USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 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 159:sc= -0.136 (180deg=-1.05) USER MOD Single : X 1 MET N :NH3+ -135:sc= -0.0298 (180deg=-0.605) USER MOD Single : X 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= -0.255 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.5!) USER MOD Single : X 16 LYS NZ :NH3+ -149:sc= -1.45 (180deg=-2.11) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -25:sc= 0.72 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 169:sc= -0.132 (180deg=-0.405) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 172:sc= 0.0601 (180deg=0.0465) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= -0.83 K(o=-0.83,f=-3.9!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 78:sc= 0.425 USER MOD Single : X 64 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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= -0.142 K(o=-0.14,f=-2.1!) USER MOD Single : X 69 THR OG1 : rot 98:sc= 0.762 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -170:sc= -0.691 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -112:sc= 1.83 USER MOD Single : X 84 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.5!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.207 K(o=0.21,f=-0.49) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 100 MET CE :methyl -153:sc= -0.119 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 72.290 -6.393 -0.961 1.00 1.00 N ATOM 2 CA MET X 1 71.714 -7.573 -0.255 1.00 1.00 C ATOM 3 C MET X 1 71.183 -8.574 -1.284 1.00 1.00 C ATOM 4 O MET X 1 71.640 -8.624 -2.409 1.00 1.00 O ATOM 5 CB MET X 1 70.569 -7.117 0.650 1.00 1.00 C ATOM 6 CG MET X 1 71.115 -6.179 1.728 1.00 1.00 C ATOM 7 SD MET X 1 69.749 -5.582 2.757 1.00 1.00 S ATOM 8 CE MET X 1 69.360 -7.160 3.553 1.00 1.00 C ATOM 0 H1 MET X 1 73.203 -6.143 -0.531 1.00 1.00 H new ATOM 0 H2 MET X 1 72.431 -6.624 -1.965 1.00 1.00 H new ATOM 0 H3 MET X 1 71.637 -5.587 -0.880 1.00 1.00 H new ATOM 0 HA MET X 1 72.487 -8.048 0.349 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.807 -6.607 0.061 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.090 -7.980 1.112 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.847 -6.702 2.344 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.631 -5.337 1.266 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.816 -6.976 4.480 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.745 -7.763 2.885 1.00 1.00 H new ATOM 0 HE3 MET X 1 70.284 -7.693 3.775 1.00 1.00 H new ATOM 20 N GLY X 2 70.220 -9.370 -0.908 1.00 1.00 N ATOM 21 CA GLY X 2 69.658 -10.363 -1.867 1.00 1.00 C ATOM 22 C GLY X 2 70.596 -11.567 -1.967 1.00 1.00 C ATOM 23 O GLY X 2 70.525 -12.348 -2.895 1.00 1.00 O ATOM 0 H GLY X 2 69.798 -9.376 0.021 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.671 -10.685 -1.536 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.532 -9.905 -2.848 1.00 1.00 H new ATOM 27 N GLN X 3 71.479 -11.723 -1.018 1.00 1.00 N ATOM 28 CA GLN X 3 72.421 -12.878 -1.058 1.00 1.00 C ATOM 29 C GLN X 3 72.386 -13.612 0.283 1.00 1.00 C ATOM 30 O GLN X 3 71.961 -13.074 1.287 1.00 1.00 O ATOM 31 CB GLN X 3 73.839 -12.368 -1.326 1.00 1.00 C ATOM 32 CG GLN X 3 73.939 -11.860 -2.765 1.00 1.00 C ATOM 33 CD GLN X 3 75.364 -11.379 -3.041 1.00 1.00 C ATOM 34 OE1 GLN X 3 75.842 -10.461 -2.405 1.00 1.00 O ATOM 35 NE2 GLN X 3 76.068 -11.965 -3.970 1.00 1.00 N ATOM 0 H GLN X 3 71.589 -11.101 -0.217 1.00 1.00 H new ATOM 0 HA GLN X 3 72.125 -13.563 -1.853 1.00 1.00 H new ATOM 0 HB2 GLN X 3 74.086 -11.567 -0.629 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.561 -13.168 -1.161 1.00 1.00 H new ATOM 0 HG2 GLN X 3 73.671 -12.655 -3.461 1.00 1.00 H new ATOM 0 HG3 GLN X 3 73.232 -11.046 -2.924 1.00 1.00 H new ATOM 0 HE21 GLN X 3 75.667 -12.736 -4.504 1.00 1.00 H new ATOM 0 HE22 GLN X 3 77.020 -11.652 -4.162 1.00 1.00 H new ATOM 44 N GLU X 4 72.829 -14.840 0.310 1.00 1.00 N ATOM 45 CA GLU X 4 72.822 -15.607 1.588 1.00 1.00 C ATOM 46 C GLU X 4 73.650 -14.863 2.637 1.00 1.00 C ATOM 47 O GLU X 4 74.709 -14.339 2.350 1.00 1.00 O ATOM 48 CB GLU X 4 73.426 -16.993 1.353 1.00 1.00 C ATOM 49 CG GLU X 4 72.559 -17.767 0.358 1.00 1.00 C ATOM 50 CD GLU X 4 71.180 -18.018 0.971 1.00 1.00 C ATOM 51 OE1 GLU X 4 71.072 -17.958 2.184 1.00 1.00 O ATOM 52 OE2 GLU X 4 70.254 -18.264 0.216 1.00 1.00 O ATOM 0 H GLU X 4 73.195 -15.345 -0.497 1.00 1.00 H new ATOM 0 HA GLU X 4 71.796 -15.711 1.942 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.442 -16.898 0.969 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.491 -17.537 2.295 1.00 1.00 H new ATOM 0 HG2 GLU X 4 72.459 -17.203 -0.569 1.00 1.00 H new ATOM 0 HG3 GLU X 4 73.034 -18.715 0.105 1.00 1.00 H new ATOM 59 N LEU X 5 73.175 -14.810 3.852 1.00 1.00 N ATOM 60 CA LEU X 5 73.935 -14.097 4.918 1.00 1.00 C ATOM 61 C LEU X 5 74.722 -15.112 5.750 1.00 1.00 C ATOM 62 O LEU X 5 74.174 -15.808 6.581 1.00 1.00 O ATOM 63 CB LEU X 5 72.959 -13.342 5.823 1.00 1.00 C ATOM 64 CG LEU X 5 72.412 -12.122 5.082 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.290 -11.485 5.904 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.537 -11.104 4.879 1.00 1.00 C ATOM 0 H LEU X 5 72.295 -15.229 4.152 1.00 1.00 H new ATOM 0 HA LEU X 5 74.626 -13.390 4.460 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.140 -13.998 6.119 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.463 -13.029 6.737 1.00 1.00 H new ATOM 0 HG LEU X 5 72.020 -12.431 4.113 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.900 -10.615 5.375 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.489 -12.210 6.050 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.680 -11.175 6.874 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.149 -10.233 4.351 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.928 -10.796 5.849 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.336 -11.557 4.293 1.00 1.00 H new ATOM 78 N SER X 6 76.007 -15.201 5.533 1.00 1.00 N ATOM 79 CA SER X 6 76.831 -16.164 6.316 1.00 1.00 C ATOM 80 C SER X 6 77.130 -15.578 7.697 1.00 1.00 C ATOM 81 O SER X 6 76.851 -14.427 7.967 1.00 1.00 O ATOM 82 CB SER X 6 78.145 -16.426 5.579 1.00 1.00 C ATOM 83 OG SER X 6 78.931 -15.242 5.587 1.00 1.00 O ATOM 0 H SER X 6 76.521 -14.648 4.847 1.00 1.00 H new ATOM 0 HA SER X 6 76.284 -17.100 6.430 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.688 -17.240 6.058 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.945 -16.737 4.554 1.00 1.00 H new ATOM 0 HG SER X 6 79.775 -15.406 5.117 1.00 1.00 H new ATOM 89 N GLN X 7 77.694 -16.361 8.575 1.00 1.00 N ATOM 90 CA GLN X 7 78.007 -15.848 9.939 1.00 1.00 C ATOM 91 C GLN X 7 78.898 -14.609 9.825 1.00 1.00 C ATOM 92 O GLN X 7 78.726 -13.641 10.538 1.00 1.00 O ATOM 93 CB GLN X 7 78.737 -16.930 10.738 1.00 1.00 C ATOM 94 CG GLN X 7 77.782 -18.092 11.020 1.00 1.00 C ATOM 95 CD GLN X 7 78.516 -19.175 11.814 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.654 -18.997 12.199 1.00 1.00 O ATOM 97 NE2 GLN X 7 77.907 -20.300 12.076 1.00 1.00 N ATOM 0 H GLN X 7 77.952 -17.334 8.407 1.00 1.00 H new ATOM 0 HA GLN X 7 77.080 -15.584 10.449 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.604 -17.285 10.181 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.109 -16.516 11.675 1.00 1.00 H new ATOM 0 HG2 GLN X 7 76.917 -17.738 11.581 1.00 1.00 H new ATOM 0 HG3 GLN X 7 77.407 -18.504 10.083 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.951 -20.450 11.753 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.387 -21.029 12.604 1.00 1.00 H new ATOM 106 N HIS X 8 79.850 -14.632 8.932 1.00 1.00 N ATOM 107 CA HIS X 8 80.750 -13.455 8.772 1.00 1.00 C ATOM 108 C HIS X 8 79.950 -12.267 8.237 1.00 1.00 C ATOM 109 O HIS X 8 80.059 -11.161 8.728 1.00 1.00 O ATOM 110 CB HIS X 8 81.869 -13.800 7.787 1.00 1.00 C ATOM 111 CG HIS X 8 82.822 -12.642 7.685 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.743 -12.351 8.681 1.00 1.00 N ATOM 113 CD2 HIS X 8 83.011 -11.692 6.711 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.439 -11.267 8.289 1.00 1.00 C ATOM 115 NE2 HIS X 8 84.031 -10.828 7.097 1.00 1.00 N ATOM 0 H HIS X 8 80.043 -15.415 8.307 1.00 1.00 H new ATOM 0 HA HIS X 8 81.182 -13.195 9.739 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.399 -14.692 8.120 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.449 -14.026 6.807 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.454 -11.626 5.788 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.229 -10.810 8.867 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.391 -10.027 6.578 1.00 1.00 H new ATOM 123 N GLU X 9 79.143 -12.486 7.235 1.00 1.00 N ATOM 124 CA GLU X 9 78.343 -11.365 6.665 1.00 1.00 C ATOM 125 C GLU X 9 77.391 -10.824 7.735 1.00 1.00 C ATOM 126 O GLU X 9 77.167 -9.635 7.838 1.00 1.00 O ATOM 127 CB GLU X 9 77.534 -11.872 5.470 1.00 1.00 C ATOM 128 CG GLU X 9 78.486 -12.292 4.349 1.00 1.00 C ATOM 129 CD GLU X 9 77.677 -12.825 3.165 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.463 -12.709 3.202 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.286 -13.339 2.241 1.00 1.00 O ATOM 0 H GLU X 9 79.003 -13.392 6.787 1.00 1.00 H new ATOM 0 HA GLU X 9 79.012 -10.569 6.338 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.913 -12.717 5.770 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.861 -11.091 5.116 1.00 1.00 H new ATOM 0 HG2 GLU X 9 79.093 -11.442 4.035 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.172 -13.059 4.709 1.00 1.00 H new ATOM 138 N ARG X 10 76.832 -11.691 8.535 1.00 1.00 N ATOM 139 CA ARG X 10 75.900 -11.229 9.603 1.00 1.00 C ATOM 140 C ARG X 10 76.646 -10.307 10.570 1.00 1.00 C ATOM 141 O ARG X 10 76.126 -9.302 11.011 1.00 1.00 O ATOM 142 CB ARG X 10 75.361 -12.439 10.367 1.00 1.00 C ATOM 143 CG ARG X 10 74.354 -13.189 9.492 1.00 1.00 C ATOM 144 CD ARG X 10 73.889 -14.455 10.216 1.00 1.00 C ATOM 145 NE ARG X 10 72.904 -15.181 9.365 1.00 1.00 N ATOM 146 CZ ARG X 10 72.153 -16.112 9.887 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.265 -16.407 11.153 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.290 -16.749 9.142 1.00 1.00 N ATOM 0 H ARG X 10 76.980 -12.699 8.495 1.00 1.00 H new ATOM 0 HA ARG X 10 75.071 -10.685 9.150 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.181 -13.101 10.645 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.884 -12.115 11.292 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.500 -12.549 9.272 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.810 -13.450 8.537 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.743 -15.098 10.432 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.437 -14.194 11.173 1.00 1.00 H new ATOM 0 HE ARG X 10 72.817 -14.950 8.375 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.939 -15.910 11.735 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.678 -17.135 11.561 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.203 -16.519 8.152 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.703 -17.477 9.550 1.00 1.00 H new ATOM 162 N TYR X 11 77.862 -10.643 10.907 1.00 1.00 N ATOM 163 CA TYR X 11 78.642 -9.777 11.833 1.00 1.00 C ATOM 164 C TYR X 11 78.798 -8.384 11.219 1.00 1.00 C ATOM 165 O TYR X 11 78.775 -7.385 11.910 1.00 1.00 O ATOM 166 CB TYR X 11 80.026 -10.389 12.064 1.00 1.00 C ATOM 167 CG TYR X 11 80.848 -9.466 12.929 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.713 -9.506 14.323 1.00 1.00 C ATOM 169 CD2 TYR X 11 81.745 -8.568 12.339 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.477 -8.650 15.125 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.508 -7.711 13.141 1.00 1.00 C ATOM 172 CZ TYR X 11 82.374 -7.752 14.534 1.00 1.00 C ATOM 173 OH TYR X 11 83.126 -6.908 15.326 1.00 1.00 O ATOM 0 H TYR X 11 78.347 -11.479 10.581 1.00 1.00 H new ATOM 0 HA TYR X 11 78.116 -9.699 12.785 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.929 -11.363 12.543 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.527 -10.552 11.110 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.020 -10.197 14.779 1.00 1.00 H new ATOM 0 HD2 TYR X 11 81.849 -8.536 11.264 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.375 -8.682 16.200 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.200 -7.018 12.685 1.00 1.00 H new ATOM 0 HH TYR X 11 83.698 -6.350 14.759 1.00 1.00 H new ATOM 183 N VAL X 12 78.959 -8.310 9.925 1.00 1.00 N ATOM 184 CA VAL X 12 79.109 -6.980 9.271 1.00 1.00 C ATOM 185 C VAL X 12 77.850 -6.149 9.519 1.00 1.00 C ATOM 186 O VAL X 12 77.919 -4.979 9.839 1.00 1.00 O ATOM 187 CB VAL X 12 79.304 -7.168 7.766 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.521 -5.807 7.106 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.527 -8.055 7.519 1.00 1.00 C ATOM 0 H VAL X 12 78.993 -9.111 9.295 1.00 1.00 H new ATOM 0 HA VAL X 12 79.976 -6.466 9.688 1.00 1.00 H new ATOM 0 HB VAL X 12 78.419 -7.641 7.341 1.00 1.00 H new ATOM 0 HG11 VAL X 12 79.660 -5.941 6.033 