USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 153:sc= -0.33 (180deg=-1.28!) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= -1.3 (180deg=-1.44) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.04 K(o=-0.04,f=-1.2) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 25 ASN : amide:sc= -8.91! C(o=-8.9!,f=-19!) USER MOD Single : A 26 SER OG : rot -4:sc= 0.311 USER MOD Single : A 31 MET CE :methyl -171:sc= -2.52 (180deg=-2.84) USER MOD Single : A 36 ASN :FLIP amide:sc= -5.62! C(o=-12!,f=-5.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 42 CYS SG : rot 180:sc= -0.443 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0398 (180deg=-0.29) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -1.37 (180deg=-1.37) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.525 K(o=0.53,f=-0.75) USER MOD Single : A 59 THR OG1 : rot 31:sc= -0.788 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0467 (180deg=-0.268) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.727 F(o=-2.3!,f=-0.73) USER MOD Single : A 78 LYS NZ :NH3+ -128:sc= -1.3 (180deg=-2.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -19.479 -5.505 0.132 1.00 0.00 N ATOM 2 CA GLY A -3 -20.044 -5.359 1.501 1.00 0.00 C ATOM 3 C GLY A -3 -21.382 -4.646 1.506 1.00 0.00 C ATOM 4 O GLY A -3 -21.613 -3.755 2.323 1.00 0.00 O ATOM 0 H1 GLY A -3 -18.565 -5.998 0.184 1.00 0.00 H new ATOM 0 H2 GLY A -3 -20.136 -6.055 -0.458 1.00 0.00 H new ATOM 0 H3 GLY A -3 -19.341 -4.564 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -20.161 -6.346 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -19.340 -4.807 2.124 1.00 0.00 H new ATOM 10 N SER A -2 -22.263 -5.040 0.589 1.00 0.00 N ATOM 11 CA SER A -2 -23.595 -4.441 0.477 1.00 0.00 C ATOM 12 C SER A -2 -23.521 -2.997 -0.023 1.00 0.00 C ATOM 13 O SER A -2 -24.133 -2.653 -1.033 1.00 0.00 O ATOM 14 CB SER A -2 -24.323 -4.491 1.822 1.00 0.00 C ATOM 15 OG SER A -2 -25.628 -3.946 1.715 1.00 0.00 O ATOM 0 H SER A -2 -22.078 -5.776 -0.092 1.00 0.00 H new ATOM 0 HA SER A -2 -24.155 -5.025 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A -2 -24.383 -5.523 2.169 1.00 0.00 H new ATOM 0 HB3 SER A -2 -23.754 -3.937 2.568 1.00 0.00 H new ATOM 0 HG SER A -2 -26.074 -3.991 2.587 1.00 0.00 H new ATOM 21 N HIS A -1 -22.773 -2.156 0.686 1.00 0.00 N ATOM 22 CA HIS A -1 -22.629 -0.757 0.303 1.00 0.00 C ATOM 23 C HIS A -1 -21.974 -0.631 -1.068 1.00 0.00 C ATOM 24 O HIS A -1 -20.962 -1.275 -1.346 1.00 0.00 O ATOM 25 CB HIS A -1 -21.808 0.004 1.347 1.00 0.00 C ATOM 26 CG HIS A -1 -22.481 0.119 2.681 1.00 0.00 C ATOM 27 ND1 HIS A -1 -22.801 -0.971 3.465 1.00 0.00 N ATOM 28 CD2 HIS A -1 -22.896 1.208 3.370 1.00 0.00 C ATOM 29 CE1 HIS A -1 -23.385 -0.557 4.575 1.00 0.00 C ATOM 30 NE2 HIS A -1 -23.454 0.761 4.542 1.00 0.00 N ATOM 0 H HIS A -1 -22.259 -2.419 1.527 1.00 0.00 H new ATOM 0 HA HIS A -1 -23.626 -0.320 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -20.849 -0.497 1.477 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -21.596 1.005 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -22.805 2.237 3.056 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -23.745 -1.189 5.374 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -23.857 1.352 5.270 1.00 0.00 H new ATOM 39 N MET A 1 -22.558 0.203 -1.922 1.00 0.00 N ATOM 40 CA MET A 1 -22.034 0.415 -3.267 1.00 0.00 C ATOM 41 C MET A 1 -20.640 1.035 -3.221 1.00 0.00 C ATOM 42 O MET A 1 -20.339 1.850 -2.349 1.00 0.00 O ATOM 43 CB MET A 1 -22.992 1.291 -4.084 1.00 0.00 C ATOM 44 CG MET A 1 -23.303 2.644 -3.455 1.00 0.00 C ATOM 45 SD MET A 1 -21.954 3.832 -3.622 1.00 0.00 S ATOM 46 CE MET A 1 -21.811 3.932 -5.405 1.00 0.00 C ATOM 0 H MET A 1 -23.395 0.744 -1.706 1.00 0.00 H new ATOM 0 HA MET A 1 -21.952 -0.556 -3.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.562 1.454 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.926 0.748 -4.229 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.200 3.055 -3.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.526 2.503 -2.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.408 4.906 -5.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.143 3.148 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.795 3.804 -5.857 1.00 0.00 H new ATOM 56 N LYS A 2 -19.791 0.636 -4.164 1.00 0.00 N ATOM 57 CA LYS A 2 -18.427 1.147 -4.234 1.00 0.00 C ATOM 58 C LYS A 2 -17.702 0.578 -5.461 1.00 0.00 C ATOM 59 O LYS A 2 -17.972 1.000 -6.583 1.00 0.00 O ATOM 60 CB LYS A 2 -17.671 0.831 -2.937 1.00 0.00 C ATOM 61 CG LYS A 2 -16.253 1.382 -2.904 1.00 0.00 C ATOM 62 CD LYS A 2 -15.570 1.077 -1.580 1.00 0.00 C ATOM 63 CE LYS A 2 -14.158 1.640 -1.537 1.00 0.00 C ATOM 64 NZ LYS A 2 -13.498 1.385 -0.227 1.00 0.00 N ATOM 0 H LYS A 2 -20.025 -0.041 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.462 2.231 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.229 1.238 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.634 -0.250 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.675 0.951 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.276 2.460 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.155 1.498 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.537 -0.002 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.565 1.194 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.189 2.713 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.637 1.964 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.150 1.634 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.246 0.379 -0.155 1.00 0.00 H new ATOM 78 N MET A 3 -16.788 -0.377 -5.242 1.00 0.00 N ATOM 79 CA MET A 3 -16.025 -1.006 -6.325 1.00 0.00 C ATOM 80 C MET A 3 -15.406 0.025 -7.267 1.00 0.00 C ATOM 81 O MET A 3 -16.086 0.913 -7.780 1.00 0.00 O ATOM 82 CB MET A 3 -16.900 -1.989 -7.116 1.00 0.00 C ATOM 83 CG MET A 3 -18.109 -1.354 -7.784 1.00 0.00 C ATOM 84 SD MET A 3 -19.016 -2.515 -8.823 1.00 0.00 S ATOM 85 CE MET A 3 -20.331 -1.465 -9.436 1.00 0.00 C ATOM 0 H MET A 3 -16.559 -0.733 -4.314 1.00 0.00 H new ATOM 0 HA MET A 3 -15.210 -1.558 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.288 -2.468 -7.880 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.243 -2.775 -6.443 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.777 -0.959 -7.018 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.783 -0.508 -8.390 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.979 -2.042 -10.096 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.913 -1.084 -8.597 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.902 -0.629 -9.989 1.00 0.00 H new ATOM 95 N GLY A 4 -14.104 -0.107 -7.496 1.00 0.00 N ATOM 96 CA GLY A 4 -13.408 