1.00 1.00 O ATOM 0 H TYR X 11 78.194 -11.934 10.014 1.00 1.00 H new ATOM 0 HA TYR X 11 78.006 -10.167 12.230 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.809 -11.836 11.938 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.387 -11.005 10.508 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.749 -10.515 14.166 1.00 1.00 H new ATOM 0 HD2 TYR X 11 81.897 -9.176 10.696 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.122 -9.020 15.592 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.268 -7.681 12.120 1.00 1.00 H new ATOM 0 HH TYR X 11 83.689 -6.936 14.184 1.00 1.00 H new ATOM 183 N VAL X 12 78.782 -8.753 9.368 1.00 1.00 N ATOM 184 CA VAL X 12 78.923 -7.416 8.722 1.00 1.00 C ATOM 185 C VAL X 12 77.688 -6.572 9.033 1.00 1.00 C ATOM 186 O VAL X 12 77.787 -5.409 9.372 1.00 1.00 O ATOM 187 CB VAL X 12 79.051 -7.590 7.209 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.216 -6.219 6.551 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.276 -8.454 6.898 1.00 1.00 C ATOM 0 H VAL X 12 78.788 -9.547 8.728 1.00 1.00 H new ATOM 0 HA VAL X 12 79.813 -6.918 9.106 1.00 1.00 H new ATOM 0 HB VAL X 12 78.155 -8.075 6.821 1.00 1.00 H new ATOM 0 HG11 VAL X 12 79.307 -6.342 5.472 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.346 -5.602 6.773 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.113 -5.735 6.938 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.369 -8.579 5.819 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.172 -7.968 7.285 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.161 -9.431 7.368 1.00 1.00 H new ATOM 199 N GLU X 13 76.523 -7.148 8.921 1.00 1.00 N ATOM 200 CA GLU X 13 75.282 -6.381 9.215 1.00 1.00 C ATOM 201 C GLU X 13 75.364 -5.809 10.632 1.00 1.00 C ATOM 202 O GLU X 13 75.095 -4.647 10.859 1.00 1.00 O ATOM 203 CB GLU X 13 74.069 -7.306 9.106 1.00 1.00 C ATOM 204 CG GLU X 13 72.786 -6.487 9.266 1.00 1.00 C ATOM 205 CD GLU X 13 72.577 -5.616 8.026 1.00 1.00 C ATOM 206 OE1 GLU X 13 73.328 -5.780 7.078 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.669 -4.801 8.045 1.00 1.00 O ATOM 0 H GLU X 13 76.378 -8.117 8.638 1.00 1.00 H new ATOM 0 HA GLU X 13 75.179 -5.567 8.498 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.071 -7.814 8.141 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.118 -8.079 9.873 1.00 1.00 H new ATOM 0 HG2 GLU X 13 71.933 -7.151 9.404 1.00 1.00 H new ATOM 0 HG3 GLU X 13 72.850 -5.861 10.156 1.00 1.00 H new ATOM 214 N GLN X 14 75.734 -6.618 11.590 1.00 1.00 N ATOM 215 CA GLN X 14 75.829 -6.111 12.986 1.00 1.00 C ATOM 216 C GLN X 14 76.961 -5.087 13.064 1.00 1.00 C ATOM 217 O GLN X 14 76.874 -4.104 13.772 1.00 1.00 O ATOM 218 CB GLN X 14 76.128 -7.276 13.933 1.00 1.00 C ATOM 219 CG GLN X 14 76.132 -6.772 15.378 1.00 1.00 C ATOM 220 CD GLN X 14 74.721 -6.325 15.766 1.00 1.00 C ATOM 221 OE1 GLN X 14 73.755 -7.003 15.478 1.00 1.00 O ATOM 222 NE2 GLN X 14 74.560 -5.203 16.413 1.00 1.00 N ATOM 0 H GLN X 14 75.973 -7.602 11.465 1.00 1.00 H new ATOM 0 HA GLN X 14 74.887 -5.645 13.276 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.379 -8.058 13.812 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.094 -7.719 13.688 1.00 1.00 H new ATOM 0 HG2 GLN X 14 76.472 -7.561 16.049 1.00 1.00 H new ATOM 0 HG3 GLN X 14 76.830 -5.941 15.483 1.00 1.00 H new ATOM 0 HE21 GLN X 14 75.371 -4.633 16.655 1.00 1.00 H new ATOM 0 HE22 GLN X 14 73.624 -4.896 16.676 1.00 1.00 H new ATOM 231 N LEU X 15 78.028 -5.316 12.351 1.00 1.00 N ATOM 232 CA LEU X 15 79.166 -4.359 12.394 1.00 1.00 C ATOM 233 C LEU X 15 78.684 -2.997 11.892 1.00 1.00 C ATOM 234 O LEU X 15 79.008 -1.966 12.449 1.00 1.00 O ATOM 235 CB LEU X 15 80.296 -4.866 11.495 1.00 1.00 C ATOM 236 CG LEU X 15 81.408 -3.818 11.434 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.906 -3.519 12.850 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.565 -4.354 10.589 1.00 1.00 C ATOM 0 H LEU X 15 78.160 -6.123 11.742 1.00 1.00 H new ATOM 0 HA LEU X 15 79.536 -4.268 13.415 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.689 -5.806 11.882 1.00 1.00 H new ATOM 0 HB3 LEU X 15 79.916 -5.067 10.493 1.00 1.00 H new ATOM 0 HG LEU X 15 81.022 -2.903 10.985 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.699 -2.772 12.807 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.081 -3.139 13.453 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.293 -4.433 13.300 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.359 -3.608 10.544 1.00 1.00 H new ATOM 0 HD22 LEU X 15 82.951 -5.269 11.039 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.211 -4.568 9.581 1.00 1.00 H new ATOM 250 N LYS X 16 77.911 -2.988 10.840 1.00 1.00 N ATOM 251 CA LYS X 16 77.406 -1.699 10.292 1.00 1.00 C ATOM 252 C LYS X 16 76.542 -1.000 11.342 1.00 1.00 C ATOM 253 O LYS X 16 76.627 0.198 11.533 1.00 1.00 O ATOM 254 CB LYS X 16 76.567 -1.969 9.041 1.00 1.00 C ATOM 255 CG LYS X 16 76.158 -0.640 8.403 1.00 1.00 C ATOM 256 CD LYS X 16 75.322 -0.910 7.151 1.00 1.00 C ATOM 257 CE LYS X 16 74.935 0.417 6.499 1.00 1.00 C ATOM 258 NZ LYS X 16 74.173 0.151 5.246 1.00 1.00 N ATOM 0 H LYS X 16 77.607 -3.821 10.336 1.00 1.00 H new ATOM 0 HA LYS X 16 78.251 -1.061 10.033 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.138 -2.566 8.329 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.681 -2.547 9.303 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.585 -0.044 9.114 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.044 -0.061 8.143 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.888 -1.521 6.448 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.426 -1.473 7.414 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.331 1.009 7.186 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.829 1.000 6.277 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.668 1.013 4.957 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.832 -0.133 4.493 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.487 -0.613 5.412 1.00 1.00 H new ATOM 272 N GLN X 17 75.710 -1.736 12.027 1.00 1.00 N ATOM 273 CA GLN X 17 74.849 -1.108 13.065 1.00 1.00 C ATOM 274 C GLN X 17 75.725 -0.299 14.021 1.00 1.00 C ATOM 275 O GLN X 17 75.455 0.852 14.304 1.00 1.00 O ATOM 276 CB GLN X 17 74.111 -2.198 13.846 1.00 1.00 C ATOM 277 CG GLN X 17 73.085 -2.874 12.935 1.00 1.00 C ATOM 278 CD GLN X 17 72.342 -3.959 13.717 1.00 1.00 C ATOM 279 OE1 GLN X 17 71.823 -3.707 14.786 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.271 -5.166 13.226 1.00 1.00 N ATOM 0 H GLN X 17 75.590 -2.742 11.912 1.00 1.00 H new ATOM 0 HA GLN X 17 74.121 -0.451 12.589 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.821 -2.935 14.221 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.613 -1.765 14.713 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.378 -2.136 12.556 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.584 -3.312 12.070 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.707 -5.378 12.328 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.780 -5.898 13.740 1.00 1.00 H new ATOM 289 N ALA X 18 76.774 -0.893 14.522 1.00 1.00 N ATOM 290 CA ALA X 18 77.687 -0.152 15.434 1.00 1.00 C ATOM 291 C ALA X 18 78.333 1.007 14.675 1.00 1.00 C ATOM 292 O ALA X 18 78.568 2.066 15.222 1.00 1.00 O ATOM 293 CB ALA X 18 78.776 -1.096 15.945 1.00 1.00 C ATOM 0 H ALA X 18 77.037 -1.861 14.338 1.00 1.00 H new ATOM 0 HA ALA X 18 77.119 0.237 16.279 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.444 -0.553 16.613 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.316 -1.923 16.486 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.345 -1.486 15.101 1.00 1.00 H new ATOM 299 N LEU X 19 78.623 0.815 13.418 1.00 1.00 N ATOM 300 CA LEU X 19 79.234 1.915 12.621 1.00 1.00 C ATOM 301 C LEU X 19 78.273 3.104 12.583 1.00 1.00 C ATOM 302 O LEU X 19 78.677 4.246 12.683 1.00 1.00 O ATOM 303 CB LEU X 19 79.502 1.427 11.196 1.00 1.00 C ATOM 304 CG LEU X 19 80.599 2.281 10.559 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.958 1.891 11.144 1.00 1.00 C ATOM 306 CD2 LEU X 19 80.612 2.048 9.046 1.00 1.00 C ATOM 0 H LEU X 19 78.464 -0.054 12.909 1.00 1.00 H new ATOM 0 HA LEU X 19 80.175 2.220 13.080 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.805 0.380 11.210 1.00 1.00 H new ATOM 0 HB3 LEU X 19 78.590 1.487 10.603 1.00 1.00 H new ATOM 0 HG LEU X 19 80.404 3.333 10.765 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.739 2.501 10.689 1.00 1.00 H new ATOM 0 HD12 LEU X 19 81.951 2.056 12.221 1.00 1.00 H new ATOM 0 HD13 LEU X 19 82.154 0.839 10.939 1.00 1.00 H new ATOM 0 HD21 LEU X 19 81.394 2.656 8.591 1.00 1.00 H new ATOM 0 HD22 LEU X 19 80.806 0.995 8.842 1.00 1.00 H new ATOM 0 HD23 LEU X 19 79.645 2.326 8.627 1.00 1.00 H new ATOM 318 N LYS X 20 77.002 2.845 12.438 1.00 1.00 N ATOM 319 CA LYS X 20 76.014 3.960 12.415 1.00 1.00 C ATOM 320 C LYS X 20 76.130 4.765 13.710 1.00 1.00 C ATOM 321 O LYS X 20 76.066 5.978 13.706 1.00 1.00 O ATOM 322 CB LYS X 20 74.601 3.385 12.295 1.00 1.00 C ATOM 323 CG LYS X 20 74.421 2.755 10.912 1.00 1.00 C ATOM 324 CD LYS X 20 72.986 2.245 10.764 1.00 1.00 C ATOM 325 CE LYS X 20 72.809 1.610 9.384 1.00 1.00 C ATOM 326 NZ LYS X 20 71.393 1.178 9.215 1.00 1.00 N ATOM 0 H LYS X 20 76.606 1.911 12.335 1.00 1.00 H new ATOM 0 HA LYS X 20 76.214 4.610 11.563 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.434 2.638 13.071 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.863 4.172 12.446 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.639 3.489 10.136 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.125 1.933 10.781 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.766 1.515 11.543 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.282 3.067 10.890 1.00 1.00 H new ATOM 0 HE2 LYS X 20 73.078 2.324 8.606 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.477 0.755 9.277 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 71.271 0.746 8.277 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.152 0.483 9.950 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 70.766 2.003 9.300 1.00 1.00 H new ATOM 340 N THR X 21 76.302 4.096 14.817 1.00 1.00 N ATOM 341 CA THR X 21 76.429 4.821 16.112 1.00 1.00 C ATOM 342 C THR X 21 77.615 5.783 16.040 1.00 1.00 C ATOM 343 O THR X 21 77.597 6.851 16.618 1.00 1.00 O ATOM 344 CB THR X 21 76.655 3.813 17.240 1.00 1.00 C ATOM 345 OG1 THR X 21 75.711 2.757 17.124 1.00 1.00 O ATOM 346 CG2 THR X 21 76.483 4.507 18.591 1.00 1.00 C ATOM 0 H THR X 21 76.360 3.080 14.880 1.00 1.00 H new ATOM 0 HA THR X 21 75.516 5.384 16.307 1.00 1.00 H new ATOM 0 HB THR X 21 77.665 3.409 17.169 1.00 1.00 H new ATOM 0 HG1 THR X 21 75.855 2.109 17.845 1.00 1.00 H new ATOM 0 HG21 THR X 21 76.644 3.787 19.393 1.00 1.00 H new ATOM 0 HG22 THR X 21 77.207 5.317 18.679 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.474 4.913 18.666 1.00 1.00 H new ATOM 354 N ARG X 22 78.648 5.414 15.331 1.00 1.00 N ATOM 355 CA ARG X 22 79.832 6.310 15.222 1.00 1.00 C ATOM 356 C ARG X 22 79.462 7.532 14.379 1.00 1.00 C ATOM 357 O ARG X 22 80.208 8.487 14.293 1.00 1.00 O ATOM 358 CB ARG X 22 80.981 5.557 14.550 1.00 1.00 C ATOM 359 CG ARG X 22 81.473 4.444 15.478 1.00 1.00 C ATOM 360 CD ARG X 22 82.580 3.652 14.782 1.00 1.00 C ATOM 361 NE ARG X 22 83.073 2.580 15.694 1.00 1.00 N ATOM 362 CZ ARG X 22 83.992 1.746 15.287 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.477 1.847 14.079 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.424 0.811 16.088 