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.651 -5.174 7.283 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.407 -5.334 7.530 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.668 -8.190 6.447 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.412 -7.581 7.944 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.373 -9.026 7.990 1.00 1.00 H new ATOM 199 N GLU X 13 76.699 -6.745 9.375 1.00 1.00 N ATOM 200 CA GLU X 13 75.437 -5.992 9.606 1.00 1.00 C ATOM 201 C GLU X 13 75.467 -5.371 11.003 1.00 1.00 C ATOM 202 O GLU X 13 75.179 -4.204 11.180 1.00 1.00 O ATOM 203 CB GLU X 13 74.245 -6.944 9.496 1.00 1.00 C ATOM 204 CG GLU X 13 72.945 -6.161 9.698 1.00 1.00 C ATOM 205 CD GLU X 13 71.754 -7.117 9.619 1.00 1.00 C ATOM 206 OE1 GLU X 13 71.940 -8.226 9.146 1.00 1.00 O ATOM 207 OE2 GLU X 13 70.676 -6.723 10.033 1.00 1.00 O ATOM 0 H GLU X 13 76.579 -7.722 9.107 1.00 1.00 H new ATOM 0 HA GLU X 13 75.340 -5.205 8.858 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.242 -7.429 8.520 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.326 -7.733 10.243 1.00 1.00 H new ATOM 0 HG2 GLU X 13 72.958 -5.659 10.665 1.00 1.00 H new ATOM 0 HG3 GLU X 13 72.853 -5.386 8.937 1.00 1.00 H new ATOM 214 N GLN X 14 75.815 -6.139 12.000 1.00 1.00 N ATOM 215 CA GLN X 14 75.871 -5.580 13.380 1.00 1.00 C ATOM 216 C GLN X 14 76.981 -4.531 13.442 1.00 1.00 C ATOM 217 O GLN X 14 76.866 -3.532 14.124 1.00 1.00 O ATOM 218 CB GLN X 14 76.173 -6.702 14.375 1.00 1.00 C ATOM 219 CG GLN X 14 76.197 -6.133 15.795 1.00 1.00 C ATOM 220 CD GLN X 14 76.377 -7.273 16.800 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.093 -8.415 16.497 1.00 1.00 O ATOM 222 NE2 GLN X 14 76.839 -7.010 17.992 1.00 1.00 N ATOM 0 H GLN X 14 76.062 -7.125 11.919 1.00 1.00 H new ATOM 0 HA GLN X 14 74.914 -5.124 13.634 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.417 -7.484 14.298 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.133 -7.162 14.140 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.010 -5.414 15.896 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.270 -5.597 15.999 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.077 -6.051 18.247 1.00 1.00 H new ATOM 0 HE22 GLN X 14 76.962 -7.763 18.669 1.00 1.00 H new ATOM 231 N LEU X 15 78.060 -4.755 12.746 1.00 1.00 N ATOM 232 CA LEU X 15 79.175 -3.771 12.771 1.00 1.00 C ATOM 233 C LEU X 15 78.680 -2.449 12.183 1.00 1.00 C ATOM 234 O LEU X 15 78.978 -1.383 12.683 1.00 1.00 O ATOM 235 CB LEU X 15 80.343 -4.299 11.935 1.00 1.00 C ATOM 236 CG LEU X 15 81.483 -3.280 11.954 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.951 -3.063 13.394 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.649 -3.807 11.114 1.00 1.00 C ATOM 0 H LEU X 15 78.217 -5.576 12.162 1.00 1.00 H new ATOM 0 HA LEU X 15 79.511 -3.617 13.797 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.687 -5.254 12.333 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.019 -4.479 10.910 1.00 1.00 H new ATOM 0 HG LEU X 15 81.132 -2.335 11.540 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.764 -2.337 13.407 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.121 -2.690 13.994 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.302 -4.008 13.809 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.463 -3.082 11.126 1.00 1.00 H new ATOM 0 HD22 LEU X 15 82.999 -4.752 11.529 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.317 -3.963 10.088 1.00 1.00 H new ATOM 250 N LYS X 16 77.925 -2.516 11.120 1.00 1.00 N ATOM 251 CA LYS X 16 77.408 -1.269 10.489 1.00 1.00 C ATOM 252 C LYS X 16 76.532 -0.516 11.490 1.00 1.00 C ATOM 253 O LYS X 16 76.622 0.688 11.624 1.00 1.00 O ATOM 254 CB LYS X 16 76.577 -1.628 9.255 1.00 1.00 C ATOM 255 CG LYS X 16 76.121 -0.347 8.556 1.00 1.00 C ATOM 256 CD LYS X 16 75.366 -0.705 7.275 1.00 1.00 C ATOM 257 CE LYS X 16 74.925 0.577 6.566 1.00 1.00 C ATOM 258 NZ LYS X 16 74.196 0.226 5.314 1.00 1.00 N ATOM 0 H LYS X 16 77.644 -3.382 10.661 1.00 1.00 H new ATOM 0 HA LYS X 16 78.246 -0.638 10.193 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.167 -2.238 8.571 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.712 -2.223 9.547 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.479 0.233 9.219 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.983 0.278 8.320 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.004 -1.296 6.617 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.497 -1.319 7.512 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.282 1.165 7.221 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.793 1.194 6.333 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.350 0.969 4.603 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.550 -0.681 4.949 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.179 0.145 5.516 1.00 1.00 H new ATOM 272 N GLN X 17 75.683 -1.213 12.195 1.00 1.00 N ATOM 273 CA GLN X 17 74.805 -0.529 13.183 1.00 1.00 C ATOM 274 C GLN X 17 75.674 0.255 14.167 1.00 1.00 C ATOM 275 O GLN X 17 75.414 1.406 14.460 1.00 1.00 O ATOM 276 CB GLN X 17 73.984 -1.571 13.946 1.00 1.00 C ATOM 277 CG GLN X 17 72.967 -2.212 12.999 1.00 1.00 C ATOM 278 CD GLN X 17 72.227 -3.335 13.728 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.413 -3.533 14.912 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.388 -4.085 13.066 1.00 1.00 N ATOM 0 H GLN X 17 75.560 -2.223 12.129 1.00 1.00 H new ATOM 0 HA GLN X 17 74.130 0.152 12.664 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.642 -2.335 14.362 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.470 -1.102 14.785 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.258 -1.462 12.649 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.473 -2.608 12.118 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.231 -3.920 12.072 1.00 1.00 H new ATOM 0 HE22 GLN X 17 70.890 -4.836 13.543 1.00 1.00 H new ATOM 289 N ALA X 18 76.706 -0.360 14.678 1.00 1.00 N ATOM 290 CA ALA X 18 77.598 0.349 15.636 1.00 1.00 C ATOM 291 C ALA X 18 78.284 1.514 14.922 1.00 1.00 C ATOM 292 O ALA X 18 78.426 2.591 15.465 1.00 1.00 O ATOM 293 CB ALA X 18 78.657 -0.621 16.162 1.00 1.00 C ATOM 0 H ALA X 18 76.969 -1.324 14.472 1.00 1.00 H new ATOM 0 HA ALA X 18 77.008 0.728 16.470 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.310 -0.102 16.863 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.168 -1.453 16.669 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.248 -1.001 15.329 1.00 1.00 H new ATOM 299 N LEU X 19 78.711 1.308 13.706 1.00 1.00 N ATOM 300 CA LEU X 19 79.385 2.406 12.961 1.00 1.00 C ATOM 301 C LEU X 19 78.387 3.539 12.719 1.00 1.00 C ATOM 302 O LEU X 19 78.732 4.704 12.758 1.00 1.00 O ATOM 303 CB LEU X 19 79.894 1.877 11.617 1.00 1.00 C ATOM 304 CG LEU X 19 81.054 0.908 11.854 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.428 0.224 10.538 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.263 1.684 12.385 1.00 1.00 C ATOM 0 H LEU X 19 78.622 0.428 13.198 1.00 1.00 H new ATOM 0 HA LEU X 19 80.227 2.779 13.544 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.088 1.372 11.084 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.221 2.705 10.989 1.00 1.00 H new ATOM 0 HG LEU X 19 80.754 0.154 12.582 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.254 -0.466 10.709 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.568 -0.327 10.157 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.728 0.977 9.809 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.091 0.996 12.555 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.561 2.437 11.656 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.999 2.172 13.323 1.00 1.00 H new ATOM 318 N LYS X 20 77.150 3.208 12.471 1.00 1.00 N ATOM 319 CA LYS X 20 76.131 4.265 12.225 1.00 1.00 C ATOM 320 C LYS X 20 76.002 5.140 13.472 1.00 1.00 C ATOM 321 O LYS X 20 75.840 6.342 13.387 1.00 1.00 O ATOM 322 CB LYS X 20 74.782 3.612 11.918 1.00 1.00 C ATOM 323 CG LYS X 20 73.765 4.690 11.540 1.00 1.00 C ATOM 324 CD LYS X 20 72.438 4.033 11.155 1.00 1.00 C ATOM 325 CE LYS X 20 71.430 5.110 10.753 1.00 1.00 C ATOM 326 NZ LYS X 20 70.122 4.472 10.435 1.00 1.00 N ATOM 0 H LYS X 20 76.801 2.250 12.428 1.00 1.00 H new ATOM 0 HA LYS X 20 76.437 4.878 11.377 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.890 2.897 11.102 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.430 3.054 12.786 1.00 1.00 H new ATOM 0 HG2 LYS X 20 73.615 5.372 12.377 1.00 1.00 H new ATOM 0 HG3 LYS X 20 74.143 5.285 10.708 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.591 3.338 10.330 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.051 3.453 11.993 1.00 1.00 H new ATOM 0 HE2 LYS X 20 71.308 5.830 11.563 1.00 1.00 H new ATOM 0 HE3 LYS X 20 71.797 5.662 9.888 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 69.436 5.204 10.161 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 70.245 3.802 9.649 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.771 3.964 11.272 1.00 1.00 H new ATOM 340 N THR X 21 76.072 4.546 14.632 1.00 1.00 N ATOM 341 CA THR X 21 75.955 5.342 15.885 1.00 1.00 C ATOM 342 C THR X 21 77.157 6.281 16.001 1.00 1.00 C ATOM 343 O THR X 21 77.053 7.378 16.513 1.00 1.00 O ATOM 344 CB THR X 21 75.927 4.396 17.087 1.00 1.00 C ATOM 345 OG1 THR X 21 77.128 3.637 17.118 1.00 1.00 O ATOM 346 CG2 THR X 21 74.728 3.454 16.970 1.00 1.00 C ATOM 0 H THR X 21 76.205 3.544 14.765 1.00 1.00 H new ATOM 0 HA THR X 21 75.036 5.928 15.863 1.00 1.00 H new ATOM 0 HB THR X 21 75.840 4.977 18.005 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.503 3.581 16.214 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.709 2.781 17.827 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.808 4.038 16.947 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.811 2.871 16.053 1.00 1.00 H new ATOM 354 N ARG X 22 78.299 5.860 15.528 1.00 1.00 N ATOM 355 CA ARG X 22 79.503 6.732 15.609 1.00 1.00 C ATOM 356 C ARG X 22 79.346 7.900 14.634 1.00 1.00 C ATOM 357 O ARG X 22 80.008 8.912 14.751 1.00 1.00 O ATOM 358 CB ARG X 22 80.746 5.922 15.236 1.00 1.00 C ATOM 359 CG ARG X 22 80.923 4.774 16.232 1.00 1.00 C ATOM 360 CD ARG X 22 82.077 3.878 15.779 1.00 1.00 C ATOM 361 NE ARG X 22 83.374 4.544 16.083 1.00 1.00 N ATOM 362 CZ ARG X 22 83.922 4.405 17.260 1.00 1.00 C ATOM 363 NH1 ARG X 22 83.330 3.687 18.176 1.00 1.00 N ATOM 364 NH2 ARG X 22 85.060 4.986 17.523 1.00 1.00 N ATOM 0 H ARG X 22 78.449 4.951 15.090 1.00 1.00 H new ATOM 0 HA ARG X 22 79.610 7.114 16.624 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.647 5.528 14.224 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.627 6.563 15.243 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.125 5.170 17.227 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.003 4.193 16.301 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.024 2.915 16.286 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.000 3.680 14.710 1.00 1.00 H new ATOM 0 HE ARG X 22 83.835 5.110 15.370 1.00 1.00 H new ATOM 0 HH11 ARG X 22 82.439 3.234 17.972 1.00 1.00 H new ATOM 0 HH12 ARG X 22 83.759 3.579 19.095 1.00 1.00 H new ATOM 0 HH21 ARG X 22 85.522 5.549 16.809 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.488 4.877 18.443 1.00 1.00 H new ATOM 378 N GLY X 23 78.479 7.767 13.669 1.00 1.00 N ATOM 379 CA GLY X 23 78.283 8.872 12.690 1.00 1.00 C ATOM 380 C GLY X 23 78.623 8.370 11.285 1.00 1.00 C ATOM 381 O GLY X 23 79.334 9.013 10.540 1.00 1.00 O ATOM 0 H GLY X 23 77.899 6.942 13.516 1.00 1.00 H new ATOM 0 HA2 GLY X 23 77.252 9.224 12.723 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.918 9.720 12.949 1.00 1.00 H new ATOM 385 N VAL X 24 78.120 7.222 10.920 1.00 1.00 N ATOM 386 CA VAL X 24 78.412 6.676 9.565 1.00 1.00 C ATOM 387 C VAL X 24 77.101 6.458 8.810 1.00 1.00 C ATOM 388 O VAL X 24 76.156 5.904 9.336 1.00 1.00 O ATOM 389 CB VAL X 24 79.150 5.343 9.702 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.279 4.688 8.325 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.545 5.590 10.279 1.00 1.00 C ATOM 0 H VAL X 24 77.519 6.639 11.502 1.00 1.00 H new ATOM 0 HA VAL X 24 79.034 7.381 9.015 1.00 1.00 H new ATOM 0 HB VAL X 24 78.591 4.685 10.368 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.805 3.738 8.422 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.286 4.513 7.911 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.838 5.346 7.660 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.072 4.641 10.377 1.00 1.00 H new ATOM 0 HG22 VAL X 24 81.103 6.247 9.613 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.456 6.058 11.259 1.00 1.00 H new ATOM 401 N LYS X 25 77.032 6.891 7.582 1.00 1.00 N ATOM 402 CA LYS X 25 75.779 6.705 6.799 1.00 1.00 C ATOM 403 C LYS X 25 76.128 6.182 5.405 1.00 1.00 C ATOM 404 O LYS X 25 76.372 6.942 4.489 1.00 1.00 O ATOM 405 CB LYS X 25 75.053 8.047 6.674 1.00 1.00 C ATOM 406 CG LYS X 25 74.611 8.520 8.060 1.00 1.00 C ATOM 407 CD LYS X 25 73.880 9.858 7.935 1.00 1.00 C ATOM 408 CE LYS X 25 73.425 