0.810 -8.378 1.00 0.00 C ATOM 97 C GLY A 4 -11.917 0.539 -8.430 1.00 0.00 C ATOM 98 O GLY A 4 -11.492 -0.612 -8.517 1.00 0.00 O ATOM 0 H GLY A 4 -13.518 -0.834 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.825 0.731 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.578 1.833 -8.042 1.00 0.00 H new ATOM 102 N VAL A 5 -11.122 1.603 -8.373 1.00 0.00 N ATOM 103 CA VAL A 5 -9.670 1.473 -8.412 1.00 0.00 C ATOM 104 C VAL A 5 -9.139 0.893 -7.112 1.00 0.00 C ATOM 105 O VAL A 5 -7.959 0.622 -7.004 1.00 0.00 O ATOM 106 CB VAL A 5 -8.965 2.816 -8.675 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.797 3.602 -7.385 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.617 2.639 -9.346 1.00 0.00 C ATOM 0 H VAL A 5 -11.458 2.563 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.451 0.798 -9.240 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.606 3.374 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.296 4.547 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.776 3.800 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.198 3.024 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.161 3.615 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.969 2.038 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.751 2.136 -10.304 1.00 0.00 H new ATOM 118 N LYS A 6 -9.995 0.715 -6.109 1.00 0.00 N ATOM 119 CA LYS A 6 -9.523 0.175 -4.842 1.00 0.00 C ATOM 120 C LYS A 6 -8.628 -1.020 -5.127 1.00 0.00 C ATOM 121 O LYS A 6 -7.494 -1.087 -4.662 1.00 0.00 O ATOM 122 CB LYS A 6 -10.703 -0.240 -3.961 1.00 0.00 C ATOM 123 CG LYS A 6 -10.290 -0.918 -2.664 1.00 0.00 C ATOM 124 CD LYS A 6 -11.500 -1.304 -1.831 1.00 0.00 C ATOM 125 CE LYS A 6 -11.091 -1.992 -0.538 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.272 -2.377 0.283 1.00 0.00 N ATOM 0 H LYS A 6 -10.991 0.930 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.959 0.939 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.297 0.643 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.346 -0.916 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.702 -1.808 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.649 -0.249 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.084 -0.413 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.144 -1.967 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.504 -2.881 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.448 -1.327 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.951 -2.843 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.818 -1.526 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.873 -3.031 -0.258 1.00 0.00 H new ATOM 140 N GLU A 7 -9.132 -1.932 -5.940 1.00 0.00 N ATOM 141 CA GLU A 7 -8.367 -3.098 -6.344 1.00 0.00 C ATOM 142 C GLU A 7 -7.349 -2.742 -7.435 1.00 0.00 C ATOM 143 O GLU A 7 -6.329 -3.411 -7.572 1.00 0.00 O ATOM 144 CB GLU A 7 -9.299 -4.209 -6.834 1.00 0.00 C ATOM 145 CG GLU A 7 -10.291 -4.678 -5.784 1.00 0.00 C ATOM 146 CD GLU A 7 -11.201 -5.778 -6.292 1.00 0.00 C ATOM 147 OE1 GLU A 7 -11.932 -5.538 -7.276 1.00 0.00 O ATOM 148 OE2 GLU A 7 -11.184 -6.881 -5.705 1.00 0.00 O ATOM 0 H GLU A 7 -10.072 -1.887 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.820 -3.456 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.847 -3.853 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.698 -5.058 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.747 -5.036 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.896 -3.832 -5.458 1.00 0.00 H new ATOM 155 N ASP A 8 -7.647 -1.710 -8.236 1.00 0.00 N ATOM 156 CA ASP A 8 -6.755 -1.310 -9.329 1.00 0.00 C ATOM 157 C ASP A 8 -5.421 -0.750 -8.814 1.00 0.00 C ATOM 158 O ASP A 8 -4.349 -1.225 -9.196 1.00 0.00 O ATOM 159 CB ASP A 8 -7.446 -0.304 -10.240 1.00 0.00 C ATOM 160 CG ASP A 8 -6.550 0.162 -11.374 1.00 0.00 C ATOM 161 OD1 ASP A 8 -6.166 -0.683 -12.210 1.00 0.00 O ATOM 162 OD2 ASP A 8 -6.225 1.367 -11.424 1.00 0.00 O ATOM 0 H ASP A 8 -8.490 -1.143 -8.148 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.525 -2.207 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.348 -0.754 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.761 0.558 -9.652 1.00 0.00 H new ATOM 167 N ILE A 9 -5.490 0.230 -7.918 1.00 0.00 N ATOM 168 CA ILE A 9 -4.300 0.818 -7.322 1.00 0.00 C ATOM 169 C ILE A 9 -3.657 -0.201 -6.399 1.00 0.00 C ATOM 170 O ILE A 9 -2.449 -0.433 -6.452 1.00 0.00 O ATOM 171 CB ILE A 9 -4.636 2.118 -6.547 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.792 3.288 -7.520 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.571 2.435 -5.504 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.182 4.586 -6.848 1.00 0.00 C ATOM 0 H ILE A 9 -6.366 0.635 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.605 1.088 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.579 1.962 -6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.853 3.433 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.546 3.033 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.837 3.352 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.505 1.614 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.607 2.566 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.274 5.371 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.136 4.459 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.417 4.865 -6.124 1.00 0.00 H new ATOM 186 N ARG A 10 -4.488 -0.841 -5.582 1.00 0.00 N ATOM 187 CA ARG A 10 -4.021 -1.879 -4.675 1.00 0.00 C ATOM 188 C ARG A 10 -3.293 -2.933 -5.490 1.00 0.00 C ATOM 189 O ARG A 10 -2.322 -3.536 -5.034 1.00 0.00 O ATOM 190 CB ARG A 10 -5.214 -2.500 -3.935 1.00 0.00 C ATOM 191 CG ARG A 10 -4.844 -3.322 -2.710 1.00 0.00 C ATOM 192 CD ARG A 10 -4.349 -4.708 -3.087 1.00 0.00 C ATOM 193 NE ARG A 10 -5.317 -5.434 -3.906 1.00 0.00 N ATOM 194 CZ ARG A 10 -6.507 -5.839 -3.467 1.00 0.00 C ATOM 195 NH1 ARG A 10 -6.862 -5.637 -2.204 1.00 0.00 N ATOM 196 NH2 ARG A 10 -7.340 -6.462 -4.289 1.00 0.00 N ATOM 0 H ARG A 10 -5.490 -0.657 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.344 -1.457 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.890 -1.702 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.764 -3.135 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.071 -2.802 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.712 -3.412 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.408 -4.621 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.142 -5.277 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.066 -5.643 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.222 -5.169 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.775 -5.950 