1.00 1.00 N ATOM 0 H ARG X 22 78.722 4.532 14.824 1.00 1.00 H new ATOM 0 HA ARG X 22 80.142 6.630 16.217 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.648 5.134 13.602 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.797 6.244 14.324 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.847 4.871 16.409 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.647 3.782 15.740 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.202 3.213 13.858 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.400 4.316 14.508 1.00 1.00 H new ATOM 0 HE ARG X 22 82.692 2.498 16.637 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.138 2.577 13.453 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.195 1.196 13.761 1.00 1.00 H new ATOM 0 HH21 ARG X 22 84.044 0.732 17.031 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.142 0.159 15.771 1.00 1.00 H new ATOM 378 N GLY X 23 78.319 7.508 13.751 1.00 1.00 N ATOM 379 CA GLY X 23 77.907 8.668 12.914 1.00 1.00 C ATOM 380 C GLY X 23 78.179 8.351 11.443 1.00 1.00 C ATOM 381 O GLY X 23 78.692 9.168 10.705 1.00 1.00 O ATOM 0 H GLY X 23 77.653 6.736 13.782 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.848 8.881 13.062 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.456 9.561 13.213 1.00 1.00 H new ATOM 385 N VAL X 24 77.837 7.167 11.011 1.00 1.00 N ATOM 386 CA VAL X 24 78.078 6.794 9.589 1.00 1.00 C ATOM 387 C VAL X 24 76.752 6.398 8.936 1.00 1.00 C ATOM 388 O VAL X 24 75.963 5.670 9.504 1.00 1.00 O ATOM 389 CB VAL X 24 79.049 5.612 9.529 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.996 4.979 8.138 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.469 6.107 9.810 1.00 1.00 C ATOM 0 H VAL X 24 77.401 6.443 11.582 1.00 1.00 H new ATOM 0 HA VAL X 24 78.507 7.643 9.057 1.00 1.00 H new ATOM 0 HB VAL X 24 78.767 4.870 10.276 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.687 4.137 8.095 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.984 4.628 7.936 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.279 5.720 7.390 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.162 5.267 9.768 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.751 6.848 9.062 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.507 6.559 10.801 1.00 1.00 H new ATOM 401 N LYS X 25 76.500 6.873 7.747 1.00 1.00 N ATOM 402 CA LYS X 25 75.226 6.518 7.064 1.00 1.00 C ATOM 403 C LYS X 25 75.530 6.065 5.635 1.00 1.00 C ATOM 404 O LYS X 25 75.649 6.867 4.730 1.00 1.00 O ATOM 405 CB LYS X 25 74.309 7.743 7.026 1.00 1.00 C ATOM 406 CG LYS X 25 73.927 8.138 8.454 1.00 1.00 C ATOM 407 CD LYS X 25 73.036 9.381 8.419 1.00 1.00 C ATOM 408 CE LYS X 25 72.688 9.801 9.849 1.00 1.00 C ATOM 409 NZ LYS X 25 71.828 8.759 10.477 1.00 1.00 N ATOM 0 H LYS X 25 77.120 7.489 7.221 1.00 1.00 H new ATOM 0 HA LYS X 25 74.732 5.712 7.607 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.813 8.573 6.530 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.413 7.522 6.446 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.403 7.316 8.942 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.824 8.337 9.040 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.548 10.194 7.904 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.125 9.173 7.858 1.00 1.00 H new ATOM 0 HE2 LYS X 25 73.599 9.936 10.432 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.170 10.760 9.842 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.359 9.156 11.316 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 71.109 8.445 9.794 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 72.415 7.948 10.759 1.00 1.00 H new ATOM 423 N VAL X 26 75.661 4.783 5.426 1.00 1.00 N ATOM 424 CA VAL X 26 75.962 4.278 4.058 1.00 1.00 C ATOM 425 C VAL X 26 75.026 3.112 3.730 1.00 1.00 C ATOM 426 O VAL X 26 74.414 2.529 4.604 1.00 1.00 O ATOM 427 CB VAL X 26 77.414 3.800 3.997 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.351 4.977 4.280 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.634 2.709 5.047 1.00 1.00 C ATOM 0 H VAL X 26 75.572 4.064 6.144 1.00 1.00 H new ATOM 0 HA VAL X 26 75.814 5.079 3.334 1.00 1.00 H new ATOM 0 HB VAL X 26 77.624 3.399 3.005 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.386 4.637 4.237 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.193 5.755 3.533 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.142 5.378 5.272 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.668 2.367 5.005 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.424 3.111 6.038 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.966 1.871 4.846 1.00 1.00 H new ATOM 439 N LYS X 27 74.909 2.770 2.477 1.00 1.00 N ATOM 440 CA LYS X 27 74.007 1.648 2.090 1.00 1.00 C ATOM 441 C LYS X 27 74.642 0.319 2.500 1.00 1.00 C ATOM 442 O LYS X 27 75.849 0.172 2.501 1.00 1.00 O ATOM 443 CB LYS X 27 73.789 1.666 0.576 1.00 1.00 C ATOM 444 CG LYS X 27 72.977 2.904 0.190 1.00 1.00 C ATOM 445 CD LYS X 27 72.765 2.924 -1.325 1.00 1.00 C ATOM 446 CE LYS X 27 71.935 4.150 -1.708 1.00 1.00 C ATOM 447 NZ LYS X 27 70.619 4.097 -1.010 1.00 1.00 N ATOM 0 H LYS X 27 75.399 3.219 1.703 1.00 1.00 H new ATOM 0 HA LYS X 27 73.048 1.763 2.595 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.749 1.673 0.060 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.265 0.763 0.263 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.015 2.895 0.702 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.498 3.807 0.507 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.727 2.948 -1.837 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.257 2.014 -1.644 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.467 5.062 -1.436 1.00 1.00 H new ATOM 0 HE3 LYS X 27 71.785 4.178 -2.787 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 69.930 4.684 -1.523 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 70.281 3.114 -0.980 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 70.726 4.456 -0.040 1.00 1.00 H new ATOM 461 N TYR X 28 73.842 -0.651 2.846 1.00 1.00 N ATOM 462 CA TYR X 28 74.405 -1.969 3.252 1.00 1.00 C ATOM 463 C TYR X 28 75.236 -2.537 2.101 1.00 1.00 C ATOM 464 O TYR X 28 76.281 -3.121 2.305 1.00 1.00 O ATOM 465 CB TYR X 28 73.263 -2.932 3.586 1.00 1.00 C ATOM 466 CG TYR X 28 73.826 -4.301 3.883 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.684 -4.484 4.975 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.490 -5.388 3.068 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.205 -5.754 5.250 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.012 -6.658 3.344 1.00 1.00 C ATOM 471 CZ TYR X 28 74.869 -6.841 4.435 1.00 1.00 C ATOM 472 OH TYR X 28 75.383 -8.092 4.708 1.00 1.00 O ATOM 0 H TYR X 28 72.824 -0.588 2.865 1.00 1.00 H new ATOM 0 HA TYR X 28 75.037 -1.843 4.131 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.703 -2.564 4.445 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.565 -2.988 2.751 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.944 -3.646 5.605 1.00 1.00 H new ATOM 0 HD2 TYR X 28 72.828 -5.247 2.226 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.867 -5.895 6.092 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.753 -7.496 2.715 1.00 1.00 H new ATOM 0 HH TYR X 28 74.710 -8.626 5.180 1.00 1.00 H new ATOM 482 N ALA X 29 74.777 -2.372 0.889 1.00 1.00 N ATOM 483 CA ALA X 29 75.539 -2.900 -0.276 1.00 1.00 C ATOM 484 C ALA X 29 76.960 -2.338 -0.253 1.00 1.00 C ATOM 485 O ALA X 29 77.894 -2.963 -0.715 1.00 1.00 O ATOM 486 CB ALA X 29 74.846 -2.479 -1.573 1.00 1.00 C ATOM 0 H ALA X 29 73.906 -1.894 0.657 1.00 1.00 H new ATOM 0 HA ALA X 29 75.577 -3.988 -0.221 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.404 -2.866 -2.426 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.833 -2.880 -1.591 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.807 -1.391 -1.628 1.00 1.00 H new ATOM 492 N ASP X 30 77.133 -1.161 0.284 1.00 1.00 N ATOM 493 CA ASP X 30 78.496 -0.564 0.344 1.00 1.00 C ATOM 494 C ASP X 30 79.409 -1.465 1.176 1.00 1.00 C ATOM 495 O ASP X 30 80.542 -1.721 0.817 1.00 1.00 O ATOM 496 CB ASP X 30 78.420 0.820 0.990 1.00 1.00 C ATOM 497 CG ASP X 30 79.822 1.428 1.062 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.646 1.068 0.237 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.048 2.243 1.941 1.00 1.00 O ATOM 0 H ASP X 30 76.390 -0.588 0.683 1.00 1.00 H new ATOM 0 HA ASP X 30 78.897 -0.471 -0.665 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.761 1.467 0.411 1.00 1.00 H new ATOM 0 HB3 ASP X 30 77.994 0.743 1.990 1.00 1.00 H new ATOM 504 N LEU X 31 78.926 -1.950 2.288 1.00 1.00 N ATOM 505 CA LEU X 31 79.765 -2.841 3.138 1.00 1.00 C ATOM 506 C LEU X 31 80.131 -4.099 2.349 1.00 1.00 C ATOM 507 O LEU X 31 81.265 -4.535 2.348 1.00 1.00 O ATOM 508 CB LEU X 31 78.982 -3.234 4.391 1.00 1.00 C ATOM 509 CG LEU X 31 79.083 -2.115 5.429 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.511 -2.054 5.978 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.734 -0.778 4.772 1.00 1.00 C ATOM 0 H LEU X 31 77.988 -1.768 2.644 1.00 1.00 H new ATOM 0 HA LEU X 31 80.675 -2.317 3.429 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.938 -3.416 4.138 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.377 -4.163 4.803 1.00 1.00 H new ATOM 0 HG LEU X 31 78.388 -2.313 6.245 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.583 -1.257 6.718 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.762 -3.006 6.445 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.206 -1.856 5.162 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.806 0.020 5.511 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.430 -0.581 3.956 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.718 -0.819 4.380 1.00 1.00 H new ATOM 523 N LEU X 32 79.179 -4.687 1.678 1.00 1.00 N ATOM 524 CA LEU X 32 79.475 -5.910 0.879 1.00 1.00 C ATOM 525 C LEU X 32 80.458 -5.559 -0.240 1.00 1.00 C ATOM 526 O LEU X 32 81.384 -6.295 -0.518 1.00 1.00 O ATOM 527 CB LEU X 32 78.178 -6.447 0.271 1.00 1.00 C ATOM 528 CG LEU X 32 77.256 -6.942 1.387 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.888 -7.296 0.802 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.869 -8.184 2.039 1.00 1.00 C ATOM 0 H LEU X 32 78.209 -4.374 1.648 1.00 1.00 H new ATOM 0 HA LEU X 32 79.915 -6.671 1.524 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.683 -5.665 -0.304 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.398 -7.260 -0.421 1.00 1.00 H new ATOM 0 HG LEU X 32 77.138 -6.158 2.135 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.232 -7.649 1.598 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.451 -6.412 0.337 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.004 -8.080 0.054 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.214 -8.538 2.835 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.987 -8.967 1.290 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.844 -7.932 2.457 1.00 1.00 H new ATOM 542 N LYS X 33 80.265 -4.442 -0.885 1.00 1.00 N ATOM 543 CA LYS X 33 81.196 -4.044 -1.978 1.00 1.00 C ATOM 544 C LYS X 33 82.592 -3.814 -1.398 1.00 1.00 C ATOM 545 O LYS X 33 83.591 -4.114 -2.022 1.00 1.00 O ATOM 546 CB LYS X 33 80.695 -2.755 -2.633 1.00 1.00 C ATOM 547 CG LYS X 33 79.468 -3.062 -3.493 1.00 1.00 C ATOM 548 CD LYS X 33 78.936 -1.765 -4.107 1.00 1.00 C ATOM 549 CE LYS X 33 77.662 -2.059 -4.901 1.00 1.00 C ATOM 550 NZ LYS X 33 77.133 -0.792 -5.481 1.00 1.00 N ATOM 0 H LYS X 33 79.504 -3.788 -0.703 1.00 1.00 H new