10.323 9.319 1.00 1.00 C ATOM 409 NZ LYS X 25 72.643 11.584 9.187 1.00 1.00 N ATOM 0 H LYS X 25 77.788 7.365 7.088 1.00 1.00 H new ATOM 0 HA LYS X 25 75.133 5.989 7.306 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.711 8.787 6.218 1.00 1.00 H new ATOM 0 HB3 LYS X 25 74.187 7.944 6.020 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.957 7.778 8.517 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.477 8.627 8.713 1.00 1.00 H new ATOM 0 HD2 LYS X 25 74.538 10.603 7.488 1.00 1.00 H new ATOM 0 HD3 LYS X 25 73.020 9.754 7.274 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.816 9.552 9.791 1.00 1.00 H new ATOM 0 HE3 LYS X 25 74.290 10.484 9.963 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 72.333 11.901 10.128 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 73.239 12.318 8.753 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.810 11.415 8.587 1.00 1.00 H new ATOM 423 N VAL X 26 76.157 4.887 5.239 1.00 1.00 N ATOM 424 CA VAL X 26 76.489 4.314 3.905 1.00 1.00 C ATOM 425 C VAL X 26 75.488 3.209 3.566 1.00 1.00 C ATOM 426 O VAL X 26 74.805 2.689 4.426 1.00 1.00 O ATOM 427 CB VAL X 26 77.904 3.733 3.937 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.909 4.848 4.233 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.990 2.667 5.030 1.00 1.00 C ATOM 0 H VAL X 26 75.965 4.202 5.970 1.00 1.00 H new ATOM 0 HA VAL X 26 76.437 5.096 3.148 1.00 1.00 H new ATOM 0 HB VAL X 26 78.135 3.285 2.971 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.917 4.433 4.256 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.847 5.609 3.455 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.680 5.297 5.199 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.997 2.252 5.055 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.759 3.117 5.996 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.275 1.872 4.820 1.00 1.00 H new ATOM 439 N LYS X 27 75.397 2.844 2.316 1.00 1.00 N ATOM 440 CA LYS X 27 74.443 1.771 1.919 1.00 1.00 C ATOM 441 C LYS X 27 75.044 0.405 2.253 1.00 1.00 C ATOM 442 O LYS X 27 76.242 0.213 2.193 1.00 1.00 O ATOM 443 CB LYS X 27 74.174 1.856 0.416 1.00 1.00 C ATOM 444 CG LYS X 27 73.557 3.216 0.081 1.00 1.00 C ATOM 445 CD LYS X 27 73.237 3.279 -1.415 1.00 1.00 C ATOM 446 CE LYS X 27 72.543 4.605 -1.732 1.00 1.00 C ATOM 447 NZ LYS X 27 73.489 5.731 -1.492 1.00 1.00 N ATOM 0 H LYS X 27 75.943 3.243 1.552 1.00 1.00 H new ATOM 0 HA LYS X 27 73.507 1.899 2.463 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.103 1.720 -0.138 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.501 1.055 0.111 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.649 3.369 0.664 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.247 4.016 0.350 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.153 3.187 -1.998 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.595 2.444 -1.696 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.207 4.613 -2.769 1.00 1.00 H new ATOM 0 HE3 LYS X 27 71.656 4.722 -1.109 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 73.089 6.609 -1.880 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.644 5.843 -0.470 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 74.396 5.528 -1.959 1.00 1.00 H new ATOM 461 N TYR X 28 74.223 -0.545 2.606 1.00 1.00 N ATOM 462 CA TYR X 28 74.752 -1.896 2.941 1.00 1.00 C ATOM 463 C TYR X 28 75.427 -2.494 1.704 1.00 1.00 C ATOM 464 O TYR X 28 76.409 -3.204 1.802 1.00 1.00 O ATOM 465 CB TYR X 28 73.600 -2.802 3.384 1.00 1.00 C ATOM 466 CG TYR X 28 74.147 -4.144 3.811 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.605 -4.328 5.121 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.196 -5.203 2.896 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.111 -5.572 5.516 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.702 -6.446 3.292 1.00 1.00 C ATOM 471 CZ TYR X 28 75.160 -6.631 4.602 1.00 1.00 C ATOM 472 OH TYR X 28 75.659 -7.857 4.991 1.00 1.00 O ATOM 0 H TYR X 28 73.210 -0.444 2.677 1.00 1.00 H new ATOM 0 HA TYR X 28 75.478 -1.814 3.750 1.00 1.00 H new ATOM 0 HB2 TYR X 28 73.057 -2.340 4.209 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.890 -2.930 2.567 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.568 -3.511 5.826 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.843 -5.060 1.885 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.464 -5.715 6.527 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.739 -7.263 2.587 1.00 1.00 H new ATOM 0 HH TYR X 28 75.620 -8.480 4.236 1.00 1.00 H new ATOM 482 N ALA X 29 74.909 -2.210 0.540 1.00 1.00 N ATOM 483 CA ALA X 29 75.521 -2.756 -0.703 1.00 1.00 C ATOM 484 C ALA X 29 76.983 -2.316 -0.785 1.00 1.00 C ATOM 485 O ALA X 29 77.832 -3.037 -1.272 1.00 1.00 O ATOM 486 CB ALA X 29 74.760 -2.228 -1.921 1.00 1.00 C ATOM 0 H ALA X 29 74.087 -1.623 0.397 1.00 1.00 H new ATOM 0 HA ALA X 29 75.469 -3.845 -0.687 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.208 -2.627 -2.831 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.717 -2.540 -1.862 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.812 -1.139 -1.939 1.00 1.00 H new ATOM 492 N ASP X 30 77.285 -1.138 -0.315 1.00 1.00 N ATOM 493 CA ASP X 30 78.693 -0.655 -0.362 1.00 1.00 C ATOM 494 C ASP X 30 79.579 -1.592 0.461 1.00 1.00 C ATOM 495 O ASP X 30 80.689 -1.907 0.079 1.00 1.00 O ATOM 496 CB ASP X 30 78.770 0.758 0.217 1.00 1.00 C ATOM 497 CG ASP X 30 78.108 1.743 -0.750 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.898 1.369 -1.892 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.825 2.853 -0.331 1.00 1.00 O ATOM 0 H ASP X 30 76.617 -0.488 0.100 1.00 1.00 H new ATOM 0 HA ASP X 30 79.037 -0.641 -1.396 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.272 0.793 1.186 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.810 1.038 0.383 1.00 1.00 H new ATOM 504 N LEU X 31 79.098 -2.040 1.587 1.00 1.00 N ATOM 505 CA LEU X 31 79.910 -2.963 2.428 1.00 1.00 C ATOM 506 C LEU X 31 80.221 -4.232 1.633 1.00 1.00 C ATOM 507 O LEU X 31 81.334 -4.722 1.636 1.00 1.00 O ATOM 508 CB LEU X 31 79.124 -3.329 3.689 1.00 1.00 C ATOM 509 CG LEU X 31 79.255 -2.205 4.717 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.695 -2.144 5.229 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.890 -0.871 4.060 1.00 1.00 C ATOM 0 H LEU X 31 78.178 -1.807 1.961 1.00 1.00 H new ATOM 0 HA LEU X 31 80.842 -2.474 2.712 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.075 -3.490 3.442 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.500 -4.263 4.106 1.00 1.00 H new ATOM 0 HG LEU X 31 78.582 -2.397 5.553 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.787 -1.342 5.962 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.956 -3.094 5.696 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.370 -1.952 4.395 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.983 -0.068 4.791 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.564 -0.681 3.224 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.863 -0.914 3.696 1.00 1.00 H new ATOM 523 N LEU X 32 79.246 -4.771 0.954 1.00 1.00 N ATOM 524 CA LEU X 32 79.490 -5.999 0.146 1.00 1.00 C ATOM 525 C LEU X 32 80.503 -5.688 -0.959 1.00 1.00 C ATOM 526 O LEU X 32 81.395 -6.465 -1.232 1.00 1.00 O ATOM 527 CB LEU X 32 78.175 -6.464 -0.484 1.00 1.00 C ATOM 528 CG LEU X 32 77.228 -6.952 0.614 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.846 -7.222 0.015 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.778 -8.242 1.226 1.00 1.00 C ATOM 0 H LEU X 32 78.291 -4.414 0.924 1.00 1.00 H new ATOM 0 HA LEU X 32 79.883 -6.786 0.789 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.715 -5.646 -1.038 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.365 -7.265 -1.198 1.00 1.00 H new ATOM 0 HG LEU X 32 77.146 -6.188 1.387 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.172 -7.570 0.798 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.453 -6.304 -0.421 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.928 -7.985 -0.759 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.104 -8.590 2.008 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.861 -9.005 0.452 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.762 -8.051 1.654 1.00 1.00 H new ATOM 542 N LYS X 33 80.373 -4.557 -1.595 1.00 1.00 N ATOM 543 CA LYS X 33 81.333 -4.197 -2.677 1.00 1.00 C ATOM 544 C LYS X 33 82.729 -4.016 -2.077 1.00 1.00 C ATOM 545 O LYS X 33 83.726 -4.314 -2.704 1.00 1.00 O ATOM 546 CB LYS X 33 80.888 -2.893 -3.343 1.00 1.00 C ATOM 547 CG LYS X 33 79.560 -3.116 -4.069 1.00 1.00 C ATOM 548 CD LYS X 33 79.089 -1.799 -4.689 1.00 1.00 C ATOM 549 CE LYS X 33 77.781 -2.030 -5.448 1.00 1.00 C ATOM 550 NZ LYS X 33 77.330 -0.750 -6.064 1.00 1.00 N ATOM 0 H LYS X 33 79.644 -3.867 -1.413 1.00 1.00 H new ATOM 0 HA LYS X 33 81.358 -4.992 -3.422 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.777 -2.109 -2.594 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.647 -2.555 -4.048 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.680 -3.873 -4.844 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.811 -3.490 -3.372 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.942 -1.050 -3.910 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.850 -1.411 -5.365 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.925 -2.786 -6.220 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.017 -2.408 -4.769 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.519 -0.932 -6.689 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.048 -0.085 -5.316 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.108 -0.338 -6.618 1.00 1.00 H new ATOM 564 N PHE X 34 82.807 -3.531 -0.868 1.00 1.00 N ATOM 565 CA PHE X 34 84.139 -3.330 -0.231 1.00 1.00 C ATOM 566 C PHE X 34 84.874 -4.669 -0.153 1.00 1.00 C ATOM 567 O PHE X 34 86.040 -4.767 -0.478 1.00 1.00 O ATOM 568 CB PHE X 34 83.950 -2.769 1.181 1.00 1.00 C ATOM 569 CG PHE X 34 85.284 -2.725 1.888 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.303 -1.894 1.405 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.500 -3.512 3.024 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.539 -1.852 2.062 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.737 -3.470 3.680 1.00 1.00 C ATOM 574 CZ PHE X 34 87.757 -2.641 3.198 1.00 1.00 C ATOM 0 H PHE X 34 82.007 -3.265 -0.294 1.00 1.00 H new ATOM 0 HA PHE X 34 84.724 -2.628 -0.826 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.519 -1.769 1.132 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.250 -3.390 1.740 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.136 -1.287 0.528 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.713 -4.152 3.395 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.325 -1.210 1.692 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.904 -4.077 4.558 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.712 -2.610 3.702 1.00 1.00 H new ATOM 584 N PHE X 35 84.202 -5.702 0.276 1.00 1.00 N ATOM 585 CA PHE X 35 84.863 -7.033 0.372 1.00 1.00 C ATOM 586 C PHE X 35 85.302 -7.484 -1.022 1.00 1.00 C ATOM 587 O PHE X 35 86.399 -7.970 -1.211 1.00 1.00 O ATOM 588 CB PHE X 35 83.879 -8.052 0.947 1.00 1.00 C ATOM 589 CG PHE X 35 83.729 -7.823 2.432 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.754 -8.205 3.307 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.565 -7.228 2.935 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.614 -7.992 4.683 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.426 -7.015 4.311 1.00 1.00 C ATOM 594 CZ PHE X 35 83.450 -7.398 5.186 1.00 1.00 C ATOM 0 H PHE X 35 83.224 -5.681 0.564 1.00 1.00 H new ATOM 0 HA PHE X 35 85.733 -6.959 1.024 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.911 -7.958 0.454 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.236 -9.065 0.758 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.652 -8.664 2.920 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.775 -6.934 2.261 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.404 -8.286 5.358 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.529 -6.555 4.698 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.342 -7.235 6.248 1.00 1.00 H new ATOM 604 N ASP X 36 84.452 -7.329 -2.001 1.00 1.00 N ATOM 605 CA ASP X 36 84.825 -7.746 -3.381 1.00 1.00 C ATOM 606 C ASP X 36 86.003 -6.898 -3.864 1.00 1.00 C ATOM 607 O ASP X 36 86.949 -7.399 -4.437 1.00 1.00 O ATOM 608 CB ASP X 36 83.633 -7.545 -4.318 1.00 1.00 C ATOM 609 CG ASP X 36 82.585 -8.626 -4.053 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.866 -9.517 -3.267 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.518 -8.548 -4.640 1.00 1.00 O ATOM 0 H ASP X 36 83.517 -6.932 -1.904 1.00 1.00 H new ATOM 0 HA ASP X 36 85.108 -8.799 -3.379 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.199 -6.557 -4.164 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.962 -7.590 -5.356 1.00 1.00 H new ATOM 616 N PHE X 37 85.952 -5.613 -3.635 1.00 1.00 N ATOM 617 CA PHE X 