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.069 -6.631 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.252 -6.772 -3.953 1.00 0.00 H new ATOM 210 N GLY A 11 -3.750 -3.112 -6.727 1.00 0.00 N ATOM 211 CA GLY A 11 -3.106 -4.058 -7.613 1.00 0.00 C ATOM 212 C GLY A 11 -1.691 -3.617 -7.875 1.00 0.00 C ATOM 213 O GLY A 11 -0.749 -4.411 -7.824 1.00 0.00 O ATOM 0 H GLY A 11 -4.550 -2.621 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.112 -5.052 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.656 -4.127 -8.551 1.00 0.00 H new ATOM 217 N GLN A 12 -1.550 -2.319 -8.110 1.00 0.00 N ATOM 218 CA GLN A 12 -0.251 -1.717 -8.333 1.00 0.00 C ATOM 219 C GLN A 12 0.601 -1.864 -7.079 1.00 0.00 C ATOM 220 O GLN A 12 1.823 -1.950 -7.155 1.00 0.00 O ATOM 221 CB GLN A 12 -0.406 -0.236 -8.684 1.00 0.00 C ATOM 222 CG GLN A 12 -1.271 0.018 -9.906 1.00 0.00 C ATOM 223 CD GLN A 12 -1.347 1.489 -10.271 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.328 2.126 -10.541 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.557 2.035 -10.280 1.00 0.00 N ATOM 0 H GLN A 12 -2.329 -1.662 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 12 0.237 -2.225 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.837 0.287 -7.830 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.582 0.193 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.872 -0.542 -10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.277 -0.359 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.374 1.469 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.670 3.021 -10.517 1.00 0.00 H new ATOM 234 N ILE A 13 -0.066 -1.891 -5.922 1.00 0.00 N ATOM 235 CA ILE A 13 0.614 -2.026 -4.639 1.00 0.00 C ATOM 236 C ILE A 13 1.194 -3.426 -4.475 1.00 0.00 C ATOM 237 O ILE A 13 2.319 -3.587 -4.010 1.00 0.00 O ATOM 238 CB ILE A 13 -0.336 -1.726 -3.461 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.901 -0.309 -3.581 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.387 -1.899 -2.130 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.853 0.060 -2.466 1.00 0.00 C ATOM 0 H ILE A 13 -1.081 -1.821 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 13 1.424 -1.297 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.163 -2.435 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.075 0.402 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.418 -0.213 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.300 -1.683 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.746 -2.924 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.233 -1.213 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.213 1.078 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.698 -0.628 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.335 -0.003 -1.509 1.00 0.00 H new ATOM 253 N ILE A 14 0.424 -4.437 -4.865 1.00 0.00 N ATOM 254 CA ILE A 14 0.880 -5.818 -4.767 1.00 0.00 C ATOM 255 C ILE A 14 2.177 -6.006 -5.552 1.00 0.00 C ATOM 256 O ILE A 14 3.177 -6.476 -5.009 1.00 0.00 O ATOM 257 CB ILE A 14 -0.203 -6.799 -5.278 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.265 -7.027 -4.199 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.410 -8.128 -5.706 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.737 -7.740 -2.972 1.00 0.00 C ATOM 0 H ILE A 14 -0.514 -4.326 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 14 1.068 -6.038 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.676 -6.351 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.680 -6.064 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.083 -7.609 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.377 -8.794 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.128 -7.956 -6.508 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.918 -8.585 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.544 -7.867 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.348 -8.717 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.062 -7.149 -2.523 1.00 0.00 H new ATOM 272 N GLY A 15 2.159 -5.613 -6.820 1.00 0.00 N ATOM 273 CA GLY A 15 3.351 -5.725 -7.640 1.00 0.00 C ATOM 274 C GLY A 15 4.437 -4.782 -7.165 1.00 0.00 C ATOM 275 O GLY A 15 5.621 -5.121 -7.170 1.00 0.00 O ATOM 0 H GLY A 15 1.345 -5.221 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.719 -6.751 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.103 -5.504 -8.678 1.00 0.00 H new ATOM 279 N ALA A 16 4.017 -3.594 -6.748 1.00 0.00 N ATOM 280 CA ALA A 16 4.928 -2.571 -6.252 1.00 0.00 C ATOM 281 C ALA A 16 5.670 -3.047 -5.006 1.00 0.00 C ATOM 282 O ALA A 16 6.790 -2.620 -4.733 1.00 0.00 O ATOM 283 CB ALA A 16 4.152 -1.293 -5.955 1.00 0.00 C ATOM 0 H ALA A 16 3.036 -3.313 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 16 5.672 -2.369 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.836 -0.530 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.672 -0.938 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.392 -1.496 -5.201 1.00 0.00 H new ATOM 289 N LEU A 17 5.033 -3.937 -4.256 1.00 0.00 N ATOM 290 CA LEU A 17 5.613 -4.481 -3.039 1.00 0.00 C ATOM 291 C LEU A 17 6.543 -5.638 -3.363 1.00 0.00 C ATOM 292 O LEU A 17 7.514 -5.890 -2.648 1.00 0.00 O ATOM 293 CB LEU A 17 4.497 -4.941 -2.100 1.00 0.00 C ATOM 294 CG LEU A 17 3.769 -3.812 -1.361 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.494 -4.326 -0.710 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.684 -3.183 -0.317 1.00 0.00 C ATOM 0 H LEU A 17 4.105 -4.299 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 17 6.197 -3.704 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.767 -5.508 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.920 -5.624 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 17 3.496 -3.048 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.995 -3.507 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.831 -4.729 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.741 -5.111 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.152 -2.383 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.988 -3.941 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.568 -2.774 -0.807 1.00 0.00 H new ATOM 308 N ALA A 18 6.241 -6.334 -4.449 1.00 0.00 N ATOM 309 CA ALA A 18 7.055 -7.466 -4.877 1.00 0.00 C ATOM 310 C ALA A 18 8.480 -7.021 -5.185 1.00 0.00 C ATOM 311 O ALA A 18 8.693 -6.056 -5.920 1.00 0.00 O ATOM 312 CB ALA A 18 6.433 -8.135 -6.093 1.00 0.00 C ATOM 0 H ALA A 18 5.441 -6.137 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 18 7.092 -8.189 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.052 -8.978 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.434 -8.491 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.367 -7.416 -6.910 1.00 0.00 H new ATOM 318 N GLY A 19 9.456 -7.724 -4.617 1.00 0.00 N ATOM 319 CA GLY A 19 10.847 -7.377 -4.846 1.00 0.00 C ATOM 320 C GLY A 19 11.590 -7.060 -3.561 1.00 0.00 C ATOM 321 O GLY A 19 12.783 -7.340 -3.441 1.00 0.00 O ATOM 0 H GLY A 19 9.309 -8.526 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.344 -8.203 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.898 -6.516 -5.512 1.00 0.00 H new ATOM 325 N ALA A 20 10.883 -6.467 -2.602 1.00 0.00 N ATOM 326 CA ALA A 20 11.478 -6.100 -1.318 1.00 0.00 C ATOM 327 C ALA A 20 12.175 -7.284 -0.671 1.00 0.00 C ATOM 328 O ALA A 20 12.253 -8.366 -1.251 1.00 0.00 O ATOM 329 CB ALA A 20 10.402 -5.572 -0.382 1.00 0.00 C ATOM 0 H ALA A 20 9.895 -6.230 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 20 12.222 -5.325 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.852 -5.300 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.933 -4.693 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.649 -6.343 -0.222 1.00 0.00 H new ATOM 335 N ASP A 21 12.644 -7.075 0.555 1.00 0.00 N ATOM 336 CA ASP A 21 13.293 -8.133 1.319 1.00 0.00 C ATOM 337 C ASP A 21 12.283 -9.263 1.500 1.00 0.00 C ATOM 338 O ASP A 21 11.768 -9.783 0.510 1.00 0.00 O ATOM 339 CB ASP A 21 13.775 -7.570 2.659 1.00 0.00 C ATOM 340 CG ASP A 21 15.046 -6.756 2.521 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.575 -6.664 1.393 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.516 -6.213 3.543 1.00 0.00 O ATOM 0 H ASP A 21 12.586 -6.180 1.041 1.00 0.00 H new ATOM 0 HA ASP A 21 14.169 -8.523 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.992 -6.946 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.947 -8.392 3.354 1.00 0.00 H new ATOM 347 N PHE A 22 11.927 -9.618 2.735 1.00 0.00 N ATOM 348 CA PHE A 22 10.907 -10.636 2.914 1.00 0.00 C ATOM 349 C PHE A 22 9.647 -10.095 2.255 1.00 0.00 C ATOM 350 O PHE A 22 9.671 -8.981 1.732 1.00 0.00 O ATOM 351 CB PHE A 22 10.688 -10.970 4.409 1.00 0.00 C ATOM 352 CG PHE A 22 9.873 -9.965 5.201 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.641 -9.543 4.730 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.330 -9.447 6.407 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.891 -8.627 5.442 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.588 -8.536 7.121 1.00 0.00 C ATOM 357 CZ PHE A 22 8.392 -8.125 6.665 1.00 0.00 C ATOM 0 H PHE A 22 12.316 -9.229 3.594 1.00 0.00 H new ATOM 0 HA PHE A 22 11.207 -11.578 2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.196 -11.941 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.663 -11.073 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.263 -9.934 3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.287 -9.767 6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.933 -8.298 5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.968 -8.148 8.054 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.814 -7.411 7.233 1.00 0.00 H new ATOM 367 N PRO A 23 8.528 -10.818 2.259 1.00 0.00 N ATOM 368 CA PRO A 23 7.315 -10.301 1.644 1.00 0.00 C ATOM 369 C PRO A 23 6.762 -9.073 2.385 1.00 0.00 C ATOM 370 O PRO A 23 5.668 -9.136 2.940 1.00 0.00 O ATOM 371 CB PRO A 23 6.342 -11.478 1.713 1.00 0.00 C ATOM 372 CG PRO A 23 6.834 -12.315 2.839 1.00 0.00 C ATOM 373 CD PRO A 23 8.332 -12.154 2.852 1.00 0.00 C ATOM 0 HA PRO A 23 7.489 -9.951 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.322 -11.137 1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.333 -12.039 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.399 -11.992 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.555 -13.359 2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.735 -12.210 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.826 -12.931 2.269 1.00 0.00 H new ATOM 381 N ILE A 24 7.527 -7.951 2.357 1.00 0.00 N ATOM 382 CA ILE A 24 7.124 -6.666 2.979 1.00 0.00 C ATOM 383 C ILE A 24 7.895 -6.287 4.256 1.00 0.00 C ATOM 384 O ILE A 24 7.299 -6.107 5.318 1.00 0.00 O ATOM 385 CB ILE A 24 5.614 -6.628 3.267 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.855 -6.828 1.962 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.218 -5.312 3.918 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.206 -5.793 0.929 1.00 0.00 C ATOM 0 H ILE A 24 8.439 -7.914 1.903 1.00 0.00 H new ATOM 0 HA ILE A 24 7.387 -5.919 2.229 1.00 0.00 H new ATOM 0 HB ILE A 24 5.362 -7.429 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.073 -7.820 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.784 -6.792 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.145 -5.310 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.757 -5.195 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.468 -4.487 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.638 -5.981 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.963 -4.801 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.272 -5.846 0.709 1.00 0.00 H new ATOM 400 N ASN A 25 9.208 -6.129 4.139 1.00 0.00 N ATOM 401 CA ASN A 25 10.053 -5.735 5.277 1.00 0.00 C ATOM 402 C ASN A 25 9.685 -4.359 5.815 1.00 0.00 C ATOM 403 O ASN A 25 10.473 -3.420 5.697 1.00 0.00 O ATOM 404 CB ASN A 25 11.510 -5.706 4.856 1.00 0.00 C ATOM 405 CG ASN A 25 12.211 -7.019 5.115 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.806 -8.064 4.615 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.274 -6.964 5.908 1.00 0.00 N ATOM 0 H ASN A 25 9.719 -6.267 3.267 1.00 0.00 H new ATOM 0 HA ASN A 25 9.890 -6.473 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.574 -5.466 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.025 -4.910 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.793 -7.815 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.572 -6.071 6.300 1.00 0.00 H new ATOM 414 N SER A 26 8.500 -4.225 6.392 1.00 0.00 N ATOM 415 CA SER A 26 8.070 -2.938 6.914 1.00 0.00 C ATOM 416 C SER A 26 8.108 -1.913 5.791 1.00 0.00 C ATOM 417 O SER A 26 8.851 -2.070 4.823 1.00 0.00 O ATOM 418 CB SER A 26 8.966 -2.482 8.070 1.00 0.00 C ATOM 419 OG SER A 26 10.250 -2.096 7.609 1.00 0.00 O ATOM 0 H SER A 26 7.827 -4.982 6.510 1.00 0.00 H new ATOM 0 HA SER A 26 7.055 -3.035 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.497 -1.645 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.066 -3.290 8.795 1.00 0.00 H new ATOM 0 HG SER A 26 10.318 -2.270 6.647 1.00 0.00 H new ATOM 425 N PRO A 27 7.303 -0.860 5.874 1.00 0.00 N ATOM 426 CA PRO A 27 7.275 0.146 4.829 1.00 0.00 C ATOM 427 C PRO A 27 8.662 0.619 4.436 1.00 0.00 C ATOM 428 O PRO A 27 8.898 0.934 3.285 1.00 0.00 O ATOM 429 CB PRO A 27 6.444 1.277 5.430 1.00 0.00 C ATOM 430 CG PRO A 