ATOM 0 HA LYS X 33 81.239 -4.836 -2.726 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.442 -2.021 -1.868 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.482 -2.317 -3.247 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.730 -3.768 -4.280 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.695 -3.533 -2.887 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.728 -1.038 -3.322 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.690 -1.323 -4.759 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.873 -2.775 -5.696 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.914 -2.515 -4.252 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.482 -1.013 -6.262 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.625 -0.260 -4.746 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.923 -0.218 -5.840 1.00 1.00 H new ATOM 564 N PHE X 34 82.672 -3.285 -0.208 1.00 1.00 N ATOM 565 CA PHE X 34 84.004 -3.033 0.410 1.00 1.00 C ATOM 566 C PHE X 34 84.786 -4.346 0.486 1.00 1.00 C ATOM 567 O PHE X 34 85.948 -4.410 0.134 1.00 1.00 O ATOM 568 CB PHE X 34 83.817 -2.469 1.820 1.00 1.00 C ATOM 569 CG PHE X 34 85.147 -2.447 2.534 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.141 -1.547 2.132 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.384 -3.323 3.600 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.374 -1.525 2.794 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.618 -3.299 4.262 1.00 1.00 C ATOM 574 CZ PHE X 34 87.612 -2.401 3.859 1.00 1.00 C ATOM 0 H PHE X 34 81.871 -3.016 0.364 1.00 1.00 H new ATOM 0 HA PHE X 34 84.555 -2.315 -0.197 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.403 -1.462 1.768 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.104 -3.078 2.375 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.956 -0.870 1.311 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.617 -4.016 3.911 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.142 -0.832 2.483 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.802 -3.974 5.084 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.563 -2.384 4.370 1.00 1.00 H new ATOM 584 N PHE X 35 84.159 -5.395 0.942 1.00 1.00 N ATOM 585 CA PHE X 35 84.867 -6.703 1.037 1.00 1.00 C ATOM 586 C PHE X 35 85.203 -7.200 -0.371 1.00 1.00 C ATOM 587 O PHE X 35 86.278 -7.710 -0.619 1.00 1.00 O ATOM 588 CB PHE X 35 83.964 -7.723 1.733 1.00 1.00 C ATOM 589 CG PHE X 35 83.948 -7.448 3.218 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.051 -7.798 4.005 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.830 -6.845 3.806 1.00 1.00 C ATOM 592 CE1 PHE X 35 85.036 -7.544 5.382 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.815 -6.590 5.183 1.00 1.00 C ATOM 594 CZ PHE X 35 83.918 -6.940 5.970 1.00 1.00 C ATOM 0 H PHE X 35 83.188 -5.403 1.253 1.00 1.00 H new ATOM 0 HA PHE X 35 85.785 -6.579 1.611 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.953 -7.664 1.330 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.325 -8.734 1.543 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.913 -8.264 3.551 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.979 -6.576 3.198 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.887 -7.814 5.990 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.953 -6.124 5.637 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.907 -6.744 7.032 1.00 1.00 H new ATOM 604 N ASP X 36 84.291 -7.060 -1.294 1.00 1.00 N ATOM 605 CA ASP X 36 84.561 -7.529 -2.681 1.00 1.00 C ATOM 606 C ASP X 36 85.722 -6.726 -3.268 1.00 1.00 C ATOM 607 O ASP X 36 86.614 -7.269 -3.892 1.00 1.00 O ATOM 608 CB ASP X 36 83.311 -7.326 -3.543 1.00 1.00 C ATOM 609 CG ASP X 36 82.262 -8.377 -3.178 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.583 -9.263 -2.402 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.153 -8.279 -3.680 1.00 1.00 O ATOM 0 H ASP X 36 83.372 -6.642 -1.147 1.00 1.00 H new ATOM 0 HA ASP X 36 84.820 -8.588 -2.665 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.908 -6.325 -3.387 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.568 -7.405 -4.599 1.00 1.00 H new ATOM 616 N PHE X 37 85.719 -5.436 -3.075 1.00 1.00 N ATOM 617 CA PHE X 37 86.822 -4.595 -3.620 1.00 1.00 C ATOM 618 C PHE X 37 88.150 -5.029 -3.000 1.00 1.00 C ATOM 619 O PHE X 37 89.153 -5.152 -3.676 1.00 1.00 O ATOM 620 CB PHE X 37 86.558 -3.126 -3.286 1.00 1.00 C ATOM 621 CG PHE X 37 87.773 -2.301 -3.637 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.216 -2.239 -4.964 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.457 -1.599 -2.638 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.344 -1.475 -5.291 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.584 -0.836 -2.964 1.00 1.00 C ATOM 626 CZ PHE X 37 90.027 -0.773 -4.291 1.00 1.00 C ATOM 0 H PHE X 37 84.999 -4.927 -2.562 1.00 1.00 H new ATOM 0 HA PHE X 37 86.870 -4.718 -4.702 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.690 -2.767 -3.839 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.327 -3.019 -2.226 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.688 -2.780 -5.735 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.115 -1.646 -1.615 1.00 1.00 H new ATOM 0 HE1 PHE X 37 89.686 -1.428 -6.314 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.112 -0.296 -2.192 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.896 -0.183 -4.543 1.00 1.00 H new ATOM 636 N VAL X 38 88.167 -5.263 -1.717 1.00 1.00 N ATOM 637 CA VAL X 38 89.434 -5.679 -1.052 1.00 1.00 C ATOM 638 C VAL X 38 89.939 -6.980 -1.681 1.00 1.00 C ATOM 639 O VAL X 38 91.099 -7.108 -2.017 1.00 1.00 O ATOM 640 CB VAL X 38 89.178 -5.901 0.441 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.490 -6.270 1.135 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.619 -4.617 1.056 1.00 1.00 C ATOM 0 H VAL X 38 87.358 -5.184 -1.100 1.00 1.00 H new ATOM 0 HA VAL X 38 90.184 -4.898 -1.181 1.00 1.00 H new ATOM 0 HB VAL X 38 88.460 -6.710 0.571 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.307 -6.428 2.198 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.889 -7.184 0.696 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.209 -5.461 1.007 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.436 -4.773 2.119 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.338 -3.808 0.926 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.684 -4.354 0.561 1.00 1.00 H new ATOM 652 N LYS X 39 89.076 -7.947 -1.843 1.00 1.00 N ATOM 653 CA LYS X 39 89.508 -9.232 -2.461 1.00 1.00 C ATOM 654 C LYS X 39 89.853 -8.998 -3.933 1.00 1.00 C ATOM 655 O LYS X 39 90.774 -9.584 -4.467 1.00 1.00 O ATOM 656 CB LYS X 39 88.372 -10.253 -2.360 1.00 1.00 C ATOM 657 CG LYS X 39 88.147 -10.623 -0.893 1.00 1.00 C ATOM 658 CD LYS X 39 86.959 -11.581 -0.783 1.00 1.00 C ATOM 659 CE LYS X 39 86.785 -12.015 0.674 1.00 1.00 C ATOM 660 NZ LYS X 39 85.605 -12.919 0.784 1.00 1.00 N ATOM 0 H LYS X 39 88.093 -7.902 -1.575 1.00 1.00 H new ATOM 0 HA LYS X 39 90.386 -9.611 -1.937 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.458 -9.839 -2.786 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.618 -11.144 -2.937 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.043 -11.090 -0.483 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.959 -9.725 -0.305 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.051 -11.094 -1.139 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.122 -12.453 -1.416 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.682 -12.526 1.022 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.648 -11.141 1.311 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.485 -13.215 1.774 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.752 -12.416 0.467 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.754 -13.758 0.188 1.00 1.00 H new ATOM 674 N ASP X 40 89.120 -8.144 -4.592 1.00 1.00 N ATOM 675 CA ASP X 40 89.405 -7.865 -6.028 1.00 1.00 C ATOM 676 C ASP X 40 90.730 -7.108 -6.152 1.00 1.00 C ATOM 677 O ASP X 40 91.341 -7.078 -7.202 1.00 1.00 O ATOM 678 CB ASP X 40 88.276 -7.014 -6.613 1.00 1.00 C ATOM 679 CG ASP X 40 86.972 -7.816 -6.599 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.043 -9.019 -6.411 1.00 1.00 O ATOM 681 OD2 ASP X 40 85.927 -7.213 -6.777 1.00 1.00 O ATOM 0 H ASP X 40 88.335 -7.626 -4.198 1.00 1.00 H new ATOM 0 HA ASP X 40 89.474 -8.806 -6.573 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.159 -6.099 -6.033 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.521 -6.716 -7.632 1.00 1.00 H new ATOM 686 N THR X 41 91.179 -6.495 -5.091 1.00 1.00 N ATOM 687 CA THR X 41 92.430 -5.691 -5.171 1.00 1.00 C ATOM 688 C THR X 41 93.559 -6.561 -5.729 1.00 1.00 C ATOM 689 O THR X 41 94.279 -6.164 -6.624 1.00 1.00 O ATOM 690 CB THR X 41 92.811 -5.197 -3.774 1.00 1.00 C ATOM 691 OG1 THR X 41 91.766 -4.382 -3.261 1.00 1.00 O ATOM 692 CG2 THR X 41 94.104 -4.383 -3.852 1.00 1.00 C ATOM 0 H THR X 41 90.734 -6.516 -4.174 1.00 1.00 H new ATOM 0 HA THR X 41 92.270 -4.835 -5.827 1.00 1.00 H new ATOM 0 HB THR X 41 92.963 -6.052 -3.115 1.00 1.00 H new ATOM 0 HG1 THR X 41 90.900 -4.797 -3.459 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.374 -4.032 -2.856 1.00 1.00 H new ATOM 0 HG22 THR X 41 94.905 -5.009 -4.245 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.956 -3.527 -4.510 1.00 1.00 H new ATOM 700 N CYS X 42 93.719 -7.747 -5.208 1.00 1.00 N ATOM 701 CA CYS X 42 94.822 -8.629 -5.685 1.00 1.00 C ATOM 702 C CYS X 42 94.231 -9.915 -6.267 1.00 1.00 C ATOM 703 O CYS X 42 94.359 -10.190 -7.443 1.00 1.00 O ATOM 704 CB CYS X 42 95.743 -8.974 -4.514 1.00 1.00 C ATOM 705 SG CYS X 42 97.274 -8.019 -4.650 1.00 1.00 S ATOM 0 H CYS X 42 93.134 -8.143 -4.473 1.00 1.00 H new ATOM 0 HA CYS X 42 95.394 -8.111 -6.455 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.246 -8.753 -3.569 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.966 -10.041 -4.515 1.00 1.00 H new ATOM 0 HG CYS X 42 98.057 -8.310 -3.654 1.00 1.00 H new ATOM 711 N PRO X 43 93.588 -10.694 -5.441 1.00 1.00 N ATOM 712 CA PRO X 43 92.978 -11.988 -5.858 1.00 1.00 C ATOM 713 C PRO X 43 92.298 -11.892 -7.228 1.00 1.00 C ATOM 714 O PRO X 43 92.290 -12.833 -7.996 1.00 1.00 O ATOM 715 CB PRO X 43 91.946 -12.269 -4.766 1.00 1.00 C ATOM 716 CG PRO X 43 92.440 -11.543 -3.557 1.00 1.00 C ATOM 717 CD PRO X 43 93.373 -10.421 -4.011 1.00 1.00 C ATOM 0 HA PRO X 43 93.725 -12.775 -5.964 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.957 -11.916 -5.060 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.859 -13.338 -4.574 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.602 -11.134 -2.993 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.967 -12.228 -2.893 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.923 -9.440 -3.855 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.311 -10.433 -3.457 1.00 1.00 H new ATOM 725 N TRP X 44 91.729 -10.759 -7.541 1.00 1.00 N ATOM 726 CA TRP X 44 91.046 -10.605 -8.857 1.00 1.00 C ATOM 727 C TRP X 44 91.002 -9.122 -9.239 1.00 1.00 C ATOM 728 O TRP X 44 90.181 -8.370 -8.753 1.00 1.00 O ATOM 729 CB TRP X 44 89.620 -11.148 -8.754 1.00 1.00 C ATOM 730 CG TRP X 44 89.666 -12.596 -8.390 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.130 -13.585 -9.188 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.241 -13.235 -7.151 1.00 1.00 C ATOM 733 NE1 TRP X 44 90.016 -14.790 -8.517 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.473 -14.626 -7.258 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.680 -12.746 -5.957 