37 87.067 -4.731 -4.077 1.00 1.00 C ATOM 618 C PHE X 37 88.351 -5.122 -3.343 1.00 1.00 C ATOM 619 O PHE X 37 89.404 -5.250 -3.938 1.00 1.00 O ATOM 620 CB PHE X 37 86.723 -3.273 -3.760 1.00 1.00 C ATOM 621 CG PHE X 37 87.765 -2.364 -4.366 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.910 -2.025 -3.634 1.00 1.00 C ATOM 623 CD2 PHE X 37 87.588 -1.860 -5.660 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.877 -1.183 -4.196 1.00 1.00 C ATOM 625 CE2 PHE X 37 88.554 -1.018 -6.222 1.00 1.00 C ATOM 626 CZ PHE X 37 89.699 -0.679 -5.490 1.00 1.00 C ATOM 0 H PHE X 37 85.185 -5.137 -3.160 1.00 1.00 H new ATOM 0 HA PHE X 37 87.214 -4.845 -5.151 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.737 -3.027 -4.155 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.680 -3.125 -2.681 1.00 1.00 H new ATOM 0 HD1 PHE X 37 89.047 -2.413 -2.636 1.00 1.00 H new ATOM 0 HD2 PHE X 37 86.705 -2.121 -6.225 1.00 1.00 H new ATOM 0 HE1 PHE X 37 90.760 -0.922 -3.632 1.00 1.00 H new ATOM 0 HE2 PHE X 37 88.417 -0.629 -7.220 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.444 -0.029 -5.924 1.00 1.00 H new ATOM 636 N VAL X 38 88.274 -5.313 -2.055 1.00 1.00 N ATOM 637 CA VAL X 38 89.490 -5.697 -1.285 1.00 1.00 C ATOM 638 C VAL X 38 90.034 -7.026 -1.815 1.00 1.00 C ATOM 639 O VAL X 38 91.221 -7.186 -2.013 1.00 1.00 O ATOM 640 CB VAL X 38 89.128 -5.849 0.195 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.334 -6.397 0.960 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.740 -4.482 0.766 1.00 1.00 C ATOM 0 H VAL X 38 87.422 -5.220 -1.503 1.00 1.00 H new ATOM 0 HA VAL X 38 90.250 -4.924 -1.398 1.00 1.00 H new ATOM 0 HB VAL X 38 88.289 -6.538 0.297 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.078 -6.506 2.014 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.613 -7.369 0.552 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.172 -5.708 0.860 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.482 -4.588 1.820 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.579 -3.794 0.665 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.882 -4.090 0.220 1.00 1.00 H new ATOM 652 N LYS X 39 89.174 -7.982 -2.046 1.00 1.00 N ATOM 653 CA LYS X 39 89.645 -9.296 -2.567 1.00 1.00 C ATOM 654 C LYS X 39 90.225 -9.107 -3.971 1.00 1.00 C ATOM 655 O LYS X 39 91.141 -9.796 -4.374 1.00 1.00 O ATOM 656 CB LYS X 39 88.468 -10.271 -2.631 1.00 1.00 C ATOM 657 CG LYS X 39 88.069 -10.681 -1.211 1.00 1.00 C ATOM 658 CD LYS X 39 86.913 -11.681 -1.274 1.00 1.00 C ATOM 659 CE LYS X 39 86.523 -12.102 0.144 1.00 1.00 C ATOM 660 NZ LYS X 39 85.397 -13.076 0.080 1.00 1.00 N ATOM 0 H LYS X 39 88.168 -7.909 -1.896 1.00 1.00 H new ATOM 0 HA LYS X 39 90.413 -9.696 -1.905 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.623 -9.805 -3.138 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.742 -11.152 -3.212 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.921 -11.126 -0.697 1.00 1.00 H new ATOM 0 HG3 LYS X 39 87.773 -9.803 -0.637 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.058 -11.233 -1.780 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.206 -12.555 -1.856 1.00 1.00 H new ATOM 0 HE2 LYS X 39 87.378 -12.551 0.650 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.230 -11.229 0.727 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.131 -13.363 1.044 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 84.580 -12.632 -0.387 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 85.693 -13.913 -0.461 1.00 1.00 H new ATOM 674 N ASP X 40 89.700 -8.174 -4.717 1.00 1.00 N ATOM 675 CA ASP X 40 90.220 -7.934 -6.092 1.00 1.00 C ATOM 676 C ASP X 40 91.635 -7.357 -6.014 1.00 1.00 C ATOM 677 O ASP X 40 92.389 -7.408 -6.966 1.00 1.00 O ATOM 678 CB ASP X 40 89.304 -6.944 -6.816 1.00 1.00 C ATOM 679 CG ASP X 40 88.096 -7.689 -7.387 1.00 1.00 C ATOM 680 OD1 ASP X 40 88.286 -8.465 -8.308 1.00 1.00 O ATOM 681 OD2 ASP X 40 87.003 -7.470 -6.893 1.00 1.00 O ATOM 0 H ASP X 40 88.932 -7.566 -4.432 1.00 1.00 H new ATOM 0 HA ASP X 40 90.245 -8.876 -6.639 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.973 -6.168 -6.126 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.850 -6.447 -7.618 1.00 1.00 H new ATOM 686 N THR X 41 92.003 -6.805 -4.890 1.00 1.00 N ATOM 687 CA THR X 41 93.349 -6.177 -4.775 1.00 1.00 C ATOM 688 C THR X 41 94.420 -7.194 -5.175 1.00 1.00 C ATOM 689 O THR X 41 95.271 -6.921 -5.999 1.00 1.00 O ATOM 690 CB THR X 41 93.584 -5.730 -3.330 1.00 1.00 C ATOM 691 OG1 THR X 41 92.607 -4.763 -2.971 1.00 1.00 O ATOM 692 CG2 THR X 41 94.980 -5.121 -3.202 1.00 1.00 C ATOM 0 H THR X 41 91.430 -6.762 -4.047 1.00 1.00 H new ATOM 0 HA THR X 41 93.404 -5.311 -5.435 1.00 1.00 H new ATOM 0 HB THR X 41 93.505 -6.591 -2.666 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.755 -4.477 -2.045 1.00 1.00 H new ATOM 0 HG21 THR X 41 95.145 -4.803 -2.173 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.728 -5.865 -3.477 1.00 1.00 H new ATOM 0 HG23 THR X 41 95.064 -4.260 -3.865 1.00 1.00 H new ATOM 700 N CYS X 42 94.386 -8.363 -4.599 1.00 1.00 N ATOM 701 CA CYS X 42 95.431 -9.380 -4.910 1.00 1.00 C ATOM 702 C CYS X 42 94.773 -10.618 -5.521 1.00 1.00 C ATOM 703 O CYS X 42 95.024 -10.969 -6.657 1.00 1.00 O ATOM 704 CB CYS X 42 96.162 -9.772 -3.624 1.00 1.00 C ATOM 705 SG CYS X 42 97.834 -9.080 -3.646 1.00 1.00 S ATOM 0 H CYS X 42 93.679 -8.659 -3.926 1.00 1.00 H new ATOM 0 HA CYS X 42 96.145 -8.961 -5.619 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.616 -9.404 -2.756 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.207 -10.857 -3.535 1.00 1.00 H new ATOM 0 HG CYS X 42 98.455 -9.411 -2.553 1.00 1.00 H new ATOM 711 N PRO X 43 93.935 -11.272 -4.766 1.00 1.00 N ATOM 712 CA PRO X 43 93.260 -12.527 -5.204 1.00 1.00 C ATOM 713 C PRO X 43 92.805 -12.459 -6.666 1.00 1.00 C ATOM 714 O PRO X 43 93.140 -13.307 -7.470 1.00 1.00 O ATOM 715 CB PRO X 43 92.052 -12.633 -4.272 1.00 1.00 C ATOM 716 CG PRO X 43 92.435 -11.878 -3.039 1.00 1.00 C ATOM 717 CD PRO X 43 93.538 -10.883 -3.404 1.00 1.00 C ATOM 0 HA PRO X 43 93.927 -13.387 -5.151 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.161 -12.206 -4.733 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.824 -13.674 -4.041 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.571 -11.353 -2.632 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.784 -12.564 -2.267 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.175 -9.856 -3.373 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.377 -10.946 -2.711 1.00 1.00 H new ATOM 725 N TRP X 44 92.048 -11.456 -7.016 1.00 1.00 N ATOM 726 CA TRP X 44 91.578 -11.330 -8.425 1.00 1.00 C ATOM 727 C TRP X 44 92.116 -10.030 -9.029 1.00 1.00 C ATOM 728 O TRP X 44 93.297 -9.753 -8.981 1.00 1.00 O ATOM 729 CB TRP X 44 90.049 -11.309 -8.451 1.00 1.00 C ATOM 730 CG TRP X 44 89.523 -12.290 -7.453 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.022 -13.530 -7.244 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.409 -12.135 -6.527 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.284 -14.146 -6.248 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.279 -13.326 -5.775 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.508 -11.086 -6.270 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.288 -13.471 -4.803 1.00 1.00 C ATOM 737 CZ3 TRP X 44 86.511 -11.229 -5.292 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.401 -12.420 -4.560 1.00 1.00 C ATOM 0 H TRP X 44 91.734 -10.717 -6.387 1.00 1.00 H new ATOM 0 HA TRP X 44 91.941 -12.178 -9.006 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.684 -10.308 -8.221 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.688 -11.559 -9.449 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.859 -13.967 -7.768 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.461 -15.090 -5.905 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.584 -10.165 -6.829 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.208 -14.390 -4.242 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 85.825 -10.417 -5.102 1.00 1.00 H new ATOM 0 HH2 TRP X 44 85.631 -12.524 -3.809 1.00 1.00 H new ATOM 749 N PHE X 45 91.257 -9.230 -9.598 1.00 1.00 N ATOM 750 CA PHE X 45 91.713 -7.949 -10.211 1.00 1.00 C ATOM 751 C PHE X 45 90.505 -7.147 -10.702 1.00 1.00 C ATOM 752 O PHE X 45 90.443 -5.945 -10.542 1.00 1.00 O ATOM 753 CB PHE X 45 92.636 -8.252 -11.392 1.00 1.00 C ATOM 754 CG PHE X 45 93.788 -7.275 -11.396 1.00 1.00 C ATOM 755 CD1 PHE X 45 94.664 -7.221 -10.306 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.980 -6.424 -12.491 1.00 1.00 C ATOM 757 CE1 PHE X 45 95.731 -6.314 -10.309 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.047 -5.517 -12.494 1.00 1.00 C ATOM 759 CZ PHE X 45 95.923 -5.462 -11.403 1.00 1.00 C ATOM 0 H PHE X 45 90.255 -9.408 -9.665 1.00 1.00 H new ATOM 0 HA PHE X 45 92.251 -7.365 -9.464 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.012 -9.273 -11.321 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.082 -8.181 -12.328 1.00 1.00 H new ATOM 0 HD1 PHE X 45 94.517 -7.879 -9.462 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.305 -6.467 -13.333 1.00 1.00 H new ATOM 0 HE1 PHE X 45 96.406 -6.272 -9.467 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.194 -4.860 -13.338 1.00 1.00 H new ATOM 0 HZ PHE X 45 96.746 -4.763 -11.406 1.00 1.00 H new ATOM 769 N PRO X 46 89.554 -7.811 -11.302 1.00 1.00 N ATOM 770 CA PRO X 46 88.340 -7.150 -11.867 1.00 1.00 C ATOM 771 C PRO X 46 87.557 -6.368 -10.807 1.00 1.00 C ATOM 772 O PRO X 46 87.297 -6.857 -9.726 1.00 1.00 O ATOM 773 CB PRO X 46 87.495 -8.310 -12.405 1.00 1.00 C ATOM 774 CG PRO X 46 88.440 -9.454 -12.579 1.00 1.00 C ATOM 775 CD PRO X 46 89.533 -9.265 -11.508 1.00 1.00 C ATOM 0 HA PRO X 46 88.605 -6.418 -12.630 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.695 -8.566 -11.711 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.023 -8.045 -13.351 1.00 1.00 H new ATOM 0 HG2 PRO X 46 87.927 -10.407 -12.450 1.00 1.00 H new ATOM 0 HG3 PRO X 46 88.870 -9.456 -13.580 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.292 -9.798 -10.588 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.499 -9.637 -11.849 1.00 1.00 H new ATOM 783 N GLN X 47 87.183 -5.155 -11.108 1.00 1.00 N ATOM 784 CA GLN X 47 86.434 -4.337 -10.113 1.00 1.00 C ATOM 785 C GLN X 47 85.057 -3.972 -10.676 1.00 1.00 C ATOM 786 O GLN X 47 84.837 -4.004 -11.870 1.00 1.00 O ATOM 787 CB GLN X 47 87.217 -3.058 -9.811 1.00 1.00 C ATOM 788 CG GLN X 47 88.571 -3.421 -9.198 1.00 1.00 C ATOM 789 CD GLN X 47 89.432 -2.163 -9.081 1.00 1.00 C ATOM 790 OE1 GLN X 47 89.005 -1.084 -9.439 1.00 1.00 O ATOM 791 NE2 GLN X 47 90.638 -2.257 -8.591 1.00 1.00 N ATOM 0 H GLN X 47 87.364 -4.695 -12.000 1.00 1.00 H new ATOM 0 HA GLN X 47 86.307 -4.912 -9.196 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.362 -2.483 -10.726 1.00 1.00 H new ATOM 0 HB3 GLN X 47 86.653 -2.427 -9.125 1.00 1.00 H new ATOM 0 HG2 GLN X 47 88.428 -3.870 -8.215 1.00 1.00 H new ATOM 0 HG3 GLN X 47 89.075 -4.163 -9.817 1.00 1.00 H new ATOM 0 HE21 GLN X 47 90.997 -3.163 -8.290 1.00 1.00 H new ATOM 0 HE22 GLN X 47 91.221 -1.424 -8.509 1.00 1.00 H new ATOM 800 N GLU X 48 84.128 -3.631 -9.825 1.00 1.00 N ATOM 801 CA GLU X 48 82.767 -3.264 -10.312 1.00 1.00 C ATOM 802 C GLU X 48 82.804 -1.874 -10.953 1.00 1.00 C ATOM 803 O GLU X 48 83.691 -1.084 -10.695 1.00 1.00 O ATOM 804 CB GLU X 48 81.789 -3.255 -9.135 1.00 1.00 C ATOM 805 CG GLU X 48 81.583 -4.685 -8.632 1.00 1.00 C ATOM 806 CD GLU X 48 80.643 -4.671 -7.425 1.00 1.00 C ATOM 807 OE1 GLU X 48 80.120 -3.612 -7.119 1.00 1.00 O ATOM 808 OE2 GLU X 48 80.461 -5.720 -6.829 1.00 1.00 O ATOM 0 H GLU X 48 84.252 -3.591 -8.813 1.00 1.00 H new ATOM 0 HA GLU X 48 82.441 -3.994 -11.053 1.00 1.00 H new ATOM 0 HB2 GLU X 48 82.176 -2.628 -8.332 1.00 1.00 H new ATOM 0 HB3 GLU X 48 80.836 -2.826 -9.444 1.00 1.00 H new ATOM 0 HG2 GLU X 48 81.164 -5.304 -9.425 1.00 1.00 H new ATOM 0 HG3 GLU X 48 82.541 -5.126 -8.355 1.00 1.00 H new ATOM 815 N GLY X 49 81.850 -1.573 -11.792 1.00 1.00 N ATOM 816 CA GLY X 49 81.837 -0.240 -12.458 1.00 1.00 C ATOM 817 C GLY X 49 80.971 0.734 -11.655 1.00 1.00 C ATOM 818 O GLY X 49 80.881 1.903 -11.973 1.00 1.00 O ATOM 0 H GLY X 49 81.080 -2.192 -12.045 1.00 1.00 H new ATOM 0 HA2 GLY X 49 82.853 0.146 -12.540 1.00 1.00 H new ATOM 0 HA3 GLY X 49 81.449 -0.334 -13.472 1.00 1.00 H new ATOM 822 N THR X 50 80.336 0.265 -10.616 1.00 1.00 N ATOM 823 CA THR X 50 79.478 1.171 -9.801 1.00 1.00 C ATOM 824 C THR X 50 80.005 1.211 -8.366 1.00 1.00 C ATOM 825 O THR X 50 80.040 0.208 -7.679 1.00 1.00 O ATOM 826 CB THR X 50 78.039 0.651 -9.804 1.00 1.00 C ATOM 827 OG1 THR X 50 77.550 0.625 -11.138 1.00 1.00 O ATOM 828 CG2 THR X 50 77.160 1.572 -8.955 1.00 1.00 C ATOM 0 H THR X 50 80.374 -0.703 -10.297 1.00 1.00 H new ATOM 0 HA THR X 50 79.500 2.175 -10.225 1.00 1.00 H new ATOM 0 HB THR X 50 78.015 -0.356 -9.387 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.629 0.291 -11.142 