27 5.573 0.608 6.441 1.00 0.00 C ATOM 431 CD PRO A 27 6.352 -0.573 6.958 1.00 0.00 C ATOM 0 HA PRO A 27 6.853 -0.243 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.079 2.033 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.851 1.782 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.322 1.293 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.633 0.287 5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.866 -0.338 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.703 -1.425 7.158 1.00 0.00 H new ATOM 439 N GLU A 28 9.584 0.654 5.379 1.00 0.00 N ATOM 440 CA GLU A 28 10.939 1.085 5.068 1.00 0.00 C ATOM 441 C GLU A 28 11.497 0.302 3.876 1.00 0.00 C ATOM 442 O GLU A 28 11.902 0.876 2.860 1.00 0.00 O ATOM 443 CB GLU A 28 11.844 0.878 6.284 1.00 0.00 C ATOM 444 CG GLU A 28 11.330 1.548 7.549 1.00 0.00 C ATOM 445 CD GLU A 28 12.250 1.340 8.735 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.425 1.756 8.655 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.795 0.759 9.743 1.00 0.00 O ATOM 0 H GLU A 28 9.427 0.394 6.353 1.00 0.00 H new ATOM 0 HA GLU A 28 10.911 2.144 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.952 -0.191 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.837 1.264 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.213 2.616 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.342 1.155 7.788 1.00 0.00 H new ATOM 454 N GLU A 29 11.519 -1.014 4.015 1.00 0.00 N ATOM 455 CA GLU A 29 12.039 -1.888 2.979 1.00 0.00 C ATOM 456 C GLU A 29 11.104 -2.036 1.791 1.00 0.00 C ATOM 457 O GLU A 29 11.491 -1.760 0.661 1.00 0.00 O ATOM 458 CB GLU A 29 12.253 -3.247 3.562 1.00 0.00 C ATOM 459 CG GLU A 29 13.022 -4.170 2.638 1.00 0.00 C ATOM 460 CD GLU A 29 14.401 -3.640 2.293 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.804 -2.611 2.875 1.00 0.00 O ATOM 462 OE2 GLU A 29 15.076 -4.245 1.434 1.00 0.00 O ATOM 0 H GLU A 29 11.179 -1.502 4.843 1.00 0.00 H new ATOM 0 HA GLU A 29 12.964 -1.437 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.793 -3.152 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.286 -3.695 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.121 -5.148 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.453 -4.314 1.720 1.00 0.00 H new ATOM 469 N LEU A 30 9.880 -2.496 2.040 1.00 0.00 N ATOM 470 CA LEU A 30 8.917 -2.691 0.961 1.00 0.00 C ATOM 471 C LEU A 30 8.840 -1.419 0.119 1.00 0.00 C ATOM 472 O LEU A 30 8.815 -1.467 -1.115 1.00 0.00 O ATOM 473 CB LEU A 30 7.546 -3.049 1.545 1.00 0.00 C ATOM 474 CG LEU A 30 6.824 -1.897 2.241 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.086 -1.032 1.233 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.867 -2.417 3.299 1.00 0.00 C ATOM 0 H LEU A 30 9.535 -2.738 2.969 1.00 0.00 H new ATOM 0 HA LEU A 30 9.237 -3.514 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.912 -3.424 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.672 -3.864 2.258 1.00 0.00 H new ATOM 0 HG LEU A 30 7.576 -1.281 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.580 -0.219 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.798 -0.619 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.350 -1.637 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.365 -1.577 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.125 -3.064 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.423 -2.984 4.046 1.00 0.00 H new ATOM 488 N MET A 31 8.866 -0.279 0.803 1.00 0.00 N ATOM 489 CA MET A 31 8.861 1.017 0.140 1.00 0.00 C ATOM 490 C MET A 31 10.137 1.148 -0.676 1.00 0.00 C ATOM 491 O MET A 31 10.145 1.760 -1.743 1.00 0.00 O ATOM 492 CB MET A 31 8.780 2.146 1.174 1.00 0.00 C ATOM 493 CG MET A 31 8.667 3.544 0.594 1.00 0.00 C ATOM 494 SD MET A 31 8.772 4.820 1.864 1.00 0.00 S ATOM 495 CE MET A 31 7.465 4.297 2.973 1.00 0.00 C ATOM 0 H MET A 31 8.891 -0.229 1.821 1.00 0.00 H new ATOM 0 HA MET A 31 7.991 1.091 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.919 1.966 1.818 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.667 2.103 1.807 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.460 3.697 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.720 3.640 0.063 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.295 5.068 3.724 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.549 4.136 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.755 3.369 3.465 1.00 0.00 H new ATOM 505 N ALA A 32 11.222 0.550 -0.169 1.00 0.00 N ATOM 506 CA ALA A 32 12.499 0.595 -0.873 1.00 0.00 C ATOM 507 C ALA A 32 12.503 -0.358 -2.071 1.00 0.00 C ATOM 508 O ALA A 32 13.324 -0.226 -2.978 1.00 0.00 O ATOM 509 CB ALA A 32 13.636 0.257 0.077 1.00 0.00 C ATOM 0 H ALA A 32 11.238 0.038 0.713 1.00 0.00 H new ATOM 0 HA ALA A 32 12.643 1.608 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.583 0.294 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.654 0.978 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.487 -0.744 0.481 1.00 0.00 H new ATOM 515 N ALA A 33 11.601 -1.335 -2.044 1.00 0.00 N ATOM 516 CA ALA A 33 11.510 -2.341 -3.095 1.00 0.00 C ATOM 517 C ALA A 33 10.861 -1.833 -4.375 1.00 0.00 C ATOM 518 O ALA A 33 11.308 -2.171 -5.470 1.00 0.00 O ATOM 519 CB ALA A 33 10.724 -3.527 -2.588 1.00 0.00 C ATOM 0 H ALA A 33 10.916 -1.451 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 33 12.534 -2.617 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.655 -4.280 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.227 -3.953 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.722 -3.205 -2.305 1.00 0.00 H new ATOM 525 N LEU A 34 9.776 -1.075 -4.230 1.00 0.00 N ATOM 526 CA LEU A 34 9.022 -0.568 -5.383 1.00 0.00 C ATOM 527 C LEU A 34 9.883 -0.382 -6.642 1.00 0.00 C ATOM 528 O LEU A 34 11.079 -0.098 -6.566 1.00 0.00 O ATOM 529 CB LEU A 34 8.272 0.714 -5.032 1.00 0.00 C ATOM 530 CG LEU A 34 7.006 0.487 -4.194 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.355 0.281 -2.730 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.016 1.630 -4.363 1.00 0.00 C ATOM 0 H LEU A 34 9.396 -0.796 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 34 8.292 -1.339 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.943 1.377 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.998 1.227 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 34 6.526 -0.421 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.441 0.122 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.002 -0.590 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.872 1.163 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.131 1.438 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.480 2.563 