1.00 1.00 C ATOM 736 CZ2 TRP X 44 89.162 -15.503 -6.217 1.00 1.00 C ATOM 737 CZ3 TRP X 44 88.367 -13.624 -4.907 1.00 1.00 C ATOM 738 CH2 TRP X 44 88.606 -15.000 -5.037 1.00 1.00 C ATOM 0 H TRP X 44 91.708 -9.934 -6.942 1.00 1.00 H new ATOM 0 HA TRP X 44 91.593 -11.159 -9.619 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.060 -10.590 -8.003 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.099 -11.016 -9.703 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.525 -13.455 -10.185 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.299 -15.690 -8.905 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.489 -11.689 -5.847 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 89.349 -16.561 -6.322 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.940 -13.237 -3.994 1.00 1.00 H new ATOM 0 HH2 TRP X 44 88.361 -15.670 -4.226 1.00 1.00 H new ATOM 749 N PHE X 45 91.879 -8.699 -10.106 1.00 1.00 N ATOM 750 CA PHE X 45 91.890 -7.267 -10.525 1.00 1.00 C ATOM 751 C PHE X 45 90.672 -6.972 -11.405 1.00 1.00 C ATOM 752 O PHE X 45 90.059 -5.928 -11.298 1.00 1.00 O ATOM 753 CB PHE X 45 93.168 -6.977 -11.314 1.00 1.00 C ATOM 754 CG PHE X 45 94.212 -8.017 -10.985 1.00 1.00 C ATOM 755 CD1 PHE X 45 94.755 -8.083 -9.696 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.638 -8.916 -11.970 1.00 1.00 C ATOM 757 CE1 PHE X 45 95.724 -9.046 -9.392 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.608 -9.880 -11.667 1.00 1.00 C ATOM 759 CZ PHE X 45 96.151 -9.945 -10.378 1.00 1.00 C ATOM 0 H PHE X 45 92.591 -9.284 -10.544 1.00 1.00 H new ATOM 0 HA PHE X 45 91.854 -6.634 -9.638 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.957 -6.984 -12.383 1.00 1.00 H new ATOM 0 HB3 PHE X 45 93.541 -5.982 -11.069 1.00 1.00 H new ATOM 0 HD1 PHE X 45 94.426 -7.390 -8.936 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.219 -8.866 -12.964 1.00 1.00 H new ATOM 0 HE1 PHE X 45 96.142 -9.096 -8.398 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.937 -10.573 -12.427 1.00 1.00 H new ATOM 0 HZ PHE X 45 96.899 -10.688 -10.144 1.00 1.00 H new ATOM 769 N PRO X 46 90.330 -7.885 -12.272 1.00 1.00 N ATOM 770 CA PRO X 46 89.181 -7.716 -13.211 1.00 1.00 C ATOM 771 C PRO X 46 87.849 -7.536 -12.476 1.00 1.00 C ATOM 772 O PRO X 46 86.975 -6.821 -12.925 1.00 1.00 O ATOM 773 CB PRO X 46 89.169 -9.014 -14.027 1.00 1.00 C ATOM 774 CG PRO X 46 90.517 -9.627 -13.838 1.00 1.00 C ATOM 775 CD PRO X 46 91.000 -9.180 -12.451 1.00 1.00 C ATOM 0 HA PRO X 46 89.296 -6.821 -13.823 1.00 1.00 H new ATOM 0 HB2 PRO X 46 88.383 -9.685 -13.682 1.00 1.00 H new ATOM 0 HB3 PRO X 46 88.976 -8.812 -15.080 1.00 1.00 H new ATOM 0 HG2 PRO X 46 90.462 -10.714 -13.900 1.00 1.00 H new ATOM 0 HG3 PRO X 46 91.207 -9.298 -14.615 1.00 1.00 H new ATOM 0 HD2 PRO X 46 90.717 -9.892 -11.676 1.00 1.00 H new ATOM 0 HD3 PRO X 46 92.085 -9.082 -12.413 1.00 1.00 H new ATOM 783 N GLN X 47 87.687 -8.181 -11.355 1.00 1.00 N ATOM 784 CA GLN X 47 86.408 -8.057 -10.600 1.00 1.00 C ATOM 785 C GLN X 47 86.245 -6.620 -10.095 1.00 1.00 C ATOM 786 O GLN X 47 87.103 -6.089 -9.418 1.00 1.00 O ATOM 787 CB GLN X 47 86.423 -9.017 -9.409 1.00 1.00 C ATOM 788 CG GLN X 47 86.252 -10.452 -9.911 1.00 1.00 C ATOM 789 CD GLN X 47 86.463 -11.426 -8.750 1.00 1.00 C ATOM 790 OE1 GLN X 47 86.450 -12.710 -8.983 1.00 1.00 O flip ATOM 791 NE2 GLN X 47 86.642 -11.015 -7.621 1.00 1.00 N flip ATOM 0 H GLN X 47 88.385 -8.790 -10.928 1.00 1.00 H new ATOM 0 HA GLN X 47 85.575 -8.306 -11.258 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.361 -8.921 -8.862 1.00 1.00 H new ATOM 0 HB3 GLN X 47 85.622 -8.765 -8.715 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.256 -10.584 -10.335 1.00 1.00 H new ATOM 0 HG3 GLN X 47 86.967 -10.658 -10.707 1.00 1.00 H new ATOM 0 HE21 GLN X 47 86.652 -10.011 -7.439 1.00 1.00 H new ATOM 0 HE22 GLN X 47 86.782 -11.674 -6.855 1.00 1.00 H new ATOM 800 N GLU X 48 85.152 -5.986 -10.423 1.00 1.00 N ATOM 801 CA GLU X 48 84.936 -4.584 -9.964 1.00 1.00 C ATOM 802 C GLU X 48 83.453 -4.360 -9.658 1.00 1.00 C ATOM 803 O GLU X 48 82.628 -5.226 -9.873 1.00 1.00 O ATOM 804 CB GLU X 48 85.380 -3.613 -11.060 1.00 1.00 C ATOM 805 CG GLU X 48 86.904 -3.648 -11.187 1.00 1.00 C ATOM 806 CD GLU X 48 87.352 -2.643 -12.250 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.491 -2.005 -12.833 1.00 1.00 O ATOM 808 OE2 GLU X 48 88.548 -2.529 -12.462 1.00 1.00 O ATOM 0 H GLU X 48 84.399 -6.378 -10.989 1.00 1.00 H new ATOM 0 HA GLU X 48 85.521 -4.409 -9.061 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.919 -3.885 -12.010 1.00 1.00 H new ATOM 0 HB3 GLU X 48 85.048 -2.603 -10.822 1.00 1.00 H new ATOM 0 HG2 GLU X 48 87.365 -3.409 -10.229 1.00 1.00 H new ATOM 0 HG3 GLU X 48 87.234 -4.651 -11.458 1.00 1.00 H new ATOM 815 N GLY X 49 83.110 -3.208 -9.151 1.00 1.00 N ATOM 816 CA GLY X 49 81.682 -2.933 -8.823 1.00 1.00 C ATOM 817 C GLY X 49 81.447 -1.422 -8.756 1.00 1.00 C ATOM 818 O GLY X 49 82.378 -0.643 -8.696 1.00 1.00 O ATOM 0 H GLY X 49 83.756 -2.445 -8.950 1.00 1.00 H new ATOM 0 HA2 GLY X 49 81.034 -3.378 -9.578 1.00 1.00 H new ATOM 0 HA3 GLY X 49 81.423 -3.393 -7.869 1.00 1.00 H new ATOM 822 N THR X 50 80.213 -1.000 -8.766 1.00 1.00 N ATOM 823 CA THR X 50 79.928 0.461 -8.700 1.00 1.00 C ATOM 824 C THR X 50 80.283 0.985 -7.307 1.00 1.00 C ATOM 825 O THR X 50 79.994 0.359 -6.306 1.00 1.00 O ATOM 826 CB THR X 50 78.443 0.708 -8.976 1.00 1.00 C ATOM 827 OG1 THR X 50 78.171 0.459 -10.347 1.00 1.00 O ATOM 828 CG2 THR X 50 78.093 2.158 -8.639 1.00 1.00 C ATOM 0 H THR X 50 79.391 -1.602 -8.817 1.00 1.00 H new ATOM 0 HA THR X 50 80.525 0.981 -9.449 1.00 1.00 H new ATOM 0 HB THR X 50 77.842 0.040 -8.359 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.220 0.615 -10.525 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.035 2.332 -8.836 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.302 2.347 -7.586 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.692 2.829 -9.254 1.00 1.00 H new ATOM 836 N ILE X 51 80.907 2.128 -7.232 1.00 1.00 N ATOM 837 CA ILE X 51 81.285 2.686 -5.903 1.00 1.00 C ATOM 838 C ILE X 51 80.683 4.085 -5.746 1.00 1.00 C ATOM 839 O ILE X 51 80.667 4.872 -6.673 1.00 1.00 O ATOM 840 CB ILE X 51 82.808 2.770 -5.803 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.315 1.703 -4.830 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.212 4.155 -5.295 1.00 1.00 C ATOM 843 CD1 ILE X 51 83.073 2.168 -3.392 1.00 1.00 C ATOM 0 H ILE X 51 81.172 2.700 -8.034 1.00 1.00 H new ATOM 0 HA ILE X 51 80.904 2.038 -5.114 1.00 1.00 H new ATOM 0 HB ILE X 51 83.245 2.603 -6.787 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.801 0.758 -5.009 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.378 1.524 -4.992 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.298 4.214 -5.224 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.852 4.916 -5.987 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.774 4.324 -4.311 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.434 1.409 -2.698 1.00 1.00 H new ATOM 0 HD12 ILE X 51 83.607 3.102 -3.217 1.00 1.00 H new ATOM 0 HD13 ILE X 51 82.006 2.325 -3.235 1.00 1.00 H new ATOM 855 N ASP X 52 80.190 4.400 -4.580 1.00 1.00 N ATOM 856 CA ASP X 52 79.600 5.751 -4.358 1.00 1.00 C ATOM 857 C ASP X 52 80.658 6.687 -3.770 1.00 1.00 C ATOM 858 O ASP X 52 81.369 6.333 -2.850 1.00 1.00 O ATOM 859 CB ASP X 52 78.423 5.638 -3.386 1.00 1.00 C ATOM 860 CG ASP X 52 77.501 6.847 -3.557 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.129 7.129 -4.684 1.00 1.00 O ATOM 862 OD2 ASP X 52 77.183 7.471 -2.559 1.00 1.00 O ATOM 0 H ASP X 52 80.170 3.780 -3.770 1.00 1.00 H new ATOM 0 HA ASP X 52 79.252 6.154 -5.309 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.871 4.717 -3.573 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.788 5.588 -2.360 1.00 1.00 H new ATOM 867 N ILE X 53 80.770 7.879 -4.290 1.00 1.00 N ATOM 868 CA ILE X 53 81.785 8.831 -3.757 1.00 1.00 C ATOM 869 C ILE X 53 81.685 8.882 -2.231 1.00 1.00 C ATOM 870 O ILE X 53 82.631 9.223 -1.549 1.00 1.00 O ATOM 871 CB ILE X 53 81.529 10.226 -4.332 1.00 1.00 C ATOM 872 CG1 ILE X 53 82.082 10.299 -5.757 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.226 11.274 -3.463 1.00 1.00 C ATOM 874 CD1 ILE X 53 83.567 10.661 -5.711 1.00 1.00 C ATOM 0 H ILE X 53 80.203 8.234 -5.060 1.00 1.00 H new ATOM 0 HA ILE X 53 82.782 8.497 -4.045 1.00 1.00 H new ATOM 0 HB ILE X 53 80.457 10.421 -4.346 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.946 9.342 -6.261 1.00 1.00 H new ATOM 0 HG13 ILE X 53 81.533 11.044 -6.334 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.043 12.267 -3.873 1.00 1.00 H new ATOM 0 HG22 ILE X 53 81.834 11.223 -2.447 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.298 11.080 -3.448 1.00 1.00 H new ATOM 0 HD11 ILE X 53 83.960 10.713 -6.726 1.00 1.00 H new ATOM 0 HD12 ILE X 53 83.691 11.628 -5.224 1.00 1.00 H new ATOM 0 HD13 ILE X 53 84.110 9.900 -5.150 1.00 1.00 H new ATOM 886 N LYS X 54 80.546 8.547 -1.689 1.00 1.00 N ATOM 887 CA LYS X 54 80.386 8.588 -0.208 1.00 1.00 C ATOM 888 C LYS X 54 81.302 7.542 0.430 1.00 1.00 C ATOM 889 O LYS X 54 81.958 7.800 1.420 1.00 1.00 O ATOM 890 CB LYS X 54 78.931 8.283 0.157 1.00 1.00 C ATOM 891 CG LYS X 54 78.035 9.431 -0.312 1.00 1.00 C ATOM 892 CD LYS X 54 76.584 9.134 0.071 1.00 1.00 C ATOM 893 CE LYS X 54 75.688 10.282 -0.395 1.00 1.00 C ATOM 894 NZ LYS X 54 74.276 9.997 -0.016 1.00 1.00 N ATOM 0 H LYS X 54 79.720 8.247 -2.207 1.00 1.00 H new ATOM 0 HA LYS X 54 80.652 9.579 0.160 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.616 7.349 -0.308 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.836 8.150 1.235 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.358 10.368 0.142 1.00 1.00 H new ATOM 0 HG3 LYS X 54 78.119 9.555 -1.392 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.261 8.198 -0.385 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.500 9.008 1.150 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.015 11.219 0.057 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.768 10.404 -1.475 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.651 10.208 -0.820 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 74.182 8.994 0.242 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 74.008 10.590 0.795 1.00 1.00 H new ATOM 908 N PHE X 55 81.356 6.365 -0.130 1.00 1.00 N ATOM 909 CA PHE X 55 82.212 5.297 0.459 1.00 1.00 C ATOM 910 C PHE X 55 83.666 5.527 0.042 1.00 1.00 C ATOM 911 O PHE X 55 84.581 4.975 0.621 1.00 1.00 O ATOM 912 CB PHE X 55 81.741 3.929 -0.043 1.00 1.00 C ATOM 913 CG PHE X 55 80.239 3.933 -0.194 1.00 1.00 C ATOM 914 CD1 PHE X 55 79.442 4.578 0.759 1.00 1.00 C ATOM 915 CD2 PHE X 55 79.644 3.294 -1.288 1.00 1.00 C ATOM 916 CE1 PHE X 55 78.049 4.584 0.620 1.00 1.00 C ATOM 917 CE2 PHE X 55 78.251 3.300 -1.429 1.00 1.00 C ATOM 918 CZ PHE X 55 77.454 3.944 -0.475 1.00 1.00 C ATOM 0 H PHE X 55 80.844 6.097 -0.970 1.00 1.00 H new ATOM 0 HA PHE X 55 82.137 5.326 1.546 1.00 1.00 H new ATOM 0 HB2 PHE X 55 82.212 3.700 -0.999 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.044 3.150 0.657 1.00 1.00 H new ATOM 0 HD1 PHE X 55 79.902 5.071 1.602 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.259 2.796 -2.023 1.00 1.00 H new ATOM 0 HE1 PHE X 55 77.434 5.081 1.356 1.00 1.00 H new ATOM 0 HE2 PHE X 55 77.791 2.808 -2.273 1.00 1.00 H new ATOM 0 HZ PHE X 55 76.379 3.947 -0.583 1.00 1.00 H new ATOM 928 N TRP X 56 83.891 6.335 -0.958 1.00 1.00 N ATOM 