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.135 1.201 -8.958 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.536 1.592 -7.932 1.00 1.00 H new ATOM 0 HG23 THR X 50 77.182 2.580 -9.370 1.00 1.00 H new ATOM 836 N ILE X 51 80.413 2.361 -7.904 1.00 1.00 N ATOM 837 CA ILE X 51 80.928 2.464 -6.510 1.00 1.00 C ATOM 838 C ILE X 51 80.352 3.715 -5.844 1.00 1.00 C ATOM 839 O ILE X 51 80.316 4.782 -6.426 1.00 1.00 O ATOM 840 CB ILE X 51 82.455 2.559 -6.539 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.032 1.870 -5.300 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.876 4.030 -6.546 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.393 2.460 -4.043 1.00 1.00 C ATOM 0 H ILE X 51 80.412 3.234 -8.432 1.00 1.00 H new ATOM 0 HA ILE X 51 80.628 1.582 -5.945 1.00 1.00 H new ATOM 0 HB ILE X 51 82.832 2.069 -7.437 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.844 0.797 -5.347 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.113 2.003 -5.268 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.964 4.097 -6.567 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.465 4.522 -7.428 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.499 4.521 -5.648 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.804 1.969 -3.161 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.604 3.528 -3.995 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.315 2.304 -4.075 1.00 1.00 H new ATOM 855 N ASP X 52 79.898 3.594 -4.626 1.00 1.00 N ATOM 856 CA ASP X 52 79.319 4.773 -3.921 1.00 1.00 C ATOM 857 C ASP X 52 80.418 5.802 -3.646 1.00 1.00 C ATOM 858 O ASP X 52 81.471 5.475 -3.135 1.00 1.00 O ATOM 859 CB ASP X 52 78.702 4.320 -2.596 1.00 1.00 C ATOM 860 CG ASP X 52 78.065 5.521 -1.893 1.00 1.00 C ATOM 861 OD1 ASP X 52 78.218 6.624 -2.390 1.00 1.00 O ATOM 862 OD2 ASP X 52 77.433 5.316 -0.869 1.00 1.00 O ATOM 0 H ASP X 52 79.903 2.728 -4.088 1.00 1.00 H new ATOM 0 HA ASP X 52 78.550 5.226 -4.547 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.951 3.550 -2.776 1.00 1.00 H new ATOM 0 HB3 ASP X 52 79.467 3.876 -1.959 1.00 1.00 H new ATOM 867 N ILE X 53 80.185 7.042 -3.979 1.00 1.00 N ATOM 868 CA ILE X 53 81.219 8.086 -3.731 1.00 1.00 C ATOM 869 C ILE X 53 81.377 8.298 -2.222 1.00 1.00 C ATOM 870 O ILE X 53 82.467 8.490 -1.724 1.00 1.00 O ATOM 871 CB ILE X 53 80.787 9.399 -4.386 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.841 9.250 -5.909 1.00 1.00 C ATOM 873 CG2 ILE X 53 81.731 10.522 -3.953 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.084 10.407 -6.563 1.00 1.00 C ATOM 0 H ILE X 53 79.324 7.377 -4.412 1.00 1.00 H new ATOM 0 HA ILE X 53 82.170 7.764 -4.156 1.00 1.00 H new ATOM 0 HB ILE X 53 79.770 9.640 -4.078 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.877 9.242 -6.248 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.401 8.299 -6.208 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.422 11.457 -4.420 1.00 1.00 H new ATOM 0 HG22 ILE X 53 81.696 10.629 -2.869 1.00 1.00 H new ATOM 0 HG23 ILE X 53 82.748 10.281 -4.261 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.123 10.301 -7.647 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.045 10.394 -6.234 1.00 1.00 H new ATOM 0 HD13 ILE X 53 80.544 11.352 -6.275 1.00 1.00 H new ATOM 886 N LYS X 54 80.296 8.264 -1.492 1.00 1.00 N ATOM 887 CA LYS X 54 80.386 8.470 -0.019 1.00 1.00 C ATOM 888 C LYS X 54 81.249 7.366 0.597 1.00 1.00 C ATOM 889 O LYS X 54 82.013 7.598 1.512 1.00 1.00 O ATOM 890 CB LYS X 54 78.985 8.425 0.592 1.00 1.00 C ATOM 891 CG LYS X 54 78.160 9.602 0.068 1.00 1.00 C ATOM 892 CD LYS X 54 78.431 10.836 0.929 1.00 1.00 C ATOM 893 CE LYS X 54 77.581 12.006 0.426 1.00 1.00 C ATOM 894 NZ LYS X 54 77.725 13.160 1.357 1.00 1.00 N ATOM 0 H LYS X 54 79.355 8.103 -1.852 1.00 1.00 H new ATOM 0 HA LYS X 54 80.837 9.441 0.185 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.497 7.484 0.339 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.050 8.468 1.679 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.417 9.807 -0.971 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.099 9.355 0.091 1.00 1.00 H new ATOM 0 HD2 LYS X 54 78.196 10.624 1.972 1.00 1.00 H new ATOM 0 HD3 LYS X 54 79.489 11.097 0.887 1.00 1.00 H new ATOM 0 HE2 LYS X 54 77.895 12.293 -0.577 1.00 1.00 H new ATOM 0 HE3 LYS X 54 76.535 11.707 0.359 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 77.148 13.955 1.016 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.405 12.882 2.307 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 78.723 13.450 1.399 1.00 1.00 H new ATOM 908 N PHE X 55 81.133 6.165 0.099 1.00 1.00 N ATOM 909 CA PHE X 55 81.932 5.042 0.668 1.00 1.00 C ATOM 910 C PHE X 55 83.377 5.151 0.179 1.00 1.00 C ATOM 911 O PHE X 55 84.292 4.657 0.809 1.00 1.00 O ATOM 912 CB PHE X 55 81.333 3.708 0.214 1.00 1.00 C ATOM 913 CG PHE X 55 81.929 2.582 1.026 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.348 2.214 2.245 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.064 1.908 0.558 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.903 1.172 2.998 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.618 0.865 1.311 1.00 1.00 C ATOM 918 CZ PHE X 55 83.038 0.497 2.530 1.00 1.00 C ATOM 0 H PHE X 55 80.520 5.913 -0.676 1.00 1.00 H new ATOM 0 HA PHE X 55 81.913 5.093 1.757 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.250 3.724 0.336 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.532 3.550 -0.846 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.472 2.733 2.605 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.512 2.192 -0.383 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.456 0.889 3.940 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.493 0.345 0.951 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.465 -0.307 3.110 1.00 1.00 H new ATOM 928 N TRP X 56 83.595 5.794 -0.935 1.00 1.00 N ATOM 929 CA TRP X 56 84.985 5.919 -1.459 1.00 1.00 C ATOM 930 C TRP X 56 85.871 6.592 -0.409 1.00 1.00 C ATOM 931 O TRP X 56 87.030 6.257 -0.256 1.00 1.00 O ATOM 932 CB TRP X 56 84.974 6.766 -2.734 1.00 1.00 C ATOM 933 CG TRP X 56 86.368 7.198 -3.055 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.471 6.429 -2.915 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.827 8.482 -3.567 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.578 7.159 -3.309 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.232 8.431 -3.719 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.165 9.676 -3.911 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.956 9.525 -4.195 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.891 10.778 -4.391 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.284 10.702 -4.533 1.00 1.00 C ATOM 0 H TRP X 56 82.874 6.237 -1.504 1.00 1.00 H new ATOM 0 HA TRP X 56 85.378 4.927 -1.682 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.560 6.191 -3.562 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.333 7.638 -2.599 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.486 5.411 -2.554 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.533 6.801 -3.298 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.092 9.745 -3.805 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.029 9.462 -4.301 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.374 11.689 -4.652 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.837 11.553 -4.903 1.00 1.00 H new ATOM 952 N ARG X 57 85.339 7.536 0.317 1.00 1.00 N ATOM 953 CA ARG X 57 86.160 8.233 1.347 1.00 1.00 C ATOM 954 C ARG X 57 86.649 7.219 2.382 1.00 1.00 C ATOM 955 O ARG X 57 87.783 7.259 2.817 1.00 1.00 O ATOM 956 CB ARG X 57 85.310 9.302 2.040 1.00 1.00 C ATOM 957 CG ARG X 57 84.351 9.929 1.026 1.00 1.00 C ATOM 958 CD ARG X 57 85.147 10.485 -0.155 1.00 1.00 C ATOM 959 NE ARG X 57 86.173 11.443 0.343 1.00 1.00 N ATOM 960 CZ ARG X 57 86.892 12.129 -0.502 1.00 1.00 C ATOM 961 NH1 ARG X 57 86.710 11.979 -1.786 1.00 1.00 N ATOM 962 NH2 ARG X 57 87.793 12.964 -0.064 1.00 1.00 N ATOM 0 H ARG X 57 84.373 7.855 0.242 1.00 1.00 H new ATOM 0 HA ARG X 57 87.018 8.705 0.869 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.748 8.858 2.862 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.953 10.069 2.471 1.00 1.00 H new ATOM 0 HG2 ARG X 57 83.636 9.184 0.677 1.00 1.00 H new ATOM 0 HG3 ARG X 57 83.776 10.726 1.498 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.627 9.671 -0.698 1.00 1.00 H new ATOM 0 HD3 ARG X 57 84.478 10.984 -0.855 1.00 1.00 H new ATOM 0 HE ARG X 57 86.314 11.563 1.346 1.00 1.00 H new ATOM 0 HH11 ARG X 57 86.006 11.325 -2.128 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.272 12.515 -2.447 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.935 13.081 0.939 1.00 1.00 H new ATOM 0 HH22 ARG X 57 88.355 13.500 -0.725 1.00 1.00 H new ATOM 976 N ARG X 58 85.804 6.308 2.781 1.00 1.00 N ATOM 977 CA ARG X 58 86.224 5.292 3.786 1.00 1.00 C ATOM 978 C ARG X 58 87.253 4.350 3.159 1.00 1.00 C ATOM 979 O ARG X 58 88.193 3.926 3.801 1.00 1.00 O ATOM 980 CB ARG X 58 85.004 4.489 4.239 1.00 1.00 C ATOM 981 CG ARG X 58 84.097 5.374 5.095 1.00 1.00 C ATOM 982 CD ARG X 58 82.836 4.597 5.476 1.00 1.00 C ATOM 983 NE ARG X 58 83.201 3.469 6.379 1.00 1.00 N ATOM 984 CZ ARG X 58 82.292 2.610 6.753 1.00 1.00 C ATOM 985 NH1 ARG X 58 81.061 2.741 6.336 1.00 1.00 N ATOM 986 NH2 ARG X 58 82.612 1.623 7.543 1.00 1.00 N ATOM 0 H ARG X 58 84.841 6.224 2.454 1.00 1.00 H new ATOM 0 HA ARG X 58 86.668 5.793 4.646 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.456 4.120 3.372 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.322 3.616 4.810 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.625 5.693 5.993 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.829 6.276 4.546 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.125 5.258 5.971 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.346 4.216 4.580 1.00 1.00 H new ATOM 0 HE ARG X 58 84.162 3.368 6.705 1.00 1.00 H new ATOM 0 HH11 ARG X 58 80.811 3.514 5.719 1.00 1.00 H new ATOM 0 HH12 ARG X 58 80.350 2.071 6.627 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.573 1.522 7.869 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.901 0.952 7.835 1.00 1.00 H new ATOM 1000 N VAL X 59 87.082 4.019 1.909 1.00 1.00 N ATOM 1001 CA VAL X 59 88.047 3.100 1.242 1.00 1.00 C ATOM 1002 C VAL X 59 89.427 3.757 1.204 1.00 1.00 C ATOM 1003 O VAL X 59 90.431 3.132 1.483 1.00 1.00 O ATOM 1004 CB VAL X 59 87.576 2.811 -0.184 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.659 2.032 -0.932 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.290 1.982 -0.139 1.00 1.00 C ATOM 0 H VAL X 59 86.316 4.345 1.320 1.00 1.00 H new ATOM 0 HA VAL X 59 88.105 2.164 1.798 1.00 1.00 H new ATOM 0 HB VAL X 59 87.384 3.752 -0.700 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.323 1.826 -1.948 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.575 2.622 -0.965 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.852 1.091 -0.416 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.954 1.776 -1.155 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.481 1.041 0.378 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.517 2.537 0.393 1.00 1.00 H new ATOM 1016 N GLY X 60 89.485 5.014 0.858 1.00 1.00 N ATOM 1017 CA GLY X 60 90.801 5.709 0.791 1.00 1.00 C ATOM 1018 C GLY X 60 91.454 5.705 2.175 1.00 1.00 C ATOM 1019 O GLY X 60 92.611 5.366 2.325 1.00 1.00 O ATOM 0 H GLY X 60 88.678 5.590 0.619 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.450 5.212 0.070 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.665 6.734 0.445 1.00 1.00 H new ATOM 1023 N ASP X 61 90.721 6.077 3.189 1.00 1.00 N ATOM 1024 CA ASP X 61 91.303 6.100 4.560 1.00 1.00 C ATOM 1025 C ASP X 61 91.649 4.674 4.991 1.00 1.00 C ATOM 1026 O ASP X 61 92.678 4.428 5.588 1.00 1.00 O ATOM 1027 CB ASP X 61 90.287 6.697 5.536 1.00 1.00 C ATOM 1028 CG ASP X 61 90.866 6.679 6.951 1.00 1.00 C ATOM 1029 OD1 ASP X 61 92.045 6.392 7.084 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.122 6.953 7.878 1.00 1.00 O ATOM 0 H ASP X 61 89.745 6.366 3.127 1.00 1.00 H new ATOM 0 HA ASP X 61 92.207 6.709 4.561 1.00 1.00 H new ATOM 0 HB2 ASP X 61 90.044 7.719 5.244 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.358 6.127 5.505 1.00 1.00 H new ATOM 1035 N CYS X 62 90.797 3.732 4.693 1.00 1.00 N ATOM 1036 CA CYS X 62 91.074 2.324 5.093 1.00 1.00 C ATOM 1037 C CYS X 62 92.308 1.815 4.347 1.00 1.00 C ATOM 1038 O CYS X 62 93.162 1.161 4.912 1.00 1.00 O ATOM 1039 CB CYS X 62 89.869 1.448 4.743 1.00 1.00 C ATOM 1040 SG CYS X 62 88.471 1.893 5.804 1.00 1.00 S ATOM 0 H CYS X 62 89.921 3.877 4.190 1.00 1.00 H new ATOM 0 HA CYS X 62 91.255 2.281 6.167 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.601 1.582 3.695 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.120 0.396 4.876 1.00 1.00 H new ATOM 0 HG CYS X 62 87.928 2.991 5.368 1.00 1.00 H new ATOM 1046 N PHE X 63 92.410 2.108 3.079 1.00 1.00 N ATOM 1047 CA PHE X 63 93.588 