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.727 1.709 -5.411 1.00 0.00 H new ATOM 544 N PRO A 35 9.263 -0.597 -7.820 1.00 0.00 N ATOM 545 CA PRO A 35 9.933 -0.525 -9.130 1.00 0.00 C ATOM 546 C PRO A 35 10.816 0.705 -9.351 1.00 0.00 C ATOM 547 O PRO A 35 11.956 0.573 -9.796 1.00 0.00 O ATOM 548 CB PRO A 35 8.760 -0.501 -10.110 1.00 0.00 C ATOM 549 CG PRO A 35 7.671 -1.250 -9.423 1.00 0.00 C ATOM 550 CD PRO A 35 7.843 -0.987 -7.954 1.00 0.00 C ATOM 0 HA PRO A 35 10.629 -1.356 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.455 0.521 -10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.026 -0.971 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.692 -0.915 -9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.737 -2.317 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.178 -0.194 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.616 -1.873 -7.361 1.00 0.00 H new ATOM 558 N ASN A 36 10.295 1.895 -9.082 1.00 0.00 N ATOM 559 CA ASN A 36 11.068 3.117 -9.309 1.00 0.00 C ATOM 560 C ASN A 36 12.191 3.293 -8.281 1.00 0.00 C ATOM 561 O ASN A 36 13.085 4.117 -8.471 1.00 0.00 O ATOM 562 CB ASN A 36 10.157 4.355 -9.312 1.00 0.00 C ATOM 563 CG ASN A 36 9.669 4.769 -7.931 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.711 3.857 -6.967 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 9.222 5.901 -7.742 1.00 0.00 N flip ATOM 0 H ASN A 36 9.356 2.044 -8.712 1.00 0.00 H new ATOM 0 HA ASN A 36 11.530 3.015 -10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.697 5.189 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.293 4.156 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.205 6.577 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.869 6.163 -6.822 1.00 0.00 H new ATOM 572 N GLY A 37 12.143 2.524 -7.195 1.00 0.00 N ATOM 573 CA GLY A 37 13.163 2.630 -6.166 1.00 0.00 C ATOM 574 C GLY A 37 12.668 3.349 -4.921 1.00 0.00 C ATOM 575 O GLY A 37 12.504 2.725 -3.873 1.00 0.00 O ATOM 0 H GLY A 37 11.418 1.831 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.503 1.631 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.026 3.161 -6.569 1.00 0.00 H new ATOM 579 N PRO A 38 12.417 4.672 -4.997 1.00 0.00 N ATOM 580 CA PRO A 38 11.940 5.452 -3.855 1.00 0.00 C ATOM 581 C PRO A 38 10.424 5.374 -3.678 1.00 0.00 C ATOM 582 O PRO A 38 9.767 6.382 -3.418 1.00 0.00 O ATOM 583 CB PRO A 38 12.365 6.871 -4.217 1.00 0.00 C ATOM 584 CG PRO A 38 12.302 6.916 -5.706 1.00 0.00 C ATOM 585 CD PRO A 38 12.585 5.513 -6.198 1.00 0.00 C ATOM 0 HA PRO A 38 12.345 5.089 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.700 7.610 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.371 7.088 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.321 7.253 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.034 7.620 -6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.895 5.221 -6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.592 5.429 -6.606 1.00 0.00 H new ATOM 593 N ASP A 39 9.876 4.170 -3.814 1.00 0.00 N ATOM 594 CA ASP A 39 8.443 3.953 -3.666 1.00 0.00 C ATOM 595 C ASP A 39 7.638 4.731 -4.702 1.00 0.00 C ATOM 596 O ASP A 39 7.335 5.911 -4.524 1.00 0.00 O ATOM 597 CB ASP A 39 7.999 4.305 -2.247 1.00 0.00 C ATOM 598 CG ASP A 39 6.491 4.390 -2.092 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.814 3.360 -2.285 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.989 5.490 -1.777 1.00 0.00 O ATOM 0 H ASP A 39 10.408 3.326 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 39 8.246 2.895 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.386 3.556 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.441 5.260 -1.962 1.00 0.00 H new ATOM 605 N THR A 40 7.296 4.039 -5.781 1.00 0.00 N ATOM 606 CA THR A 40 6.520 4.616 -6.868 1.00 0.00 C ATOM 607 C THR A 40 5.083 4.869 -6.436 1.00 0.00 C ATOM 608 O THR A 40 4.442 4.002 -5.843 1.00 0.00 O ATOM 609 CB THR A 40 6.517 3.686 -8.095 1.00 0.00 C ATOM 610 OG1 THR A 40 5.682 4.231 -9.123 1.00 0.00 O ATOM 611 CG2 THR A 40 6.026 2.295 -7.715 1.00 0.00 C ATOM 0 H THR A 40 7.549 3.062 -5.926 1.00 0.00 H new ATOM 0 HA THR A 40 6.989 5.563 -7.134 1.00 0.00 H new ATOM 0 HB THR A 40 7.539 3.605 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.688 3.634 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.032 1.654 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.683 1.872 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.012 2.362 -7.322 1.00 0.00 H new ATOM 619 N THR A 41 4.579 6.060 -6.734 1.00 0.00 N ATOM 620 CA THR A 41 3.215 6.413 -6.370 1.00 0.00 C ATOM 621 C THR A 41 2.210 5.744 -7.304 1.00 0.00 C ATOM 622 O THR A 41 2.273 5.916 -8.520 1.00 0.00 O ATOM 623 CB THR A 41 2.995 7.937 -6.416 1.00 0.00 C ATOM 624 OG1 THR A 41 4.062 8.609 -5.736 1.00 0.00 O ATOM 625 CG2 THR A 41 1.670 8.303 -5.765 1.00 0.00 C ATOM 0 H THR A 41 5.092 6.793 -7.224 1.00 0.00 H new ATOM 0 HA THR A 41 3.059 6.060 -5.350 1.00 0.00 H new ATOM 0 HB THR A 41 2.977 8.250 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.914 9.577 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.531 9.383 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.855 7.811 -6.297 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.673 7.977 -4.725 1.00 0.00 H new ATOM 633 N CYS A 42 1.277 4.991 -6.729 1.00 0.00 N ATOM 634 CA CYS A 42 0.253 4.312 -7.517 1.00 0.00 C ATOM 635 C CYS A 42 -0.976 5.202 -7.678 1.00 0.00 C ATOM 636 O CYS A 42 -2.110 4.748 -7.522 1.00 0.00 O ATOM 637 CB CYS A 42 -0.138 2.985 -6.862 1.00 0.00 C ATOM 638 SG CYS A 42 1.245 1.846 -6.620 1.00 0.00 S ATOM 0 H CYS A 42 1.209 4.836 -5.723 1.00 0.00 H new ATOM 0 HA CYS A 42 0.665 4.104 -8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.599 3.191 -5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.893 2.497 -7.478 1.00 0.00 H new ATOM 0 HG CYS A 42 0.815 0.755 -6.059 1.00 0.00 H new ATOM 644 N LYS A 43 -0.740 6.473 -7.986 1.00 0.00 N ATOM 645 CA LYS A 43 -1.819 7.436 -8.162 1.00 0.00 C ATOM 646 C LYS A 43 -2.523 7.235 -9.501 1.00 0.00 C ATOM 647 O LYS A 43 -1.911 6.804 -10.477 1.00 0.00 O ATOM 648 CB LYS A 43 -1.276 8.863 -8.064 1.00 0.00 C ATOM 649 CG LYS A 43 -0.214 9.181 -9.105 1.00 0.00 C ATOM 650 CD LYS A 43 0.288 10.610 -8.969 1.00 0.00 C ATOM 651 CE LYS A 43 1.347 10.930 -10.012 1.00 0.00 C ATOM 652 NZ LYS A 43 2.530 10.034 -9.895 1.00 0.00 N ATOM 0 H LYS A 43 0.194 6.861 -8.119 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.547 7.275 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.102 9.566 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.856 9.016 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.621 8.489 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.625 9.032 