929 CA TRP X 56 85.289 6.582 -1.412 1.00 1.00 C ATOM 930 C TRP X 56 86.109 7.164 -0.259 1.00 1.00 C ATOM 931 O TRP X 56 87.239 6.780 -0.034 1.00 1.00 O ATOM 932 CB TRP X 56 85.278 7.569 -2.580 1.00 1.00 C ATOM 933 CG TRP X 56 86.676 8.009 -2.873 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.751 7.189 -2.930 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.168 9.351 -3.151 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.872 7.944 -3.224 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.564 9.282 -3.370 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.545 10.609 -3.234 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.316 10.421 -3.661 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.299 11.757 -3.526 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.681 11.664 -3.739 1.00 1.00 C ATOM 0 H TRP X 56 83.169 6.833 -1.479 1.00 1.00 H new ATOM 0 HA TRP X 56 85.736 5.642 -1.734 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.840 7.101 -3.462 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.658 8.431 -2.336 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.736 6.121 -2.772 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.812 7.559 -3.321 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.480 10.693 -3.072 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.381 10.343 -3.825 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.811 12.718 -3.587 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.255 12.551 -3.963 1.00 1.00 H new ATOM 952 N ARG X 57 85.551 8.089 0.472 1.00 1.00 N ATOM 953 CA ARG X 57 86.306 8.695 1.606 1.00 1.00 C ATOM 954 C ARG X 57 86.687 7.603 2.607 1.00 1.00 C ATOM 955 O ARG X 57 87.788 7.575 3.120 1.00 1.00 O ATOM 956 CB ARG X 57 85.430 9.741 2.300 1.00 1.00 C ATOM 957 CG ARG X 57 84.848 10.694 1.255 1.00 1.00 C ATOM 958 CD ARG X 57 85.976 11.508 0.619 1.00 1.00 C ATOM 959 NE ARG X 57 85.398 12.658 -0.131 1.00 1.00 N ATOM 960 CZ ARG X 57 86.142 13.337 -0.961 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.392 13.006 -1.139 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.636 14.346 -1.615 1.00 1.00 N ATOM 0 H ARG X 57 84.607 8.451 0.334 1.00 1.00 H new ATOM 0 HA ARG X 57 87.210 9.171 1.227 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.626 9.251 2.849 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.019 10.299 3.028 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.317 10.129 0.489 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.122 11.361 1.720 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.658 11.868 1.389 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.559 10.878 -0.053 1.00 1.00 H new ATOM 0 HE ARG X 57 84.420 12.915 0.004 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.788 12.216 -0.629 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.973 13.537 -1.788 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.659 14.604 -1.478 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.218 14.877 -2.264 1.00 1.00 H new ATOM 976 N ARG X 58 85.786 6.701 2.889 1.00 1.00 N ATOM 977 CA ARG X 58 86.102 5.612 3.855 1.00 1.00 C ATOM 978 C ARG X 58 87.087 4.633 3.214 1.00 1.00 C ATOM 979 O ARG X 58 88.066 4.238 3.815 1.00 1.00 O ATOM 980 CB ARG X 58 84.816 4.872 4.226 1.00 1.00 C ATOM 981 CG ARG X 58 83.946 5.769 5.108 1.00 1.00 C ATOM 982 CD ARG X 58 82.640 5.046 5.445 1.00 1.00 C ATOM 983 NE ARG X 58 82.941 3.814 6.228 1.00 1.00 N ATOM 984 CZ ARG X 58 83.379 3.911 7.453 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.554 5.087 7.993 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.644 2.833 8.138 1.00 1.00 N ATOM 0 H ARG X 58 84.847 6.672 2.493 1.00 1.00 H new ATOM 0 HA ARG X 58 86.547 6.040 4.753 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.271 4.593 3.324 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.055 3.948 4.753 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.480 6.023 6.024 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.733 6.706 4.593 1.00 1.00 H new ATOM 0 HD2 ARG X 58 81.986 5.703 6.018 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.109 4.787 4.529 1.00 1.00 H new ATOM 0 HE ARG X 58 82.805 2.895 5.806 1.00 1.00 H new ATOM 0 HH11 ARG X 58 83.348 5.930 7.457 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.896 5.163 8.951 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.509 1.914 7.716 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.986 2.909 9.096 1.00 1.00 H new ATOM 1000 N VAL X 59 86.836 4.237 1.997 1.00 1.00 N ATOM 1001 CA VAL X 59 87.752 3.277 1.321 1.00 1.00 C ATOM 1002 C VAL X 59 89.123 3.932 1.135 1.00 1.00 C ATOM 1003 O VAL X 59 90.146 3.350 1.439 1.00 1.00 O ATOM 1004 CB VAL X 59 87.178 2.896 -0.045 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.181 2.017 -0.795 1.00 1.00 C ATOM 1006 CG2 VAL X 59 85.871 2.125 0.150 1.00 1.00 C ATOM 0 H VAL X 59 86.035 4.537 1.441 1.00 1.00 H new ATOM 0 HA VAL X 59 87.855 2.380 1.932 1.00 1.00 H new ATOM 0 HB VAL X 59 86.986 3.800 -0.623 1.00 1.00 H new ATOM 0 HG11 VAL X 59 87.771 1.746 -1.768 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.113 2.565 -0.934 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.375 1.113 -0.218 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.461 1.853 -0.822 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.064 1.221 0.728 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.156 2.751 0.683 1.00 1.00 H new ATOM 1016 N GLY X 60 89.150 5.137 0.637 1.00 1.00 N ATOM 1017 CA GLY X 60 90.455 5.827 0.428 1.00 1.00 C ATOM 1018 C GLY X 60 91.224 5.880 1.748 1.00 1.00 C ATOM 1019 O GLY X 60 92.399 5.573 1.806 1.00 1.00 O ATOM 0 H GLY X 60 88.326 5.674 0.366 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.041 5.299 -0.325 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.288 6.836 0.052 1.00 1.00 H new ATOM 1023 N ASP X 61 90.572 6.266 2.812 1.00 1.00 N ATOM 1024 CA ASP X 61 91.268 6.331 4.128 1.00 1.00 C ATOM 1025 C ASP X 61 91.656 4.918 4.570 1.00 1.00 C ATOM 1026 O ASP X 61 92.708 4.703 5.139 1.00 1.00 O ATOM 1027 CB ASP X 61 90.332 6.952 5.168 1.00 1.00 C ATOM 1028 CG ASP X 61 91.158 7.526 6.320 1.00 1.00 C ATOM 1029 OD1 ASP X 61 92.272 7.955 6.067 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.664 7.527 7.435 1.00 1.00 O ATOM 0 H ASP X 61 89.589 6.539 2.826 1.00 1.00 H new ATOM 0 HA ASP X 61 92.166 6.942 4.035 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.732 7.738 4.710 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.638 6.200 5.543 1.00 1.00 H new ATOM 1035 N CYS X 62 90.816 3.954 4.312 1.00 1.00 N ATOM 1036 CA CYS X 62 91.137 2.558 4.720 1.00 1.00 C ATOM 1037 C CYS X 62 92.375 2.076 3.960 1.00 1.00 C ATOM 1038 O CYS X 62 93.357 1.670 4.550 1.00 1.00 O ATOM 1039 CB CYS X 62 89.952 1.646 4.394 1.00 1.00 C ATOM 1040 SG CYS X 62 88.531 2.116 5.411 1.00 1.00 S ATOM 0 H CYS X 62 89.922 4.073 3.836 1.00 1.00 H new ATOM 0 HA CYS X 62 91.334 2.529 5.792 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.698 1.725 3.337 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.218 0.606 4.581 1.00 1.00 H new ATOM 0 HG CYS X 62 87.937 3.142 4.878 1.00 1.00 H new ATOM 1046 N PHE X 63 92.338 2.118 2.657 1.00 1.00 N ATOM 1047 CA PHE X 63 93.508 1.648 1.863 1.00 1.00 C ATOM 1048 C PHE X 63 94.731 2.501 2.204 1.00 1.00 C ATOM 1049 O PHE X 63 95.816 1.993 2.405 1.00 1.00 O ATOM 1050 CB PHE X 63 93.195 1.776 0.370 1.00 1.00 C ATOM 1051 CG PHE X 63 92.687 0.454 -0.154 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.671 -0.224 0.528 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.235 -0.093 -1.320 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.200 -1.450 0.042 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.764 -1.319 -1.807 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.746 -1.998 -1.124 1.00 1.00 C ATOM 0 H PHE X 63 91.548 2.457 2.108 1.00 1.00 H new ATOM 0 HA PHE X 63 93.715 0.605 2.102 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.448 2.554 0.210 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.090 2.076 -0.176 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.250 0.198 1.429 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.021 0.430 -1.844 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.415 -1.973 0.568 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.185 -1.741 -2.708 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.383 -2.944 -1.498 1.00 1.00 H new ATOM 1066 N GLN X 64 94.565 3.793 2.271 1.00 1.00 N ATOM 1067 CA GLN X 64 95.718 4.676 2.602 1.00 1.00 C ATOM 1068 C GLN X 64 96.225 4.348 4.007 1.00 1.00 C ATOM 1069 O GLN X 64 97.411 4.373 4.271 1.00 1.00 O ATOM 1070 CB GLN X 64 95.272 6.139 2.552 1.00 1.00 C ATOM 1071 CG GLN X 64 96.436 7.043 2.964 1.00 1.00 C ATOM 1072 CD GLN X 64 96.065 8.505 2.701 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.058 8.984 3.181 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.844 9.238 1.953 1.00 1.00 N ATOM 0 H GLN X 64 93.681 4.275 2.111 1.00 1.00 H new ATOM 0 HA GLN X 64 96.517 4.514 1.879 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.938 6.394 1.546 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.424 6.294 3.218 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.666 6.899 4.020 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.332 6.778 2.404 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.690 8.836 1.550 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.607 10.213 1.772 1.00 1.00 H new ATOM 1083 N ASP X 65 95.337 4.037 4.912 1.00 1.00 N ATOM 1084 CA ASP X 65 95.773 3.710 6.297 1.00 1.00 C ATOM 1085 C ASP X 65 96.675 2.474 6.266 1.00 1.00 C ATOM 1086 O ASP X 65 97.730 2.447 6.869 1.00 1.00 O ATOM 1087 CB ASP X 65 94.544 3.425 7.164 1.00 1.00 C ATOM 1088 CG ASP X 65 93.922 4.745 7.619 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.524 5.778 7.372 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.855 4.703 8.209 1.00 1.00 O ATOM 0 H ASP X 65 94.331 3.996 4.751 1.00 1.00 H new ATOM 0 HA ASP X 65 96.324 4.552 6.715 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.815 2.843 6.600 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.828 2.827 8.030 1.00 1.00 H new ATOM 1095 N TYR X 66 96.266 1.450 5.567 1.00 1.00 N ATOM 1096 CA TYR X 66 97.097 0.215 5.499 1.00 1.00 C ATOM 1097 C TYR X 66 98.377 0.505 4.715 1.00 1.00 C ATOM 1098 O TYR X 66 99.407 -0.097 4.945 1.00 1.00 O ATOM 1099 CB TYR X 66 96.309 -0.892 4.798 1.00 1.00 C ATOM 1100 CG TYR X 66 95.195 -1.368 5.699 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.495 -2.024 6.899 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.860 -1.152 5.336 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.462 -2.465 7.734 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.826 -1.592 6.171 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.127 -2.249 7.370 1.00 1.00 C ATOM 1106 OH TYR X 66 92.108 -2.683 8.193 1.00 1.00 O ATOM 0 H TYR X 66 95.393 1.416 5.041 1.00 1.00 H new ATOM 0 HA TYR X 66 97.354 -0.106 6.508 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.898 -0.521 3.859 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.970 -1.722 4.550 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.524 -2.190 7.181 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.628 -0.645 4.411 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.694 -2.972 8.659 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.797 -1.425 5.890 1.00 1.00 H new ATOM 0 HH TYR X 66 