1.635 2.297 1.00 1.00 C ATOM 1048 C PHE X 63 94.854 2.314 2.821 1.00 1.00 C ATOM 1049 O PHE X 63 95.898 1.703 2.931 1.00 1.00 O ATOM 1050 CB PHE X 63 93.394 1.984 0.821 1.00 1.00 C ATOM 1051 CG PHE X 63 92.780 0.807 0.102 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.783 0.046 0.728 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.205 0.474 -1.190 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.213 -1.045 0.060 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.635 -0.617 -1.856 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.640 -1.376 -1.231 1.00 1.00 C ATOM 0 H PHE X 63 91.729 2.654 2.551 1.00 1.00 H new ATOM 0 HA PHE X 63 93.685 0.555 2.404 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.751 2.859 0.725 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.352 2.241 0.368 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.455 0.301 1.725 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.973 1.060 -1.673 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.444 -1.631 0.541 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.963 -0.873 -2.853 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.201 -2.218 -1.745 1.00 1.00 H new ATOM 1066 N GLN X 64 94.771 3.577 3.144 1.00 1.00 N ATOM 1067 CA GLN X 64 95.970 4.293 3.663 1.00 1.00 C ATOM 1068 C GLN X 64 96.436 3.633 4.962 1.00 1.00 C ATOM 1069 O GLN X 64 97.617 3.513 5.219 1.00 1.00 O ATOM 1070 CB GLN X 64 95.611 5.755 3.936 1.00 1.00 C ATOM 1071 CG GLN X 64 96.855 6.506 4.415 1.00 1.00 C ATOM 1072 CD GLN X 64 96.554 8.004 4.483 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.463 8.432 4.159 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.481 8.827 4.892 1.00 1.00 N ATOM 0 H GLN X 64 93.925 4.142 3.071 1.00 1.00 H new ATOM 0 HA GLN X 64 96.770 4.246 2.924 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.219 6.219 3.031 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.826 5.813 4.690 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.158 6.141 5.396 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.687 6.322 3.736 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.397 8.469 5.164 1.00 1.00 H new ATOM 0 HE22 GLN X 64 97.290 9.828 4.940 1.00 1.00 H new ATOM 1083 N ASP X 65 95.518 3.204 5.784 1.00 1.00 N ATOM 1084 CA ASP X 65 95.914 2.553 7.064 1.00 1.00 C ATOM 1085 C ASP X 65 96.686 1.267 6.760 1.00 1.00 C ATOM 1086 O ASP X 65 97.700 0.982 7.366 1.00 1.00 O ATOM 1087 CB ASP X 65 94.661 2.218 7.874 1.00 1.00 C ATOM 1088 CG ASP X 65 94.044 3.507 8.420 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.682 4.540 8.304 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.945 3.439 8.944 1.00 1.00 O ATOM 0 H ASP X 65 94.513 3.276 5.625 1.00 1.00 H new ATOM 0 HA ASP X 65 96.546 3.230 7.639 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.939 1.695 7.247 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.915 1.548 8.695 1.00 1.00 H new ATOM 1095 N TYR X 66 96.212 0.489 5.825 1.00 1.00 N ATOM 1096 CA TYR X 66 96.916 -0.779 5.484 1.00 1.00 C ATOM 1097 C TYR X 66 98.261 -0.456 4.832 1.00 1.00 C ATOM 1098 O TYR X 66 99.222 -1.186 4.974 1.00 1.00 O ATOM 1099 CB TYR X 66 96.060 -1.592 4.511 1.00 1.00 C ATOM 1100 CG TYR X 66 94.873 -2.169 5.244 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.069 -3.119 6.254 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.577 -1.755 4.915 1.00 1.00 C ATOM 1103 CE1 TYR X 66 93.969 -3.655 6.934 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.476 -2.291 5.595 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.672 -3.241 6.605 1.00 1.00 C ATOM 1106 OH TYR X 66 91.588 -3.769 7.276 1.00 1.00 O ATOM 0 H TYR X 66 95.368 0.677 5.283 1.00 1.00 H new ATOM 0 HA TYR X 66 97.082 -1.358 6.393 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.721 -0.958 3.691 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.653 -2.393 4.070 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.069 -3.438 6.508 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.426 -1.022 4.136 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.120 -4.388 7.713 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.476 -1.972 5.340 1.00 1.00 H new ATOM 0 HH TYR X 66 90.762 -3.374 6.926 1.00 1.00 H new ATOM 1116 N TYR X 67 98.339 0.633 4.118 1.00 1.00 N ATOM 1117 CA TYR X 67 99.619 0.993 3.447 1.00 1.00 C ATOM 1118 C TYR X 67 100.717 1.152 4.501 1.00 1.00 C ATOM 1119 O TYR X 67 101.754 0.523 4.431 1.00 1.00 O ATOM 1120 CB TYR X 67 99.445 2.310 2.689 1.00 1.00 C ATOM 1121 CG TYR X 67 100.799 2.925 2.432 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.697 2.301 1.557 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.157 4.119 3.070 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.953 2.872 1.318 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.414 4.690 2.832 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.311 4.067 1.956 1.00 1.00 C ATOM 1127 OH TYR X 67 104.549 4.629 1.721 1.00 1.00 O ATOM 0 H TYR X 67 97.572 1.289 3.970 1.00 1.00 H new ATOM 0 HA TYR X 67 99.897 0.206 2.746 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.929 2.133 1.745 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.826 2.996 3.267 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.421 1.379 1.067 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.464 4.599 3.745 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.645 2.392 0.642 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.691 5.611 3.324 1.00 1.00 H new ATOM 0 HH TYR X 67 104.637 5.455 2.240 1.00 1.00 H new ATOM 1137 N ASN X 68 100.496 1.989 5.477 1.00 1.00 N ATOM 1138 CA ASN X 68 101.537 2.202 6.523 1.00 1.00 C ATOM 1139 C ASN X 68 101.676 0.932 7.364 1.00 1.00 C ATOM 1140 O ASN X 68 102.753 0.582 7.804 1.00 1.00 O ATOM 1141 CB ASN X 68 101.125 3.370 7.423 1.00 1.00 C ATOM 1142 CG ASN X 68 102.356 3.907 8.156 1.00 1.00 C ATOM 1143 OD1 ASN X 68 103.459 3.828 7.653 1.00 1.00 O ATOM 1144 ND2 ASN X 68 102.213 4.452 9.332 1.00 1.00 N ATOM 0 H ASN X 68 99.642 2.534 5.596 1.00 1.00 H new ATOM 0 HA ASN X 68 102.491 2.431 6.048 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.670 4.160 6.826 1.00 1.00 H new ATOM 0 HB3 ASN X 68 100.374 3.042 8.142 1.00 1.00 H new ATOM 0 HD21 ASN X 68 103.027 4.812 9.830 1.00 1.00 H new ATOM 0 HD22 ASN X 68 101.287 4.518 9.754 1.00 1.00 H new ATOM 1151 N THR X 69 100.593 0.238 7.588 1.00 1.00 N ATOM 1152 CA THR X 69 100.659 -0.992 8.428 1.00 1.00 C ATOM 1153 C THR X 69 101.519 -2.041 7.721 1.00 1.00 C ATOM 1154 O THR X 69 102.398 -2.637 8.312 1.00 1.00 O ATOM 1155 CB THR X 69 99.247 -1.544 8.638 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.387 -0.494 9.060 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.278 -2.639 9.704 1.00 1.00 C ATOM 0 H THR X 69 99.668 0.469 7.227 1.00 1.00 H new ATOM 0 HA THR X 69 101.100 -0.751 9.395 1.00 1.00 H new ATOM 0 HB THR X 69 98.878 -1.962 7.702 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.895 -0.144 8.288 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.272 -3.031 9.852 1.00 1.00 H new ATOM 0 HG22 THR X 69 99.937 -3.444 9.379 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.647 -2.224 10.642 1.00 1.00 H new ATOM 1165 N PHE X 70 101.274 -2.271 6.460 1.00 1.00 N ATOM 1166 CA PHE X 70 102.052 -3.307 5.727 1.00 1.00 C ATOM 1167 C PHE X 70 102.946 -2.628 4.688 1.00 1.00 C ATOM 1168 O PHE X 70 104.139 -2.853 4.638 1.00 1.00 O ATOM 1169 CB PHE X 70 101.090 -4.266 5.022 1.00 1.00 C ATOM 1170 CG PHE X 70 100.429 -5.159 6.045 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.063 -6.336 6.461 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.182 -4.809 6.576 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.450 -7.163 7.410 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.568 -5.637 7.524 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.203 -6.814 7.940 1.00 1.00 C ATOM 0 H PHE X 70 100.568 -1.786 5.906 1.00 1.00 H new ATOM 0 HA PHE X 70 102.669 -3.865 6.431 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.335 -3.703 4.473 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.630 -4.869 4.292 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.025 -6.606 6.050 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.694 -3.901 6.255 1.00 1.00 H new ATOM 0 HE1 PHE X 70 100.939 -8.070 7.733 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.606 -5.368 7.934 1.00 1.00 H new ATOM 0 HZ PHE X 70 98.730 -7.453 8.671 1.00 1.00 H new ATOM 1185 N GLY X 71 102.377 -1.795 3.860 1.00 1.00 N ATOM 1186 CA GLY X 71 103.188 -1.119 2.809 1.00 1.00 C ATOM 1187 C GLY X 71 102.378 -1.041 1.514 1.00 1.00 C ATOM 1188 O GLY X 71 101.182 -1.251 1.506 1.00 1.00 O ATOM 0 H GLY X 71 101.386 -1.554 3.866 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.467 -0.118 3.137 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.114 -1.668 2.639 1.00 1.00 H new ATOM 1192 N PRO X 72 103.035 -0.743 0.426 1.00 1.00 N ATOM 1193 CA PRO X 72 102.381 -0.624 -0.908 1.00 1.00 C ATOM 1194 C PRO X 72 101.977 -1.990 -1.470 1.00 1.00 C ATOM 1195 O PRO X 72 101.207 -2.082 -2.405 1.00 1.00 O ATOM 1196 CB PRO X 72 103.445 0.032 -1.802 1.00 1.00 C ATOM 1197 CG PRO X 72 104.764 -0.182 -1.125 1.00 1.00 C ATOM 1198 CD PRO X 72 104.473 -0.485 0.348 1.00 1.00 C ATOM 0 HA PRO X 72 101.459 -0.045 -0.851 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.443 -0.413 -2.797 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.243 1.096 -1.929 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.305 -1.007 -1.588 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.393 0.703 -1.219 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.044 -1.348 0.690 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.754 0.355 0.983 1.00 1.00 H new ATOM 1206 N GLU X 73 102.486 -3.050 -0.905 1.00 1.00 N ATOM 1207 CA GLU X 73 102.129 -4.404 -1.409 1.00 1.00 C ATOM 1208 C GLU X 73 100.626 -4.626 -1.240 1.00 1.00 C ATOM 1209 O GLU X 73 99.939 -5.026 -2.158 1.00 1.00 O ATOM 1210 CB GLU X 73 102.895 -5.465 -0.615 1.00 1.00 C ATOM 1211 CG GLU X 73 104.392 -5.340 -0.904 1.00 1.00 C ATOM 1212 CD GLU X 73 105.158 -6.393 -0.102 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.518 -7.143 0.617 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.372 -6.431 -0.218 1.00 1.00 O ATOM 0 H GLU X 73 103.133 -3.036 -0.117 1.00 1.00 H new ATOM 0 HA GLU X 73 102.394 -4.482 -2.464 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.709 -5.341 0.452 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.544 -6.461 -0.886 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.579 -5.472 -1.970 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.742 -4.342 -0.640 1.00 1.00 H new ATOM 1221 N LYS X 74 100.109 -4.367 -0.070 1.00 1.00 N ATOM 1222 CA LYS X 74 98.649 -4.558 0.160 1.00 1.00 C ATOM 1223 C LYS X 74 97.868 -3.542 -0.673 1.00 1.00 C ATOM 1224 O LYS X 74 96.879 -3.866 -1.298 1.00 1.00 O ATOM 1225 CB LYS X 74 98.335 -4.353 1.643 1.00 1.00 C ATOM 1226 CG LYS X 74 99.026 -5.442 2.468 1.00 1.00 C ATOM 1227 CD LYS X 74 98.389 -6.798 2.162 1.00 1.00 C ATOM 1228 CE LYS X 74 98.572 -7.730 3.361 1.00 1.00 C ATOM 1229 NZ LYS X 74 97.873 -9.020 3.098 1.00 1.00 N ATOM 0 H LYS X 74 100.635 -4.031 0.737 1.00 1.00 H new ATOM 0 HA LYS X 74 98.362 -5.568 -0.134 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.674 -3.368 1.964 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.258 -4.388 1.805 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.091 -5.468 2.236 1.00 1.00 H new ATOM 0 HG3 LYS X 74 98.937 -5.219 3.531 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.328 -6.673 1.944 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.847 -7.235 1.275 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.633 -7.908 3.538 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.172 -7.264 4.262 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 97.997 -9.654 3.913 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 96.859 -8.842 2.949 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.274 -9.465 2.248 1.00 1.00 H new ATOM 1243 N VAL X 75 98.305 -2.313 -0.685 1.00 1.00 N ATOM 1244 CA VAL X 75 97.582 -1.273 -1.468 1.00 1.00 C ATOM 1245 C VAL X 75 98.581 -0.233 -1.978 1.00 1.00 C ATOM 1246 O VAL X 75 98.838 0.763 -1.331 1.00 1.00 O ATOM 1247 CB VAL X 75 96.547 -0.589 -0.574 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.520 -1.619 -0.102 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.249 0.022 0.641 1.00 1.00 C ATOM 0 H VAL X 75 99.132 -1.984 -0.186 1.00 1.00 H new ATOM 0 HA VAL X 75 97.079 -1.740 -2.315 1.00 1.00 H new ATOM 0 HB VAL X 75 96.042 0.196 -1.137 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.782 -1.132 0.535 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.020 -2.057 -0.966 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.024 -2.404 0.462 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.513 0.510 1.279 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.753 -0.764 1.204 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.982 0.756 0.307 1.00 1.00 H new ATOM 1259 N PRO X 76 99.141 -0.468 -3.134 1.00 1.00 N ATOM 1260 CA PRO X 76 100.133 0.453 -3.752 1.00 1.00 C ATOM 1261 C PRO X 76 99.465 1.634 -4.461 1.00 1.00 C ATOM 1262 O PRO X 76 98.261 1.791 -4.426 1.00 1.00 O ATOM 1263 CB PRO X 76 100.864 -0.436 -4.758 1.00 1.00 C ATOM 1264 CG PRO X 76 99.904 -1.534 -5.086 1.00 1.00 C ATOM 1265 CD PRO X 76 98.883 -1.643 -3.980 1.00 1.00 C ATOM 0 HA PRO X 76 100.791 0.905 -3.009 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.140 0.125 -5.651 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.786 -0.834 -4.334 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.409 -1.330 -6.036 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.437 -2.478 -5.200 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.867 -1.635 -4.374 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.000 -2.571 -3.420 1.00 1.00 H new ATOM 1273 N VAL X 77 100.238 2.464 -5.108 1.00 1.00 N ATOM 1274 CA VAL X 77 99.650 3.644 -5.803 1.00 1.00 C ATOM 1275 C VAL X 77 98.683 3.165 -6.888 1.00 1.00 C ATOM 1276 O VAL X 77 97.833 3.903 -7.345 1.00 1.00 O ATOM 1277 CB VAL X 77 100.767 4.468 -6.444 1.00 1.00 C ATOM 1278 CG1 VAL X 77 100.161 5.661 -7.185 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.716 4.975 -5.356 1.00 1.00 C ATOM 0 H VAL X 77 101.251 2.376 -5.185 1.00 1.00 H new ATOM 0 HA VAL X 77 99.113 4.260 -5.082 1.00 1.00 H new ATOM 0 HB VAL X 77 101.319 3.845 -7.148 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.958 6.248 -7.642 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.484 5.302 -7.960 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.609 6.284 -6.481 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.512 5.562 -5.813 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.163 5.598 -4.653 1.00 1.00 H new ATOM 0 HG23 VAL X 77 102.149 4.126 -4.827 1.00 1.00 H new ATOM 1289 N THR X 78 98.808 1.935 -7.306 1.00 1.00 N ATOM 1290 CA THR X 78 97.904 1.414 -8.369 1.00 1.00 C ATOM 1291 C THR X 78 96.453 1.504 -7.892 1.00 1.00 C ATOM 1292 O THR X 78 95.546 1.730 -8.668 1.00 1.00 O ATOM 1293 CB THR X 78 98.253 -0.046 -8.669 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.798 -0.868 -7.604 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.768 -0.192 -8.816 1.00 1.00 C ATOM 0 H THR X 78 99.497 1.269 -6.957 1.00 1.00 H new ATOM 0 HA THR X 78 98.028 2.009 -9.274 1.00 1.00 H new ATOM 0 HB THR X 78 97.770 -0.351 -9.597 1.00 1.00 H new ATOM 0 HG1 THR X 78 98.155 -1.774 -7.714 1.00 1.00 H new ATOM 0 HG21 THR X 78 100.014 -1.232 -9.030 1.00 1.00 H new ATOM 0 HG22 THR X 78 100.117 0.439 -9.634 1.00 1.00 H new ATOM 0 HG23 THR X 78 100.255 0.113 -7.890 1.00 1.00 H new ATOM 1303 N ALA X 79 96.227 1.326 -6.619 1.00 1.00 N ATOM 1304 CA ALA X 79 94.835 1.399 -6.093 1.00 1.00 C ATOM 1305 C ALA X 79 94.215 2.745 -6.476 1.00 1.00 C ATOM 1306 O ALA X 79 93.117 2.810 -6.990 1.00 1.00 O ATOM 1307 CB ALA X 79 94.857 1.263 -4.568 1.00 1.00 C ATOM 0 H ALA X 79 96.946 1.133 -5.921 1.00 1.00 H new ATOM 0 HA ALA X 79 94.242 0.591 -6.521 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.839 1.316 -4.183 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.298 0.305 -4.295 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.450 2.071 -4.139 1.00 1.00 H new ATOM 1313 N PHE X 80 94.913 3.820 -6.227 1.00 1.00 N ATOM 1314 CA PHE X 80 94.365 5.161 -6.576 1.00 1.00 C ATOM 1315 C PHE X 80 94.144 5.241 -8.087 1.00 1.00 C ATOM 1316 O PHE X 80 93.153 5.769 -8.552 1.00 1.00 O ATOM 1317 CB PHE X 80 95.357 6.243 -6.148 1.00 1.00 C ATOM 1318 CG PHE X 80 95.372 6.343 -4.642 1.00 1.00 C ATOM 1319 CD1 PHE X 80 94.451 7.168 -3.986 1.00 1.00 C ATOM 1320 CD2 PHE X 80 96.306 5.610 -3.901 1.00 1.00 C ATOM 1321 CE1 PHE X 80 94.465 7.261 -2.589 1.00 1.00 C ATOM 1322 CE2 PHE X 80 96.320 5.701 -2.504 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.399 6.527 -1.848 1.00 1.00 C ATOM 0 H PHE X 80 95.838 3.827 -5.797 1.00 1.00 H new ATOM 0 HA PHE X 80 93.417 5.313 -6.061 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.354 6.004 -6.517 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.077 7.202 -6.584 1.00 1.00 H new ATOM 0 HD1 PHE X 80 93.729 7.733 -4.558 1.00 1.00 H new ATOM 0 HD2 PHE X 80 97.017 4.974 -4.407 1.00 1.00 H new ATOM 0 HE1 PHE X 80 93.755 7.899 -2.083 1.00 1.00 H new ATOM 0 HE2 PHE X 80 97.041 5.135 -1.933 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.409 6.598 -0.770 1.00 1.00 H new ATOM 1333 N SER X 81 95.060 4.722 -8.859 1.00 1.00 N ATOM 1334 CA SER X 81 94.906 4.772 -10.340 1.00 1.00 C ATOM 1335 C SER X 81 93.615 4.055 -10.741 1.00 1.00 C ATOM 1336 O SER X 81 92.840 4.548 -11.537 1.00 1.00 O ATOM 1337 CB SER X 81 96.101 4.084 -11.000 1.00 1.00 C ATOM 1338 OG SER X 81 95.825 3.890 -12.381 1.00 1.00 O ATOM 0 H SER X 81 95.909 4.265 -8.527 1.00 1.00 H new ATOM 0 HA SER X 81 94.861 5.811 -10.668 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.998 4.691 -10.878 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.296 3.126 -10.518 1.00 1.00 H new ATOM 0 HG SER X 81 96.589 3.450 -12.809 1.00 1.00 H new ATOM 1344 N TYR X 82 93.375 2.894 -10.193 1.00 1.00 N ATOM 1345 CA TYR X 82 92.134 2.148 -10.543 1.00 1.00 C ATOM 1346 C TYR X 82 90.913 2.943 -10.078 1.00 1.00 C ATOM 1347 O TYR X 82 89.937 3.073 -10.791 1.00 1.00 O ATOM 1348 CB TYR X 82 92.150 0.780 -9.855 1.00 1.00 C ATOM 1349 CG TYR X 82 93.101 -0.143 -10.579 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.834 -0.533 -11.896 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.250 -0.610 -9.930 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.717 -1.390 -12.565 1.00 1.00 C ATOM 1353 CE2 TYR X 82 95.133 -1.466 -10.597 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.866 -1.857 -11.915 1.00 1.00 C ATOM 1355 OH TYR X 82 95.736 -2.701 -12.573 1.00 1.00 O ATOM 0 H TYR X 82 93.985 2.431 -9.519 1.00 1.00 H new ATOM 0 HA TYR X 82 92.085 2.009 -11.623 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.456 0.889 -8.814 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.147 0.353 -9.850 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.947 -0.173 -12.397 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.455 -0.309 -8.913 1.00 1.00 H new ATOM 0 HE1 TYR X 82 93.512 -1.691 -13.582 1.00 1.00 H new ATOM 0 HE2 TYR X 82 96.020 -1.825 -10.096 1.00 1.00 H new ATOM 0 HH TYR X 82 95.704 -3.590 -12.161 1.00 1.00 H new ATOM 1365 N TRP X 83 90.957 3.478 -8.890 1.00 1.00 N ATOM 1366 CA TRP X 83 89.796 4.264 -8.383 1.00 1.00 C ATOM 1367 C TRP X 83 89.608 5.507 -9.252 1.00 1.00 C ATOM 1368 O TRP X 83 88.500 5.934 -9.513 1.00 1.00 O ATOM 1369 CB TRP X 83 90.060 4.687 -6.937 1.00 1.00 C ATOM 1370 CG TRP X 83 88.762 4.769 -6.197 1.00 1.00 C ATOM 1371 CD1 TRP X 83 87.996 5.879 -6.096 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.070 3.723 -5.458 1.00 1.00 C ATOM 1373 NE1 TRP X 83 86.875 5.579 -5.342 1.00 1.00 N ATOM 1374 CE2 TRP X 83 86.875 4.263 -4.926 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.358 2.370 -5.200 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 85.998 3.490 -4.166 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.477 1.588 -4.435 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.299 2.148 -3.919 1.00 1.00 C ATOM 0 H TRP X 83 91.746 3.405 -8.248 1.00 1.00 H new ATOM 0 HA TRP X 83 88.895 3.652 -8.423 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.723 3.970 -6.452 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.565 5.653 -6.916 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.222 6.841 -6.532 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.138 6.249 -5.121 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.263 1.930 -5.593 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.092 3.926 -3.771 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.708 0.551 -4.243 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.625 1.542 -3.331 1.00 1.00 H new ATOM 1389 N ASN X 84 90.682 6.092 -9.706 1.00 1.00 N ATOM 1390 CA ASN X 84 90.566 7.309 -10.558 1.00 1.00 C ATOM 1391 C ASN X 84 89.671 6.999 -11.759 1.00 1.00 C ATOM 1392 O ASN X 84 88.824 7.785 -12.134 1.00 1.00 O ATOM 1393 CB ASN X 84 91.954 7.725 -11.047 1.00 1.00 C ATOM 1394 CG ASN X 84 92.727 8.377 -9.898 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.149 8.751 -8.898 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.018 8.527 -10.001 1.00 1.00 N ATOM 0 H ASN X 84 91.636 5.780 -9.524 1.00 1.00 H new ATOM 0 HA ASN X 84 90.130 8.122 -9.978 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.497 6.855 -11.417 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.864 8.422 -11.880 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.543 8.959 -9.241 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.503 8.212 -10.842 1.00 1.00 H new ATOM 1403 N LEU X 85 89.851 5.856 -12.364 1.00 1.00 N ATOM 1404 CA LEU X 85 88.995 5.480 -13.524 1.00 1.00 C ATOM 1405 C LEU X 85 87.549 5.301 -13.057 1.00 1.00 C ATOM 1406 O LEU X 85 86.618 5.710 -13.721 1.00 1.00 O ATOM 1407 CB LEU X 85 89.502 4.169 -14.128 1.00 1.00 C ATOM 1408 CG LEU X 85 90.874 4.396 -14.763 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.444 3.059 -15.242 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.729 5.343 -15.956 1.00 1.00 C ATOM 0 H LEU X 85 90.555 5.166 -12.104 1.00 1.00 H new ATOM 0 HA LEU X 85 89.038 6.268 -14.276 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.569 3.403 -13.356 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.799 3.806 -14.877 1.00 1.00 H new ATOM 0 HG LEU X 85 91.548 4.834 -14.027 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.422 3.222 -15.695 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.545 2.382 -14.394 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.772 2.620 -15.979 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.706 5.507 -16.411 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.056 4.902 -16.691 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.322 6.296 -15.617 1.00 1.00 H new ATOM 1422 N ILE X 86 87.355 4.697 -11.917 1.00 1.00 N ATOM 1423 CA ILE X 86 85.969 4.509 -11.401 1.00 1.00 C ATOM 1424 C ILE X 86 85.345 5.876 -11.115 1.00 1.00 C ATOM 1425 O ILE X 86 84.196 6.122 -11.421 1.00 1.00 O ATOM 1426 CB ILE X 86 86.012 3.690 -10.109 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.371 2.239 -10.438 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.642 3.735 -9.431 1.00 1.00 C ATOM 1429 CD1 ILE X 86 85.095 1.458 -10.760 1.00 1.00 C ATOM 0 H ILE X 86 88.095 4.326 -11.321 1.00 1.00 H new ATOM 0 HA ILE X 86 85.372 3.983 -12.145 1.00 1.00 H new ATOM 0 HB ILE X 86 86.763 4.108 -9.438 1.00 1.00 H new ATOM 0 HG12 ILE X 86 87.054 2.206 -11.287 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.888 1.781 -9.595 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.672 3.152 -8.511 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.385 4.768 -9.198 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.891 3.317 -10.101 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.350 0.425 -10.994 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.428 1.480 -9.899 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.597 1.912 -11.617 1.00 1.00 H new ATOM 1441 N LYS X 87 86.096 6.770 -10.532 1.00 1.00 N ATOM 1442 CA LYS X 87 85.545 8.119 -10.219 1.00 1.00 C ATOM 1443 C LYS X 87 84.980 8.746 -11.495 1.00 1.00 C ATOM 1444 O LYS X 87 83.932 9.361 -11.485 1.00 1.00 O ATOM 1445 CB LYS X 87 86.658 9.007 -9.661 1.00 1.00 C ATOM 1446 CG LYS X 87 86.071 10.353 -9.232 1.00 1.00 C ATOM 1447 CD LYS X 87 87.177 11.228 -8.641 1.00 1.00 C ATOM 1448 CE LYS X 87 86.585 12.564 -8.190 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.647 13.385 -7.540 1.00 1.00 N ATOM 0 H LYS X 87 87.068 6.624 -10.259 1.00 1.00 H new ATOM 0 HA LYS X 87 84.751 8.026 -9.478 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.135 8.519 -8.811 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.429 9.159 -10.416 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.616 10.852 -10.087 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.282 10.199 -8.496 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.644 10.721 -7.796 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.958 11.396 -9.383 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.171 13.098 -9.045 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.765 12.393 -7.493 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.244 14.294 -7.233 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.022 12.876 -6.714 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.416 13.558 -8.219 1.00 1.00 H new ATOM 1463 N GLU X 88 85.666 8.597 -12.596 1.00 1.00 N ATOM 1464 CA GLU X 88 85.165 9.183 -13.871 1.00 1.00 C ATOM 1465 C GLU X 88 83.938 8.400 -14.341 1.00 1.00 C ATOM 1466 O GLU X 88 82.986 8.963 -14.846 1.00 1.00 O ATOM 1467 CB GLU X 88 86.261 