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.548 11.302 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.702 10.758 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.916 10.834 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.664 11.967 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.312 10.415 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.824 9.975 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.282 9.085 -10.239 1.00 0.00 H new ATOM 666 N SER A 44 -3.814 7.549 -9.535 1.00 0.00 N ATOM 667 CA SER A 44 -4.607 7.402 -10.750 1.00 0.00 C ATOM 668 C SER A 44 -5.686 8.477 -10.825 1.00 0.00 C ATOM 669 O SER A 44 -6.448 8.670 -9.878 1.00 0.00 O ATOM 670 CB SER A 44 -5.254 6.017 -10.790 1.00 0.00 C ATOM 671 OG SER A 44 -4.274 4.993 -10.779 1.00 0.00 O ATOM 0 H SER A 44 -4.334 7.907 -8.734 1.00 0.00 H new ATOM 0 HA SER A 44 -3.943 7.515 -11.607 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.918 5.898 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.869 5.926 -11.685 1.00 0.00 H new ATOM 0 HG SER A 44 -4.715 4.118 -10.804 1.00 0.00 H new ATOM 677 N GLY A 45 -5.745 9.177 -11.955 1.00 0.00 N ATOM 678 CA GLY A 45 -6.733 10.229 -12.131 1.00 0.00 C ATOM 679 C GLY A 45 -6.449 11.455 -11.278 1.00 0.00 C ATOM 680 O GLY A 45 -6.423 12.577 -11.783 1.00 0.00 O ATOM 0 H GLY A 45 -5.126 9.035 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.762 10.522 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.720 9.839 -11.881 1.00 0.00 H new ATOM 684 N ASP A 46 -6.234 11.239 -9.985 1.00 0.00 N ATOM 685 CA ASP A 46 -5.949 12.326 -9.057 1.00 0.00 C ATOM 686 C ASP A 46 -5.530 11.771 -7.699 1.00 0.00 C ATOM 687 O ASP A 46 -4.618 12.293 -7.058 1.00 0.00 O ATOM 688 CB ASP A 46 -7.171 13.238 -8.908 1.00 0.00 C ATOM 689 CG ASP A 46 -8.400 12.496 -8.420 1.00 0.00 C ATOM 690 OD1 ASP A 46 -8.373 11.983 -7.282 1.00 0.00 O ATOM 691 OD2 ASP A 46 -9.391 12.428 -9.177 1.00 0.00 O ATOM 0 H ASP A 46 -6.252 10.315 -9.554 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.125 12.916 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.936 14.042 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.391 13.704 -9.869 1.00 0.00 H new ATOM 696 N VAL A 47 -6.197 10.702 -7.274 1.00 0.00 N ATOM 697 CA VAL A 47 -5.892 10.062 -6.002 1.00 0.00 C ATOM 698 C VAL A 47 -4.508 9.423 -6.037 1.00 0.00 C ATOM 699 O VAL A 47 -4.130 8.801 -7.029 1.00 0.00 O ATOM 700 CB VAL A 47 -6.937 8.983 -5.659 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.676 8.397 -4.280 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.345 9.556 -5.744 1.00 0.00 C ATOM 0 H VAL A 47 -6.955 10.261 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.915 10.836 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.850 8.179 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.426 7.638 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.684 7.945 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.730 9.188 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.069 8.779 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.445 10.381 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.530 9.918 -6.755 1.00 0.00 H new ATOM 712 N GLU A 48 -3.753 9.579 -4.952 1.00 0.00 N ATOM 713 CA GLU A 48 -2.409 9.012 -4.877 1.00 0.00 C ATOM 714 C GLU A 48 -2.281 8.071 -3.682 1.00 0.00 C ATOM 715 O GLU A 48 -2.724 8.389 -2.579 1.00 0.00 O ATOM 716 CB GLU A 48 -1.365 10.125 -4.768 1.00 0.00 C ATOM 717 CG GLU A 48 -1.586 11.270 -5.743 1.00 0.00 C ATOM 718 CD GLU A 48 -0.537 12.357 -5.611 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.423 12.943 -4.513 1.00 0.00 O ATOM 720 OE2 GLU A 48 0.170 12.623 -6.605 1.00 0.00 O ATOM 0 H GLU A 48 -4.046 10.089 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.234 8.444 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.372 10.519 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.376 9.701 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.576 10.882 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.573 11.700 -5.575 1.00 0.00 H new ATOM 727 N LEU A 49 -1.668 6.913 -3.910 1.00 0.00 N ATOM 728 CA LEU A 49 -1.474 5.925 -2.853 1.00 0.00 C ATOM 729 C LEU A 49 -0.106 5.266 -2.968 1.00 0.00 C ATOM 730 O LEU A 49 0.348 4.931 -4.062 1.00 0.00 O ATOM 731 CB LEU A 49 -2.566 4.852 -2.894 1.00 0.00 C ATOM 732 CG LEU A 49 -3.956 5.307 -2.443 1.00 0.00 C ATOM 733 CD1 LEU A 49 -3.886 5.933 -1.058 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.562 6.276 -3.448 1.00 0.00 C ATOM 0 H LEU A 49 -1.297 6.635 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.534 6.451 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.640 4.473 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.255 4.018 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.604 4.432 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.883 6.251 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.504 5.201 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.221 6.796 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.550 6.585 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.920 7.152 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.651 5.786 -4.418 1.00 0.00 H new ATOM 746 N LYS A 50 0.546 5.085 -1.825 1.00 0.00 N ATOM 747 CA LYS A 50 1.865 4.470 -1.783 1.00 0.00 C ATOM 748 C LYS A 50 2.320 4.269 -0.343 1.00 0.00 C ATOM 749 O LYS A 50 1.729 4.813 0.585 1.00 0.00 O ATOM 750 CB LYS A 50 2.875 5.323 -2.550 1.00 0.00 C ATOM 751 CG LYS A 50 2.925 6.769 -2.089 1.00 0.00 C ATOM 752 CD LYS A 50 3.803 7.610 -2.998 1.00 0.00 C ATOM 753 CE LYS A 50 3.724 9.085 -2.642 1.00 0.00 C ATOM 754 NZ LYS A 50 4.183 9.347 -1.250 1.00 0.00 N ATOM 0 H LYS A 50 0.180 5.357 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 50 1.803 3.492 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.866 4.882 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.628 5.297 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.916 7.182 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.306 6.814 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.836 7.271 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.496 7.468 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.334 9.660 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.697 9.431 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.113 10.365 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.585 8.819 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.171 9.040 -1.147 1.00 0.00 H new ATOM 768 N ALA A 51 3.361 3.469 -0.165 1.00 0.00 N ATOM 769 CA ALA A 51 3.888 3.175 1.165 1.00 0.00 C ATOM 770 C ALA A 51 4.075 4.440 2.001 1.00 0.00 C ATOM 771 O