91.244 -2.452 7.793 1.00 1.00 H new ATOM 1116 N TYR X 67 98.322 1.422 3.788 1.00 1.00 N ATOM 1117 CA TYR X 67 99.534 1.741 2.985 1.00 1.00 C ATOM 1118 C TYR X 67 100.629 2.278 3.908 1.00 1.00 C ATOM 1119 O TYR X 67 101.731 1.768 3.942 1.00 1.00 O ATOM 1120 CB TYR X 67 99.187 2.801 1.936 1.00 1.00 C ATOM 1121 CG TYR X 67 100.460 3.388 1.375 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.266 2.624 0.522 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.832 4.696 1.705 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.445 3.168 0.001 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.012 5.240 1.184 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.818 4.477 0.332 1.00 1.00 C ATOM 1127 OH TYR X 67 103.982 5.013 -0.182 1.00 1.00 O ATOM 0 H TYR X 67 97.490 1.963 3.553 1.00 1.00 H new ATOM 0 HA TYR X 67 99.888 0.838 2.487 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.595 2.356 1.136 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.578 3.586 2.384 1.00 1.00 H new ATOM 0 HD1 TYR X 67 100.978 1.615 0.266 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.209 5.286 2.361 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.067 2.579 -0.656 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.300 6.249 1.440 1.00 1.00 H new ATOM 0 HH TYR X 67 104.092 5.930 0.145 1.00 1.00 H new ATOM 1137 N ASN X 68 100.335 3.304 4.659 1.00 1.00 N ATOM 1138 CA ASN X 68 101.365 3.881 5.568 1.00 1.00 C ATOM 1139 C ASN X 68 101.683 2.876 6.675 1.00 1.00 C ATOM 1140 O ASN X 68 102.806 2.770 7.127 1.00 1.00 O ATOM 1141 CB ASN X 68 100.833 5.175 6.188 1.00 1.00 C ATOM 1142 CG ASN X 68 100.857 6.291 5.141 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.519 6.175 4.129 1.00 1.00 O ATOM 1144 ND2 ASN X 68 100.158 7.373 5.345 1.00 1.00 N ATOM 0 H ASN X 68 99.427 3.767 4.682 1.00 1.00 H new ATOM 0 HA ASN X 68 102.271 4.098 5.002 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.817 5.025 6.552 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.441 5.456 7.048 1.00 1.00 H new ATOM 0 HD21 ASN X 68 100.167 8.123 4.654 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.603 7.469 6.195 1.00 1.00 H new ATOM 1151 N THR X 69 100.703 2.133 7.115 1.00 1.00 N ATOM 1152 CA THR X 69 100.943 1.160 8.217 1.00 1.00 C ATOM 1153 C THR X 69 101.886 0.062 7.726 1.00 1.00 C ATOM 1154 O THR X 69 102.885 -0.237 8.350 1.00 1.00 O ATOM 1155 CB THR X 69 99.612 0.538 8.647 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.650 1.565 8.842 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.806 -0.236 9.952 1.00 1.00 C ATOM 0 H THR X 69 99.748 2.159 6.759 1.00 1.00 H new ATOM 0 HA THR X 69 101.393 1.673 9.067 1.00 1.00 H new ATOM 0 HB THR X 69 99.263 -0.143 7.871 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.068 1.621 8.056 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.858 -0.678 10.257 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.543 -1.025 9.801 1.00 1.00 H new ATOM 0 HG23 THR X 69 100.156 0.443 10.729 1.00 1.00 H new ATOM 1165 N PHE X 70 101.580 -0.540 6.609 1.00 1.00 N ATOM 1166 CA PHE X 70 102.435 -1.651 6.102 1.00 1.00 C ATOM 1167 C PHE X 70 103.201 -1.176 4.867 1.00 1.00 C ATOM 1168 O PHE X 70 104.408 -1.291 4.790 1.00 1.00 O ATOM 1169 CB PHE X 70 101.553 -2.844 5.728 1.00 1.00 C ATOM 1170 CG PHE X 70 100.965 -3.448 6.980 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.773 -4.197 7.843 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.610 -3.259 7.279 1.00 1.00 C ATOM 1173 CE1 PHE X 70 101.227 -4.757 9.005 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.064 -3.818 8.441 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.873 -4.568 9.303 1.00 1.00 C ATOM 0 H PHE X 70 100.775 -0.311 6.026 1.00 1.00 H new ATOM 0 HA PHE X 70 103.141 -1.951 6.876 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.756 -2.524 5.057 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.140 -3.590 5.193 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.818 -4.343 7.613 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.986 -2.682 6.613 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.851 -5.335 9.671 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.019 -3.671 8.672 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.452 -5.001 10.198 1.00 1.00 H new ATOM 1185 N GLY X 71 102.508 -0.640 3.900 1.00 1.00 N ATOM 1186 CA GLY X 71 103.190 -0.184 2.657 1.00 1.00 C ATOM 1187 C GLY X 71 102.330 -0.541 1.444 1.00 1.00 C ATOM 1188 O GLY X 71 101.152 -0.811 1.565 1.00 1.00 O ATOM 0 H GLY X 71 101.498 -0.498 3.918 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.356 0.893 2.694 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.170 -0.655 2.573 1.00 1.00 H new ATOM 1192 N PRO X 72 102.923 -0.542 0.281 1.00 1.00 N ATOM 1193 CA PRO X 72 102.214 -0.859 -0.989 1.00 1.00 C ATOM 1194 C PRO X 72 101.933 -2.357 -1.129 1.00 1.00 C ATOM 1195 O PRO X 72 101.098 -2.772 -1.908 1.00 1.00 O ATOM 1196 CB PRO X 72 103.171 -0.388 -2.095 1.00 1.00 C ATOM 1197 CG PRO X 72 104.526 -0.269 -1.464 1.00 1.00 C ATOM 1198 CD PRO X 72 104.337 -0.242 0.051 1.00 1.00 C ATOM 0 HA PRO X 72 101.241 -0.371 -1.033 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.189 -1.099 -2.921 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.849 0.569 -2.505 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.157 -1.108 -1.755 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.026 0.638 -1.802 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.977 -0.977 0.538 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.602 0.733 0.461 1.00 1.00 H new ATOM 1206 N GLU X 73 102.619 -3.173 -0.375 1.00 1.00 N ATOM 1207 CA GLU X 73 102.384 -4.640 -0.463 1.00 1.00 C ATOM 1208 C GLU X 73 100.913 -4.934 -0.160 1.00 1.00 C ATOM 1209 O GLU X 73 100.234 -5.601 -0.916 1.00 1.00 O ATOM 1210 CB GLU X 73 103.268 -5.363 0.556 1.00 1.00 C ATOM 1211 CG GLU X 73 104.737 -5.211 0.157 1.00 1.00 C ATOM 1212 CD GLU X 73 105.624 -5.882 1.208 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.082 -6.377 2.182 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.829 -5.888 1.019 1.00 1.00 O ATOM 0 H GLU X 73 103.331 -2.886 0.297 1.00 1.00 H new ATOM 0 HA GLU X 73 102.629 -4.989 -1.466 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.106 -4.950 1.552 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.000 -6.419 0.602 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.908 -5.663 -0.820 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.994 -4.155 0.070 1.00 1.00 H new ATOM 1221 N LYS X 74 100.415 -4.440 0.941 1.00 1.00 N ATOM 1222 CA LYS X 74 98.988 -4.686 1.290 1.00 1.00 C ATOM 1223 C LYS X 74 98.089 -4.014 0.252 1.00 1.00 C ATOM 1224 O LYS X 74 97.075 -4.552 -0.146 1.00 1.00 O ATOM 1225 CB LYS X 74 98.694 -4.102 2.674 1.00 1.00 C ATOM 1226 CG LYS X 74 99.595 -4.773 3.713 1.00 1.00 C ATOM 1227 CD LYS X 74 99.260 -6.264 3.794 1.00 1.00 C ATOM 1228 CE LYS X 74 99.689 -6.810 5.157 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.415 -8.274 5.214 1.00 1.00 N ATOM 0 H LYS X 74 100.935 -3.877 1.614 1.00 1.00 H new ATOM 0 HA LYS X 74 98.794 -5.759 1.300 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.865 -3.025 2.670 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.646 -4.258 2.931 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.642 -4.639 3.442 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.455 -4.305 4.687 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.190 -6.416 3.650 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.769 -6.806 2.997 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.750 -6.621 5.319 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.149 -6.297 5.953 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.706 -8.646 6.140 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.398 -8.442 5.078 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.949 -8.757 4.464 1.00 1.00 H new ATOM 1243 N VAL X 75 98.453 -2.842 -0.189 1.00 1.00 N ATOM 1244 CA VAL X 75 97.617 -2.133 -1.198 1.00 1.00 C ATOM 1245 C VAL X 75 98.525 -1.373 -2.167 1.00 1.00 C ATOM 1246 O VAL X 75 98.710 -0.178 -2.050 1.00 1.00 O ATOM 1247 CB VAL X 75 96.691 -1.145 -0.487 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.524 -1.905 0.146 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.471 -0.411 0.605 1.00 1.00 C ATOM 0 H VAL X 75 99.293 -2.344 0.106 1.00 1.00 H new ATOM 0 HA VAL X 75 97.020 -2.858 -1.751 1.00 1.00 H new ATOM 0 HB VAL X 75 96.307 -0.424 -1.208 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.864 -1.201 0.653 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.968 -2.430 -0.631 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.908 -2.626 0.867 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.812 0.293 1.112 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.854 -1.133 1.326 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.304 0.130 0.156 1.00 1.00 H new ATOM 1259 N PRO X 76 99.085 -2.069 -3.119 1.00 1.00 N ATOM 1260 CA PRO X 76 99.992 -1.464 -4.133 1.00 1.00 C ATOM 1261 C PRO X 76 99.335 -0.295 -4.874 1.00 1.00 C ATOM 1262 O PRO X 76 98.127 -0.211 -4.977 1.00 1.00 O ATOM 1263 CB PRO X 76 100.272 -2.619 -5.093 1.00 1.00 C ATOM 1264 CG PRO X 76 100.009 -3.862 -4.304 1.00 1.00 C ATOM 1265 CD PRO X 76 98.913 -3.514 -3.332 1.00 1.00 C ATOM 0 HA PRO X 76 100.890 -1.044 -3.680 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.627 -2.566 -5.970 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.301 -2.591 -5.452 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.706 -4.681 -4.956 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.907 -4.188 -3.779 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.928 -3.745 -3.739 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.012 -4.071 -2.400 1.00 1.00 H new ATOM 1273 N VAL X 77 100.123 0.608 -5.392 1.00 1.00 N ATOM 1274 CA VAL X 77 99.544 1.769 -6.126 1.00 1.00 C ATOM 1275 C VAL X 77 98.604 1.262 -7.221 1.00 1.00 C ATOM 1276 O VAL X 77 97.933 2.030 -7.882 1.00 1.00 O ATOM 1277 CB VAL X 77 100.673 2.583 -6.763 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.554 3.181 -5.665 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.519 1.671 -7.654 1.00 1.00 C ATOM 0 H VAL X 77 101.141 0.592 -5.339 1.00 1.00 H new ATOM 0 HA VAL X 77 98.988 2.398 -5.431 1.00 1.00 H new ATOM 0 HB VAL X 77 100.247 3.386 -7.364 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.358 3.761 -6.119 1.00 1.00 H new ATOM 0 HG12 VAL X 77 100.952 3.831 -5.029 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.980 2.378 -5.063 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.323 2.250 -8.108 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.945 0.868 -7.052 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.892 1.244 -8.437 1.00 1.00 H new ATOM 1289 N THR X 78 98.549 -0.028 -7.419 1.00 1.00 N ATOM 1290 CA THR X 78 97.651 -0.583 -8.469 1.00 1.00 C ATOM 1291 C THR X 78 96.201 -0.218 -8.144 1.00 1.00 C ATOM 1292 O THR X 78 95.394 0.006 -9.023 1.00 1.00 O ATOM 1293 CB THR X 78 97.796 -2.106 -8.515 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.380 -2.656 -7.273 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.257 -2.475 -8.775 1.00 1.00 C ATOM 0 H THR X 78 99.088 -0.720 -6.898 1.00 1.00 H new ATOM 0 HA THR X 78 97.924 -0.164 -9.438 1.00 1.00 H new ATOM 0 HB THR X 78 97.176 -2.506 -9.317 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.470 -3.631 -7.301 