9.106 -14.936 1.00 1.00 C ATOM 1468 CG GLU X 88 87.411 10.040 -14.557 1.00 1.00 C ATOM 1469 CD GLU X 88 88.538 9.906 -15.583 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.383 9.123 -16.505 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.538 10.588 -15.428 1.00 1.00 O ATOM 0 H GLU X 88 86.551 8.095 -12.667 1.00 1.00 H new ATOM 0 HA GLU X 88 84.892 10.226 -13.710 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.625 8.082 -15.025 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.857 9.386 -15.909 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.059 11.071 -14.521 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.780 9.794 -13.561 1.00 1.00 H new ATOM 1478 N LEU X 89 83.952 7.106 -14.179 1.00 1.00 N ATOM 1479 CA LEU X 89 82.795 6.286 -14.634 1.00 1.00 C ATOM 1480 C LEU X 89 81.549 6.682 -13.840 1.00 1.00 C ATOM 1481 O LEU X 89 80.501 6.940 -14.399 1.00 1.00 O ATOM 1482 CB LEU X 89 83.097 4.803 -14.402 1.00 1.00 C ATOM 1483 CG LEU X 89 81.880 3.965 -14.797 1.00 1.00 C ATOM 1484 CD1 LEU X 89 81.510 4.253 -16.253 1.00 1.00 C ATOM 1485 CD2 LEU X 89 82.211 2.480 -14.640 1.00 1.00 C ATOM 0 H LEU X 89 84.715 6.581 -13.751 1.00 1.00 H new ATOM 0 HA LEU X 89 82.621 6.459 -15.696 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.965 4.502 -14.989 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.345 4.631 -13.355 1.00 1.00 H new ATOM 0 HG LEU X 89 81.039 4.221 -14.152 1.00 1.00 H new ATOM 0 HD11 LEU X 89 80.643 3.655 -16.533 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.273 5.311 -16.366 1.00 1.00 H new ATOM 0 HD13 LEU X 89 82.350 3.998 -16.899 1.00 1.00 H new ATOM 0 HD21 LEU X 89 81.344 1.882 -14.921 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.052 2.225 -15.284 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.473 2.273 -13.602 1.00 1.00 H new ATOM 1497 N ILE X 90 81.654 6.735 -12.541 1.00 1.00 N ATOM 1498 CA ILE X 90 80.472 7.099 -11.712 1.00 1.00 C ATOM 1499 C ILE X 90 80.146 8.579 -11.913 1.00 1.00 C ATOM 1500 O ILE X 90 78.998 8.965 -12.016 1.00 1.00 O ATOM 1501 CB ILE X 90 80.785 6.840 -10.237 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.924 7.759 -9.789 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.208 5.381 -10.052 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.437 7.307 -8.421 1.00 1.00 C ATOM 0 H ILE X 90 82.508 6.542 -12.018 1.00 1.00 H new ATOM 0 HA ILE X 90 79.616 6.495 -12.013 1.00 1.00 H new ATOM 0 HB ILE X 90 79.897 7.040 -9.638 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.733 7.735 -10.519 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.574 8.790 -9.735 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.431 5.197 -9.001 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.399 4.724 -10.372 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.096 5.181 -10.652 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.248 7.962 -8.102 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.626 7.354 -7.694 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.803 6.283 -8.490 1.00 1.00 H new ATOM 1516 N ASP X 91 81.148 9.415 -11.968 1.00 1.00 N ATOM 1517 CA ASP X 91 80.894 10.871 -12.156 1.00 1.00 C ATOM 1518 C ASP X 91 80.151 11.096 -13.474 1.00 1.00 C ATOM 1519 O ASP X 91 79.173 11.814 -13.533 1.00 1.00 O ATOM 1520 CB ASP X 91 82.227 11.622 -12.187 1.00 1.00 C ATOM 1521 CG ASP X 91 82.707 11.871 -10.756 1.00 1.00 C ATOM 1522 OD1 ASP X 91 81.964 11.562 -9.840 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.811 12.369 -10.601 1.00 1.00 O ATOM 0 H ASP X 91 82.130 9.152 -11.891 1.00 1.00 H new ATOM 0 HA ASP X 91 80.287 11.242 -11.330 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.970 11.043 -12.735 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.110 12.570 -12.713 1.00 1.00 H new ATOM 1528 N LYS X 92 80.606 10.485 -14.534 1.00 1.00 N ATOM 1529 CA LYS X 92 79.923 10.659 -15.846 1.00 1.00 C ATOM 1530 C LYS X 92 78.504 10.090 -15.766 1.00 1.00 C ATOM 1531 O LYS X 92 77.562 10.671 -16.268 1.00 1.00 O ATOM 1532 CB LYS X 92 80.709 9.919 -16.932 1.00 1.00 C ATOM 1533 CG LYS X 92 82.004 10.676 -17.232 1.00 1.00 C ATOM 1534 CD LYS X 92 82.787 9.938 -18.318 1.00 1.00 C ATOM 1535 CE LYS X 92 84.113 10.657 -18.570 1.00 1.00 C ATOM 1536 NZ LYS X 92 84.889 9.921 -19.608 1.00 1.00 N ATOM 0 H LYS X 92 81.422 9.873 -14.547 1.00 1.00 H new ATOM 0 HA LYS X 92 79.874 11.720 -16.091 1.00 1.00 H new ATOM 0 HB2 LYS X 92 80.936 8.905 -16.604 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.107 9.834 -17.837 1.00 1.00 H new ATOM 0 HG2 LYS X 92 81.777 11.691 -17.559 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.607 10.760 -16.328 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.972 8.908 -18.012 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.203 9.897 -19.238 1.00 1.00 H new ATOM 0 HE2 LYS X 92 83.928 11.680 -18.897 1.00 1.00 H new ATOM 0 HE3 LYS X 92 84.688 10.717 -17.646 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 85.791 10.410 -19.779 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.077 8.953 -19.279 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 84.341 9.886 -20.491 1.00 1.00 H new ATOM 1550 N LYS X 93 78.344 8.956 -15.140 1.00 1.00 N ATOM 1551 CA LYS X 93 76.988 8.349 -15.028 1.00 1.00 C ATOM 1552 C LYS X 93 76.192 9.076 -13.940 1.00 1.00 C ATOM 1553 O LYS X 93 76.705 9.382 -12.883 1.00 1.00 O ATOM 1554 CB LYS X 93 77.117 6.869 -14.663 1.00 1.00 C ATOM 1555 CG LYS X 93 75.732 6.220 -14.662 1.00 1.00 C ATOM 1556 CD LYS X 93 75.865 4.736 -14.319 1.00 1.00 C ATOM 1557 CE LYS X 93 74.478 4.088 -14.305 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.608 2.643 -13.969 1.00 1.00 N ATOM 0 H LYS X 93 79.095 8.423 -14.701 1.00 1.00 H new ATOM 0 HA LYS X 93 76.470 8.442 -15.982 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.767 6.363 -15.377 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.580 6.765 -13.682 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.087 6.716 -13.936 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.263 6.338 -15.639 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.503 4.239 -15.050 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.343 4.618 -13.346 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.840 4.586 -13.575 1.00 1.00 H new ATOM 0 HE3 LYS X 93 74.001 4.205 -15.278 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 73.666 2.203 -13.959 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 75.203 2.173 -14.681 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 75.046 2.543 -13.031 1.00 1.00 H new ATOM 1572 N GLU X 94 74.942 9.354 -14.193 1.00 1.00 N ATOM 1573 CA GLU X 94 74.115 10.060 -13.174 1.00 1.00 C ATOM 1574 C GLU X 94 73.743 9.088 -12.053 1.00 1.00 C ATOM 1575 O GLU X 94 73.226 8.015 -12.294 1.00 1.00 O ATOM 1576 CB GLU X 94 72.840 10.590 -13.834 1.00 1.00 C ATOM 1577 CG GLU X 94 73.199 11.693 -14.832 1.00 1.00 C ATOM 1578 CD GLU X 94 73.734 12.911 -14.076 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.461 13.015 -12.892 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.406 13.720 -14.695 1.00 1.00 O ATOM 0 H GLU X 94 74.458 9.123 -15.061 1.00 1.00 H new ATOM 0 HA GLU X 94 74.683 10.892 -12.757 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.319 9.780 -14.344 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.160 10.979 -13.076 1.00 1.00 H new ATOM 0 HG2 GLU X 94 73.948 11.331 -15.536 1.00 1.00 H new ATOM 0 HG3 GLU X 94 72.321 11.970 -15.415 1.00 1.00 H new ATOM 1587 N VAL X 95 74.001 9.455 -10.827 1.00 1.00 N ATOM 1588 CA VAL X 95 73.661 8.552 -9.692 1.00 1.00 C ATOM 1589 C VAL X 95 72.912 9.342 -8.616 1.00 1.00 C ATOM 1590 O VAL X 95 72.974 10.554 -8.565 1.00 1.00 O ATOM 1591 CB VAL X 95 74.948 7.978 -9.097 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.824 9.118 -8.576 1.00 1.00 C ATOM 1593 CG2 VAL X 95 74.598 7.036 -7.943 1.00 1.00 C ATOM 0 H VAL X 95 74.432 10.341 -10.563 1.00 1.00 H new ATOM 0 HA VAL X 95 73.030 7.739 -10.051 1.00 1.00 H new ATOM 0 HB VAL X 95 75.490 7.428 -9.866 1.00 1.00 H new ATOM 0 HG11 VAL X 95 76.741 8.708 -8.152 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.073 9.790 -9.397 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.284 9.670 -7.807 1.00 1.00 H new ATOM 0 HG21 VAL X 95 75.514 6.626 -7.518 1.00 1.00 H new ATOM 0 HG22 VAL X 95 74.056 7.588 -7.175 1.00 1.00 H new ATOM 0 HG23 VAL X 95 73.974 6.223 -8.314 1.00 1.00 H new ATOM 1603 N ASN X 96 72.203 8.664 -7.755 1.00 1.00 N ATOM 1604 CA ASN X 96 71.455 9.375 -6.680 1.00 1.00 C ATOM 1605 C ASN X 96 71.952 8.904 -5.311 1.00 1.00 C ATOM 1606 O ASN X 96 71.352 8.057 -4.681 1.00 1.00 O ATOM 1607 CB ASN X 96 69.961 9.073 -6.810 1.00 1.00 C ATOM 1608 CG ASN X 96 69.768 7.611 -7.218 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.576 7.313 -8.380 1.00 1.00 O ATOM 1610 ND2 ASN X 96 69.812 6.680 -6.304 1.00 1.00 N ATOM 0 H ASN X 96 72.110 7.648 -7.750 1.00 1.00 H new ATOM 0 HA ASN X 96 71.619 10.448 -6.776 1.00 1.00 H new ATOM 0 HB2 ASN X 96 69.457 9.267 -5.863 1.00 1.00 H new ATOM 0 HB3 ASN X 96 69.510 9.731 -7.552 1.00 1.00 H new ATOM 0 HD21 ASN X 96 69.685 5.702 -6.565 1.00 1.00 H new ATOM 0 HD22 ASN X 96 69.973 6.930 -5.328 1.00 1.00 H new ATOM 1617 N PRO X 97 73.046 9.454 -4.860 1.00 1.00 N ATOM 1618 CA PRO X 97 73.654 9.089 -3.550 1.00 1.00 C ATOM 1619 C PRO X 97 72.984 9.813 -2.377 1.00 1.00 C ATOM 1620 O PRO X 97 73.589 10.630 -1.712 1.00 1.00 O ATOM 1621 CB PRO X 97 75.110 9.534 -3.690 1.00 1.00 C ATOM 1622 CG PRO X 97 75.088 10.652 -4.682 1.00 1.00 C ATOM 1623 CD PRO X 97 73.827 10.488 -5.557 1.00 1.00 C ATOM 0 HA PRO X 97 73.541 8.027 -3.333 1.00 1.00 H new ATOM 0 HB2 PRO X 97 75.514 9.865 -2.733 1.00 1.00 H new ATOM 0 HB3 PRO X 97 75.740 8.714 -4.035 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.075 11.615 -4.171 1.00 1.00 H new ATOM 0 HG3 PRO X 97 75.986 10.631 -5.300 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.272 11.422 -5.637 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.082 10.181 -6.571 1.00 1.00 H new ATOM 1631 N GLN X 98 71.739 9.520 -2.118 1.00 1.00 N ATOM 1632 CA GLN X 98 71.033 10.192 -0.992 1.00 1.00 C ATOM 1633 C GLN X 98 71.138 11.710 -1.159 1.00 1.00 C ATOM 1634 O GLN X 98 70.224 12.357 -1.628 1.00 1.00 O ATOM 1635 CB GLN X 98 71.677 9.778 0.333 1.00 1.00 C ATOM 1636 CG GLN X 98 71.495 8.273 0.544 1.00 1.00 C ATOM 1637 CD GLN X 98 72.040 7.878 1.917 1.00 1.00 C ATOM 1638 OE1 GLN X 98 72.416 8.727 2.702 1.00 1.00 O ATOM 1639 NE2 GLN X 98 72.097 6.616 2.244 1.00 1.00 N ATOM 0 H GLN X 98 71.180 8.844 -2.638 1.00 1.00 H new ATOM 0 HA GLN X 98 69.983 9.898 -0.993 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.738 10.029 0.328 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.223 10.329 1.157 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.440 8.010 0.471 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.016 7.720 -0.238 1.00 1.00 H new ATOM 0 HE21 GLN X 98 71.782 5.904 1.585 1.00 1.00 H new ATOM 0 HE22 GLN X 98 72.457 6.342 3.158 1.00 1.00 H new ATOM 1648 N VAL X 99 72.247 12.282 -0.777 1.00 1.00 N ATOM 1649 CA VAL X 99 72.412 13.757 -0.915 1.00 1.00 C ATOM 1650 C VAL X 99 73.114 14.073 -2.238 1.00 1.00 C ATOM 1651 O VAL X 99 74.141 13.506 -2.556 1.00 1.00 O ATOM 1652 CB VAL X 99 73.252 14.288 0.247 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.614 15.752 -0.009 1.00 1.00 C ATOM 1654 CG2 VAL X 99 72.448 14.183 1.546 1.00 1.00 C ATOM 0 H VAL X 99 73.046 11.792 -0.375 1.00 1.00 H new ATOM 0 HA VAL X 99 71.432 14.233 -0.902 1.00 1.00 H new ATOM 0 HB VAL X 99 74.165 13.698 0.333 1.00 1.00 H new ATOM 0 HG11 VAL X 99 74.213 16.129 0.820 1.00 1.00 H new ATOM 0 HG12 VAL X 99 74.186 15.829 -0.934 1.00 1.00 H new ATOM 0 HG13 VAL X 99 72.702 16.342 -0.096 1.00 1.00 H new ATOM 0 HG21 VAL X 99 73.046 14.561 2.375 1.00 1.00 H new ATOM 0 HG22 VAL X 99 71.535 14.773 1.458 1.00 1.00 H new ATOM 0 HG23 VAL X 99 72.190 13.140 1.731 1.00 1.00 H new ATOM 1664 N MET X 100 72.570 14.971 -3.011 1.00 1.00 N ATOM 1665 CA MET X 100 73.209 15.320 -4.310 1.00 1.00 C ATOM 1666 C MET X 100 74.687 15.640 -4.082 1.00 1.00 C ATOM 1667 O MET X 100 74.965 16.592 -3.371 1.00 1.00 O ATOM 1668 CB MET X 100 72.510 16.543 -4.908 1.00 1.00 C ATOM 1669 CG MET X 100 71.092 16.160 -5.339 1.00 1.00 C ATOM 1670 SD MET X 100 70.300 17.580 -6.135 1.00 1.00 S ATOM 1671 CE MET X 100 70.133 18.606 -4.653 1.00 1.00 C ATOM 1672 OXT MET X 100 75.518 14.928 -4.623 1.00 1.00 O ATOM 0 H MET X 100 71.711 15.478 -2.799 1.00 1.00 H new ATOM 0 HA MET X 100 73.121 14.478 -4.996 1.00 1.00 H new ATOM 0 HB2 MET X 100 72.474 17.349 -4.175 1.00 1.00 H new ATOM 0 HB3 MET X 100 73.074 16.915 -5.763 1.00 1.00 H new ATOM 0 HG2 MET X 100 71.125 15.315 -6.027 1.00 1.00 H new ATOM 0 HG3 MET X 100 70.510 15.843 -4.473 1.00 1.00 H new ATOM 0 HE1 MET X 100 69.287 19.283 -4.773 1.00 1.00 H new ATOM 0 HE2 MET X 100 69.967 17.968 -3.785 1.00 1.00 H new ATOM 0 HE3 MET X 100 71.044 19.186 -4.507 1.00 1.00 H new TER 1682 MET X 100