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.358 -3.560 -8.807 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.575 -2.052 -9.728 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.881 -2.076 -7.975 1.00 1.00 H new ATOM 1303 N ALA X 79 95.864 -0.159 -6.884 1.00 1.00 N ATOM 1304 CA ALA X 79 94.466 0.189 -6.502 1.00 1.00 C ATOM 1305 C ALA X 79 94.191 1.651 -6.860 1.00 1.00 C ATOM 1306 O ALA X 79 93.105 2.004 -7.277 1.00 1.00 O ATOM 1307 CB ALA X 79 94.283 -0.010 -4.996 1.00 1.00 C ATOM 0 H ALA X 79 96.496 -0.337 -6.103 1.00 1.00 H new ATOM 0 HA ALA X 79 93.771 -0.455 -7.040 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.261 0.245 -4.717 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.481 -1.051 -4.740 1.00 1.00 H new ATOM 0 HB3 ALA X 79 94.977 0.634 -4.457 1.00 1.00 H new ATOM 1313 N PHE X 80 95.165 2.504 -6.700 1.00 1.00 N ATOM 1314 CA PHE X 80 94.959 3.942 -7.028 1.00 1.00 C ATOM 1315 C PHE X 80 94.636 4.082 -8.517 1.00 1.00 C ATOM 1316 O PHE X 80 93.752 4.821 -8.904 1.00 1.00 O ATOM 1317 CB PHE X 80 96.233 4.725 -6.708 1.00 1.00 C ATOM 1318 CG PHE X 80 96.322 4.950 -5.216 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.639 3.883 -4.366 1.00 1.00 C ATOM 1320 CD2 PHE X 80 96.087 6.223 -4.684 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.721 4.090 -2.985 1.00 1.00 C ATOM 1322 CE2 PHE X 80 96.170 6.430 -3.302 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.486 5.363 -2.453 1.00 1.00 C ATOM 0 H PHE X 80 96.095 2.267 -6.356 1.00 1.00 H new ATOM 0 HA PHE X 80 94.132 4.336 -6.437 1.00 1.00 H new ATOM 0 HB2 PHE X 80 97.108 4.176 -7.057 1.00 1.00 H new ATOM 0 HB3 PHE X 80 96.227 5.681 -7.231 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.820 2.901 -4.777 1.00 1.00 H new ATOM 0 HD2 PHE X 80 95.842 7.045 -5.340 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.966 3.267 -2.329 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.990 7.412 -2.891 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.549 5.522 -1.387 1.00 1.00 H new ATOM 1333 N SER X 81 95.346 3.379 -9.355 1.00 1.00 N ATOM 1334 CA SER X 81 95.088 3.477 -10.819 1.00 1.00 C ATOM 1335 C SER X 81 93.662 3.010 -11.116 1.00 1.00 C ATOM 1336 O SER X 81 92.911 3.672 -11.805 1.00 1.00 O ATOM 1337 CB SER X 81 96.084 2.596 -11.573 1.00 1.00 C ATOM 1338 OG SER X 81 95.905 2.778 -12.972 1.00 1.00 O ATOM 0 H SER X 81 96.095 2.740 -9.089 1.00 1.00 H new ATOM 0 HA SER X 81 95.205 4.512 -11.141 1.00 1.00 H new ATOM 0 HB2 SER X 81 97.104 2.854 -11.288 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.935 1.549 -11.308 1.00 1.00 H new ATOM 0 HG SER X 81 96.543 2.216 -13.459 1.00 1.00 H new ATOM 1344 N TYR X 82 93.281 1.872 -10.601 1.00 1.00 N ATOM 1345 CA TYR X 82 91.906 1.361 -10.859 1.00 1.00 C ATOM 1346 C TYR X 82 90.882 2.306 -10.226 1.00 1.00 C ATOM 1347 O TYR X 82 89.862 2.613 -10.811 1.00 1.00 O ATOM 1348 CB TYR X 82 91.758 -0.038 -10.253 1.00 1.00 C ATOM 1349 CG TYR X 82 92.446 -1.051 -11.135 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.007 -1.249 -12.450 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.524 -1.792 -10.638 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.647 -2.190 -13.266 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.164 -2.733 -11.454 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.725 -2.931 -12.769 1.00 1.00 C ATOM 1355 OH TYR X 82 94.355 -3.860 -13.573 1.00 1.00 O ATOM 0 H TYR X 82 93.863 1.275 -10.013 1.00 1.00 H new ATOM 0 HA TYR X 82 91.734 1.309 -11.934 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.191 -0.059 -9.253 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.703 -0.290 -10.149 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.176 -0.677 -12.834 1.00 1.00 H new ATOM 0 HD2 TYR X 82 93.863 -1.638 -9.624 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.308 -2.344 -14.280 1.00 1.00 H new ATOM 0 HE2 TYR X 82 94.995 -3.305 -11.070 1.00 1.00 H new ATOM 0 HH TYR X 82 95.083 -4.285 -13.073 1.00 1.00 H new ATOM 1365 N TRP X 83 91.145 2.771 -9.037 1.00 1.00 N ATOM 1366 CA TRP X 83 90.184 3.693 -8.367 1.00 1.00 C ATOM 1367 C TRP X 83 90.137 5.017 -9.130 1.00 1.00 C ATOM 1368 O TRP X 83 89.105 5.652 -9.229 1.00 1.00 O ATOM 1369 CB TRP X 83 90.639 3.949 -6.929 1.00 1.00 C ATOM 1370 CG TRP X 83 89.449 4.249 -6.077 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.957 5.487 -5.838 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.594 3.321 -5.347 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.854 5.377 -5.010 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.591 4.063 -4.680 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.592 1.922 -5.202 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.620 3.439 -3.897 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.616 1.291 -4.414 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.632 2.048 -3.763 1.00 1.00 C ATOM 0 H TRP X 83 91.984 2.553 -8.499 1.00 1.00 H new ATOM 0 HA TRP X 83 89.192 3.241 -8.358 1.00 1.00 H new ATOM 0 HB2 TRP X 83 91.166 3.077 -6.542 1.00 1.00 H new ATOM 0 HB3 TRP X 83 91.340 4.783 -6.901 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.359 6.410 -6.229 1.00 1.00 H new ATOM 0 HE1 TRP X 83 87.302 6.170 -4.683 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.346 1.330 -5.700 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.864 4.027 -3.398 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.623 0.216 -4.309 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.884 1.557 -3.158 1.00 1.00 H new ATOM 1389 N ASN X 84 91.245 5.437 -9.674 1.00 1.00 N ATOM 1390 CA ASN X 84 91.264 6.720 -10.431 1.00 1.00 C ATOM 1391 C ASN X 84 90.246 6.648 -11.571 1.00 1.00 C ATOM 1392 O ASN X 84 89.510 7.582 -11.819 1.00 1.00 O ATOM 1393 CB ASN X 84 92.663 6.953 -11.007 1.00 1.00 C ATOM 1394 CG ASN X 84 93.617 7.359 -9.883 1.00 1.00 C ATOM 1395 OD1 ASN X 84 93.227 8.039 -8.955 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.861 6.967 -9.927 1.00 1.00 N ATOM 0 H ASN X 84 92.139 4.947 -9.627 1.00 1.00 H new ATOM 0 HA ASN X 84 91.007 7.543 -9.764 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.023 6.047 -11.494 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.629 7.732 -11.769 1.00 1.00 H new ATOM 0 HD21 ASN X 84 95.506 7.232 -9.182 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.189 6.396 -10.706 1.00 1.00 H new ATOM 1403 N LEU X 85 90.200 5.543 -12.265 1.00 1.00 N ATOM 1404 CA LEU X 85 89.212 5.397 -13.372 1.00 1.00 C ATOM 1405 C LEU X 85 87.797 5.354 -12.794 1.00 1.00 C ATOM 1406 O LEU X 85 86.868 5.898 -13.358 1.00 1.00 O ATOM 1407 CB LEU X 85 89.491 4.101 -14.136 1.00 1.00 C ATOM 1408 CG LEU X 85 90.875 4.178 -14.782 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.183 2.857 -15.490 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.897 5.318 -15.801 1.00 1.00 C ATOM 0 H LEU X 85 90.804 4.735 -12.113 1.00 1.00 H new ATOM 0 HA LEU X 85 89.300 6.246 -14.050 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.441 3.249 -13.458 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.729 3.946 -14.900 1.00 1.00 H new ATOM 0 HG LEU X 85 91.625 4.361 -14.013 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.169 2.912 -15.950 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.166 2.043 -14.765 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.433 2.673 -16.260 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.883 5.374 -16.263 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.146 5.133 -16.570 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.677 6.260 -15.298 1.00 1.00 H new ATOM 1422 N ILE X 86 87.623 4.711 -11.671 1.00 1.00 N ATOM 1423 CA ILE X 86 86.268 4.638 -11.056 1.00 1.00 C ATOM 1424 C ILE X 86 85.826 6.040 -10.635 1.00 1.00 C ATOM 1425 O ILE X 86 84.700 6.439 -10.856 1.00 1.00 O ATOM 1426 CB ILE X 86 86.314 3.728 -9.827 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.496 2.276 -10.275 1.00 1.00 C ATOM 1428 CG2 ILE X 86 85.005 3.859 -9.047 1.00 1.00 C ATOM 1429 CD1 ILE X 86 85.126 1.637 -10.510 1.00 1.00 C ATOM 0 H ILE X 86 88.361 4.233 -11.153 1.00 1.00 H new ATOM 0 HA ILE X 86 85.560 4.234 -11.780 1.00 1.00 H new ATOM 0 HB ILE X 86 87.148 4.020 -9.189 1.00 1.00 H new ATOM 0 HG12 ILE X 86 87.088 2.238 -11.189 1.00 1.00 H new ATOM 0 HG13 ILE X 86 87.044 1.717 -9.517 1.00 1.00 H new ATOM 0 HG21 ILE X 86 85.037 3.211 -8.171 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.873 4.893 -8.729 1.00 1.00 H new ATOM 0 HG23 ILE X 86 84.171 3.566 -9.685 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.257 0.603 -10.829 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.550 1.661 -9.585 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.594 2.191 -11.284 1.00 1.00 H new ATOM 1441 N LYS X 87 86.704 6.791 -10.029 1.00 1.00 N ATOM 1442 CA LYS X 87 86.332 8.161 -9.580 1.00 1.00 C ATOM 1443 C LYS X 87 85.844 8.976 -10.781 1.00 1.00 C ATOM 1444 O LYS X 87 84.856 9.680 -10.706 1.00 1.00 O ATOM 1445 CB LYS X 87 87.552 8.844 -8.960 1.00 1.00 C ATOM 1446 CG LYS X 87 87.148 10.218 -8.419 1.00 1.00 C ATOM 1447 CD LYS X 87 88.355 10.877 -7.749 1.00 1.00 C ATOM 1448 CE LYS X 87 87.945 12.239 -7.188 1.00 1.00 C ATOM 1449 NZ LYS X 87 89.121 12.884 -6.537 1.00 1.00 N ATOM 0 H LYS X 87 87.664 6.514 -9.825 1.00 1.00 H new ATOM 0 HA LYS X 87 85.537 8.097 -8.837 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.957 8.229 -8.156 1.00 1.00 H new ATOM 0 HB3 LYS X 87 88.340 8.952 -9.706 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.781 10.847 -9.230 1.00 1.00 H new ATOM 0 HG3 LYS X 87 86.333 10.113 -7.703 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.733 10.241 -6.949 1.00 1.00 H new ATOM 0 HD3 LYS X 87 89.164 10.997 -8.470 1.00 1.00 H new ATOM 0 HE2 LYS X 87 87.565 12.874 -7.988 1.00 1.00 H new ATOM 0 HE3 LYS X 87 87.137 12.119 -6.466 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.916 13.890 -6.368 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 89.317 12.414 -5.630 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.951 12.799 -7.158 1.00 1.00 H new ATOM 1463 N GLU X 88 86.529 8.886 -11.888 1.00 1.00 N ATOM 1464 CA GLU X 88 86.105 9.658 -13.090 1.00 1.00 C ATOM 1465 C GLU X 88 84.818 9.053 -13.653 1.00 1.00 C ATOM 1466 O GLU X 88 83.948 9.754 -14.131 1.00 1.00 O ATOM 1467 CB GLU X 88 87.206 9.598 -14.152 1.00 1.00 C ATOM 1468 CG GLU X 88 88.437 10.360 -13.657 1.00 1.00 C ATOM 1469 CD GLU X 88 89.572 10.212 -14.673 1.00 1.00 C ATOM 1470 OE1 GLU X 88 89.372 9.519 -15.657 1.00 1.00 O ATOM 1471 OE2 GLU X 88 90.619 10.795 -14.450 1.00 1.00 O ATOM 0 H GLU X 88 87.363 8.312 -12.012 1.00 1.00 H new ATOM 0 HA GLU X 88 85.928 10.697 -12.812 1.00 1.00 H new ATOM 0 HB2 GLU X 88 87.467 8.561 -14.361 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.849 10.031 -15.086 1.00 1.00 H new ATOM 0 HG2 GLU X 88 88.194 11.413 -13.518 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.751 9.975 -12.687 1.00 1.00 H new ATOM 1478 N LEU X 89 84.690 7.755 -13.600 1.00 1.00 N ATOM 1479 CA LEU X 89 83.467 7.105 -14.149 1.00 1.00 C ATOM 1480 C LEU X 89 82.250 7.544 -13.333 1.00 1.00 C ATOM 1481 O LEU X 89 81.251 7.977 -13.874 1.00 1.00 O ATOM 1482 CB LEU X 89 83.616 5.584 -14.065 1.00 1.00 C ATOM 1483 CG LEU X 89 82.343 4.916 -14.585 1.00 1.00 C ATOM 1484 CD1 LEU X 89 82.106 5.328 -16.040 1.00 1.00 C ATOM 1485 CD2 LEU X 89 82.497 3.395 -14.507 1.00 1.00 C ATOM 0 H LEU X 89 85.379 7.118 -13.201 1.00 1.00 H new ATOM 0 HA LEU X 89 83.334 7.399 -15.190 1.00 1.00 H new ATOM 0 HB2 LEU X 89 84.475 5.259 -14.652 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.802 5.283 -13.034 1.00 1.00 H new ATOM 0 HG LEU X 89 81.495 5.229 -13.976 1.00 1.00 H new ATOM 0 HD11 LEU X 89 81.198 4.851 -16.410 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.997 6.411 -16.098 1.00 1.00 H new ATOM 0 HD13 LEU X 89 82.954 5.016 -16.649 1.00 1.00 H new ATOM 0 HD21 LEU X 89 81.590 2.918 -14.878 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.346 3.083 -15.116 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.666 3.099 -13.472 1.00 1.00 H new ATOM 1497 N ILE X 90 82.324 7.436 -12.034 1.00 1.00 N ATOM 1498 CA ILE X 90 81.165 7.828 -11.186 1.00 1.00 C ATOM 1499 C ILE X 90 81.005 9.350 -11.214 1.00 1.00 C ATOM 1500 O ILE X 90 79.910 9.868 -11.307 1.00 1.00 O ATOM 1501 CB ILE X 90 81.405 7.364 -9.749 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.597 8.126 -9.162 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.706 5.866 -9.738 1.00 1.00 C ATOM 1504 CD1 ILE X 90 83.024 7.468 -7.848 1.00 1.00 C ATOM 0 H ILE X 90 83.138 7.093 -11.524 1.00 1.00 H new ATOM 0 HA ILE X 90 80.258 7.361 -11.570 1.00 1.00 H new ATOM 0 HB ILE X 90 80.515 7.559 -9.151 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.427 8.125 -9.869 1.00 1.00 H new ATOM 0 HG13 ILE X 90 82.327 9.168 -8.989 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.877 5.537 -8.713 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.860 5.322 -10.158 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.596 5.669 -10.335 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.872 8.009 -7.429 1.00 1.00 H new ATOM 0 HD12 ILE X 90 82.194 7.492 -7.142 1.00 1.00 H new ATOM 0 HD13 ILE X 90 83.311 6.433 -8.036 1.00 1.00 H new ATOM 1516 N ASP X 91 82.091 10.071 -11.131 1.00 1.00 N ATOM 1517 CA ASP X 91 82.000 11.558 -11.145 1.00 1.00 C ATOM 1518 C ASP X 91 81.385 12.019 -12.468 1.00 1.00 C ATOM 1519 O ASP X 91 80.489 12.839 -12.495 1.00 1.00 O ATOM 1520 CB ASP X 91 83.402 12.156 -10.997 1.00 1.00 C ATOM 1521 CG ASP X 91 83.870 12.008 -9.548 1.00 1.00 C ATOM 1522 OD1 ASP X 91 83.075 11.577 -8.730 1.00 1.00 O ATOM 1523 OD2 ASP X 91 85.017 12.328 -9.282 1.00 1.00 O ATOM 0 H ASP X 91 83.036 9.694 -11.054 1.00 1.00 H new ATOM 0 HA ASP X 91 81.373 11.892 -10.318 1.00 1.00 H new ATOM 0 HB2 ASP X 91 84.097 11.651 -11.668 1.00 1.00 H new ATOM 0 HB3 ASP X 91 83.392 13.208 -11.281 1.00 1.00 H new ATOM 1528 N LYS X 92 81.860 11.500 -13.567 1.00 1.00 N ATOM 1529 CA LYS X 92 81.297 11.902 -14.886 1.00 1.00 C ATOM 1530 C LYS X 92 79.839 11.448 -14.982 1.00 1.00 C ATOM 1531 O LYS X 92 78.995 12.145 -15.507 1.00 1.00 O ATOM 1532 CB LYS X 92 82.109 11.249 -16.007 1.00 1.00 C ATOM 1533 CG LYS X 92 83.473 11.931 -16.117 1.00 1.00 C ATOM 1534 CD LYS X 92 84.300 11.250 -17.209 1.00 1.00 C ATOM 1535 CE LYS X 92 85.672 11.921 -17.305 1.00 1.00 C ATOM 1536 NZ LYS X 92 86.507 11.203 -18.310 1.00 1.00 N ATOM 0 H LYS X 92 82.614 10.814 -13.608 1.00 1.00 H new ATOM 0 HA LYS X 92 81.345 12.986 -14.985 1.00 1.00 H new ATOM 0 HB2 LYS X 92 82.238 10.186 -15.804 1.00 1.00 H new ATOM 0 HB3 LYS X 92 81.573 11.330 -16.953 1.00 1.00 H new ATOM 0 HG2 LYS X 92 83.345 12.988 -16.350 1.00 1.00 H new ATOM 0 HG3 LYS X 92 83.997 11.876 -15.163 1.00 1.00 H new ATOM 0 HD2 LYS X 92 84.417 10.190 -16.983 1.00 1.00 H new ATOM 0 HD3 LYS X 92 83.783 11.317 -18.166 1.00 1.00 H new ATOM 0 HE2 LYS X 92 85.558 12.967 -17.591 1.00 1.00 H new ATOM 0 HE3 LYS X 92 86.164 11.909 -16.332 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 87.440 11.659 -18.376 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 86.626 10.212 -18.018 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 86.039 11.237 -19.238 1.00 1.00 H new ATOM 1550 N LYS X 93 79.536 10.283 -14.477 1.00 1.00 N ATOM 1551 CA LYS X 93 78.130 9.791 -14.526 1.00 1.00 C ATOM 1552 C LYS X 93 77.265 10.621 -13.576 1.00 1.00 C ATOM 1553 O LYS X 93 77.647 10.899 -12.456 1.00 1.00 O ATOM 1554 CB LYS X 93 78.088 8.321 -14.104 1.00 1.00 C ATOM 1555 CG LYS X 93 76.675 7.771 -14.306 1.00 1.00 C ATOM 1556 CD LYS X 93 76.652 6.283 -13.953 1.00 1.00 C ATOM 1557 CE LYS X 93 75.244 5.727 -14.182 1.00 1.00 C ATOM 1558 NZ LYS X 93 75.226 4.273 -13.856 1.00 1.00 N ATOM 0 H LYS X 93 80.202 9.651 -14.033 1.00 1.00 H new ATOM 0 HA LYS X 93 77.747 9.887 -15.542 1.00 1.00 H new ATOM 0 HB2 LYS X 93 78.802 7.743 -14.691 1.00 1.00 H new ATOM 0 HB3 LYS X 93 78.381 8.223 -13.059 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.968 8.315 -13.680 1.00 1.00 H new ATOM 0 HG3 LYS X 93 76.361 7.915 -15.340 1.00 1.00 H new ATOM 0 HD2 LYS X 93 77.373 5.742 -14.566 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.947 6.140 -12.913 1.00 1.00 H new ATOM 0 HE2 LYS X 93 74.525 6.259 -13.559 1.00 1.00 H new ATOM 0 HE3 LYS X 93 74.944 5.882 -15.218 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 74.270 3.894 -14.011 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 75.901 3.772 -14.468 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 75.495 4.137 -12.861 1.00 1.00 H new ATOM 1572 N GLU X 94 76.101 11.018 -14.012 1.00 1.00 N ATOM 1573 CA GLU X 94 75.212 11.829 -13.134 1.00 1.00 C ATOM 1574 C GLU X 94 74.326 10.901 -12.302 1.00 1.00 C ATOM 1575 O GLU X 94 73.475 10.208 -12.822 1.00 1.00 O ATOM 1576 CB GLU X 94 74.331 12.733 -13.999 1.00 1.00 C ATOM 1577 CG GLU X 94 75.198 13.792 -14.682 1.00 1.00 C ATOM 1578 CD GLU X 94 74.325 14.666 -15.584 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.152 14.359 -15.716 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.844 15.628 -16.127 1.00 1.00 O ATOM 0 H GLU X 94 75.727 10.815 -14.939 1.00 1.00 H new ATOM 0 HA GLU X 94 75.821 12.440 -12.468 1.00 1.00 H new ATOM 0 HB2 GLU X 94 73.807 12.139 -14.748 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.570 13.213 -13.384 1.00 1.00 H new ATOM 0 HG2 GLU X 94 75.695 14.408 -13.933 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.980 13.312 -15.270 1.00 1.00 H new ATOM 1587 N VAL X 95 74.520 10.878 -11.011 1.00 1.00 N ATOM 1588 CA VAL X 95 73.687 9.997 -10.146 1.00 1.00 C ATOM 1589 C VAL X 95 73.223 10.777 -8.913 1.00 1.00 C ATOM 1590 O VAL X 95 73.852 11.729 -8.497 1.00 1.00 O ATOM 1591 CB VAL X 95 74.516 8.791 -9.703 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.552 9.235 -8.669 1.00 1.00 C ATOM 1593 CG2 VAL X 95 73.592 7.741 -9.080 1.00 1.00 C ATOM 0 H VAL X 95 75.220 11.432 -10.518 1.00 1.00 H new ATOM 0 HA VAL X 95 72.817 9.657 -10.707 1.00 1.00 H new ATOM 0 HB VAL X 95 75.026 8.363 -10.566 1.00 1.00 H new ATOM 0 HG11 VAL X 95 76.143 8.375 -8.353 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.209 9.984 -9.111 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.043 9.663 -7.805 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.181 6.880 -8.763 1.00 1.00 H new ATOM 0 HG22 VAL X 95 73.083 8.170 -8.217 1.00 1.00 H new ATOM 0 HG23 VAL X 95 72.853 7.424 -9.816 1.00 1.00 H new ATOM 1603 N ASN X 96 72.127 10.381 -8.327 1.00 1.00 N ATOM 1604 CA ASN X 96 71.617 11.108 -7.129 1.00 1.00 C ATOM 1605 C ASN X 96 71.404 10.119 -5.982 1.00 1.00 C ATOM 1606 O ASN X 96 70.318 9.610 -5.783 1.00 1.00 O ATOM 1607 CB ASN X 96 70.291 11.789 -7.470 1.00 1.00 C ATOM 1608 CG ASN X 96 69.743 12.493 -6.228 1.00 1.00 C ATOM 1609 OD1 ASN X 96 70.311 12.394 -5.159 1.00 1.00 O ATOM 1610 ND2 ASN X 96 68.655 13.208 -6.325 1.00 1.00 N ATOM 0 H ASN X 96 71.562 9.586 -8.625 1.00 1.00 H new ATOM 0 HA ASN X 96 72.344 11.862 -6.827 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.437 12.510 -8.275 1.00 1.00 H new ATOM 0 HB3 ASN X 96 69.573 11.051 -7.829 1.00 1.00 H new ATOM 0 HD21 ASN X 96 68.282 13.683 -5.503 1.00 1.00 H new ATOM 0 HD22 ASN X 96 68.178 13.291 -7.223 1.00 1.00 H new ATOM 1617 N PRO X 97 72.439 9.848 -5.234 1.00 1.00 N ATOM 1618 CA PRO X 97 72.381 8.901 -4.085 1.00 1.00 C ATOM 1619 C PRO X 97 71.420 9.374 -2.990 1.00 1.00 C ATOM 1620 O PRO X 97 70.465 10.078 -3.250 1.00 1.00 O ATOM 1621 CB PRO X 97 73.818 8.882 -3.562 1.00 1.00 C ATOM 1622 CG PRO X 97 74.652 9.419 -4.678 1.00 1.00 C ATOM 1623 CD PRO X 97 73.783 10.420 -5.406 1.00 1.00 C ATOM 0 HA PRO X 97 72.012 7.921 -4.386 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.918 9.495 -2.666 1.00 1.00 H new ATOM 0 HB3 PRO X 97 74.125 7.871 -3.293 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.556 9.893 -4.296 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.970 8.619 -5.347 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.860 11.417 -4.972 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.057 10.508 -6.457 1.00 1.00 H new ATOM 1631 N GLN X 98 71.664 8.991 -1.766 1.00 1.00 N ATOM 1632 CA GLN X 98 70.766 9.421 -0.658 1.00 1.00 C ATOM 1633 C GLN X 98 70.813 10.944 -0.527 1.00 1.00 C ATOM 1634 O GLN X 98 69.808 11.590 -0.304 1.00 1.00 O ATOM 1635 CB GLN X 98 71.229 8.780 0.652 1.00 1.00 C ATOM 1636 CG GLN X 98 71.004 7.268 0.591 1.00 1.00 C ATOM 1637 CD GLN X 98 71.547 6.618 1.866 1.00 1.00 C ATOM 1638 OE1 GLN X 98 72.740 6.609 2.097 1.00 1.00 O ATOM 1639 NE2 GLN X 98 70.715 6.070 2.709 1.00 1.00 N ATOM 0 H GLN X 98 72.446 8.399 -1.486 1.00 1.00 H new ATOM 0 HA GLN X 98 69.745 9.107 -0.874 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.284 8.994 0.820 1.00 1.00 H new ATOM 0 HB3 GLN X 98 70.679 9.206 1.491 1.00 1.00 H new ATOM 0 HG2 GLN X 98 69.941 7.052 0.485 1.00 1.00 H new ATOM 0 HG3 GLN X 98 71.503 6.851 -0.283 1.00 1.00 H new ATOM 0 HE21 GLN X 98 69.714 6.078 2.515 1.00 1.00 H new ATOM 0 HE22 GLN X 98 71.066 5.634 3.562 1.00 1.00 H new ATOM 1648 N VAL X 99 71.974 11.525 -0.665 1.00 1.00 N ATOM 1649 CA VAL X 99 72.084 13.007 -0.554 1.00 1.00 C ATOM 1650 C VAL X 99 72.777 13.563 -1.800 1.00 1.00 C ATOM 1651 O VAL X 99 73.813 13.082 -2.212 1.00 1.00 O ATOM 1652 CB VAL X 99 72.904 13.366 0.688 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.295 14.844 0.634 1.00 1.00 C ATOM 1654 CG2 VAL X 99 72.066 13.107 1.942 1.00 1.00 C ATOM 0 H VAL X 99 72.851 11.037 -0.850 1.00 1.00 H new ATOM 0 HA VAL X 99 71.087 13.439 -0.470 1.00 1.00 H new ATOM 0 HB VAL X 99 73.805 12.754 0.718 1.00 1.00 H new ATOM 0 HG11 VAL X 99 73.879 15.099 1.519 1.00 1.00 H new ATOM 0 HG12 VAL X 99 73.891 15.030 -0.260 1.00 1.00 H new ATOM 0 HG13 VAL X 99 72.395 15.458 0.604 1.00 1.00 H new ATOM 0 HG21 VAL X 99 72.648 13.362 2.828 1.00 1.00 H new ATOM 0 HG22 VAL X 99 71.165 13.720 1.911 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.787 12.054 1.982 1.00 1.00 H new ATOM 1664 N MET X 100 72.213 14.575 -2.402 1.00 1.00 N ATOM 1665 CA MET X 100 72.842 15.159 -3.620 1.00 1.00 C ATOM 1666 C MET X 100 73.932 16.150 -3.206 1.00 1.00 C ATOM 1667 O MET X 100 75.076 15.924 -3.562 1.00 1.00 O ATOM 1668 CB MET X 100 71.776 15.886 -4.443 1.00 1.00 C ATOM 1669 CG MET X 100 72.410 16.445 -5.718 1.00 1.00 C ATOM 1670 SD MET X 100 71.129 17.213 -6.741 1.00 1.00 S ATOM 1671 CE MET X 100 72.198 17.696 -8.117 1.00 1.00 C ATOM 1672 OXT MET X 100 73.602 17.119 -2.540 1.00 1.00 O ATOM 0 H MET X 100 71.346 15.021 -2.103 1.00 1.00 H new ATOM 0 HA MET X 100 73.285 14.363 -4.219 1.00 1.00 H new ATOM 0 HB2 MET X 100 70.967 15.201 -4.696 1.00 1.00 H new ATOM 0 HB3 MET X 100 71.338 16.694 -3.857 1.00 1.00 H new ATOM 0 HG2 MET X 100 73.176 17.178 -5.465 1.00 1.00 H new ATOM 0 HG3 MET X 100 72.903 15.646 -6.272 1.00 1.00 H new ATOM 0 HE1 MET X 100 71.604 18.198 -8.881 1.00 1.00 H new ATOM 0 HE2 MET X 100 72.972 18.373 -7.756 1.00 1.00 H new ATOM 0 HE3 MET X 100 72.664 16.808 -8.545 1.00 1.00 H new TER 1682 MET X 100