ALA A 51 3.798 4.451 3.197 1.00 0.00 O ATOM 772 CB ALA A 51 5.204 2.421 1.051 1.00 0.00 C ATOM 0 H ALA A 51 3.861 3.009 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 51 3.155 2.551 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.588 2.207 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.042 1.485 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.926 3.030 0.507 1.00 0.00 H new ATOM 778 N SER A 52 4.558 5.503 1.376 1.00 0.00 N ATOM 779 CA SER A 52 4.786 6.756 2.085 1.00 0.00 C ATOM 780 C SER A 52 3.475 7.460 2.437 1.00 0.00 C ATOM 781 O SER A 52 3.317 7.970 3.547 1.00 0.00 O ATOM 782 CB SER A 52 5.676 7.675 1.251 1.00 0.00 C ATOM 783 OG SER A 52 5.879 8.918 1.901 1.00 0.00 O ATOM 0 H SER A 52 4.799 5.525 0.385 1.00 0.00 H new ATOM 0 HA SER A 52 5.290 6.519 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.637 7.193 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.219 7.842 0.276 1.00 0.00 H new ATOM 0 HG SER A 52 6.453 9.487 1.347 1.00 0.00 H new ATOM 789 N ASP A 53 2.542 7.501 1.490 1.00 0.00 N ATOM 790 CA ASP A 53 1.257 8.159 1.710 1.00 0.00 C ATOM 791 C ASP A 53 0.393 7.398 2.714 1.00 0.00 C ATOM 792 O ASP A 53 -0.086 7.967 3.693 1.00 0.00 O ATOM 793 CB ASP A 53 0.496 8.292 0.386 1.00 0.00 C ATOM 794 CG ASP A 53 -0.823 9.020 0.546 1.00 0.00 C ATOM 795 OD1 ASP A 53 -0.807 10.192 0.979 1.00 0.00 O ATOM 796 OD2 ASP A 53 -1.874 8.420 0.237 1.00 0.00 O ATOM 0 H ASP A 53 2.651 7.087 0.564 1.00 0.00 H new ATOM 0 HA ASP A 53 1.466 9.147 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.117 8.825 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.312 7.299 -0.025 1.00 0.00 H new ATOM 801 N ALA A 54 0.179 6.116 2.450 1.00 0.00 N ATOM 802 CA ALA A 54 -0.649 5.285 3.314 1.00 0.00 C ATOM 803 C ALA A 54 0.173 4.486 4.322 1.00 0.00 C ATOM 804 O ALA A 54 -0.175 4.419 5.498 1.00 0.00 O ATOM 805 CB ALA A 54 -1.493 4.349 2.470 1.00 0.00 C ATOM 0 H ALA A 54 0.568 5.628 1.643 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.293 5.952 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.110 3.730 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.134 4.933 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.842 3.711 1.873 1.00 0.00 H new ATOM 811 N GLY A 55 1.252 3.864 3.854 1.00 0.00 N ATOM 812 CA GLY A 55 2.087 3.057 4.734 1.00 0.00 C ATOM 813 C GLY A 55 2.377 3.724 6.068 1.00 0.00 C ATOM 814 O GLY A 55 2.554 3.046 7.079 1.00 0.00 O ATOM 0 H GLY A 55 1.564 3.903 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.595 2.101 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.030 2.841 4.231 1.00 0.00 H new ATOM 818 N GLN A 56 2.421 5.053 6.076 1.00 0.00 N ATOM 819 CA GLN A 56 2.685 5.798 7.305 1.00 0.00 C ATOM 820 C GLN A 56 1.755 5.353 8.431 1.00 0.00 C ATOM 821 O GLN A 56 2.104 5.437 9.608 1.00 0.00 O ATOM 822 CB GLN A 56 2.524 7.303 7.074 1.00 0.00 C ATOM 823 CG GLN A 56 1.198 7.694 6.445 1.00 0.00 C ATOM 824 CD GLN A 56 1.006 9.197 6.394 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.955 9.862 7.430 1.00 0.00 O ATOM 826 NE2 GLN A 56 0.905 9.745 5.190 1.00 0.00 N ATOM 0 H GLN A 56 2.278 5.635 5.250 1.00 0.00 H new ATOM 0 HA GLN A 56 3.714 5.589 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.628 7.820 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.335 7.650 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.144 7.289 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.383 7.245 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.952 9.158 4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.780 10.753 5.097 1.00 0.00 H new ATOM 835 N VAL A 57 0.566 4.892 8.059 1.00 0.00 N ATOM 836 CA VAL A 57 -0.428 4.443 9.030 1.00 0.00 C ATOM 837 C VAL A 57 -0.127 3.042 9.570 1.00 0.00 C ATOM 838 O VAL A 57 -1.042 2.320 9.971 1.00 0.00 O ATOM 839 CB VAL A 57 -1.839 4.460 8.412 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.191 5.868 7.955 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.932 3.473 7.255 1.00 0.00 C ATOM 0 H VAL A 57 0.265 4.819 7.087 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.383 5.141 9.866 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.558 4.153 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.190 5.870 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.166 6.545 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.469 6.199 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.937 3.501 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.208 3.744 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.718 2.467 7.617 1.00 0.00 H new ATOM 851 N LEU A 58 1.149 2.659 9.588 1.00 0.00 N ATOM 852 CA LEU A 58 1.544 1.348 10.090 1.00 0.00 C ATOM 853 C LEU A 58 2.609 1.494 11.175 1.00 0.00 C ATOM 854 O LEU A 58 3.642 2.131 10.962 1.00 0.00 O ATOM 855 CB LEU A 58 2.077 0.482 8.944 1.00 0.00 C ATOM 856 CG LEU A 58 1.178 0.433 7.704 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.837 -0.378 6.595 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.187 -0.143 8.053 1.00 0.00 C ATOM 0 H LEU A 58 1.923 3.237 9.261 1.00 0.00 H new ATOM 0 HA LEU A 58 0.669 0.863 10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.058 0.856 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.221 -0.534 9.312 1.00 0.00 H new ATOM 0 HG LEU A 58 1.036 1.452 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.183 -0.401 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.787 0.082 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.013 -1.396 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.810 -0.169 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.067 -1.154 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.663 0.482 8.809 1.00 0.00 H new ATOM 870 N THR A 59 2.349 0.909 12.340 1.00 0.00 N ATOM 871 CA THR A 59 3.282 0.982 13.461 1.00 0.00 C ATOM 872 C THR A 59 4.564 0.206 13.176 1.00 0.00 C ATOM 873 O THR A 59 4.575 -0.719 12.364 1.00 0.00 O ATOM 874 CB THR A 59 2.648 0.447 14.759 1.00 0.00 C ATOM 875 OG1 THR A 59 2.268 -0.924 14.592 1.00 0.00 O ATOM 876 CG2 THR A 59 1.429 1.272 15.145 1.00 0.00 C ATOM 0 H THR A 59 1.499 0.379 12.533 1.00 0.00 H new ATOM 0 HA THR A 59 3.526 2.036 13.591 1.00 0.00 H new ATOM 0 HB THR A 59 3.388 0.523 15.556 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.879 -1.358 13.960 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.998 0.876 16.064 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.726 2.309 15.301 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.689 1.223 14.347 1.00 0.00 H new ATOM 884 N ALA A 60 5.645 0.590 13.853 1.00 0.00 N ATOM 885 CA ALA A 60 6.938 -0.064 13.678 1.00 0.00 C ATOM 886 C ALA A 60 6.827 -1.571 13.890 1.00 0.00 C ATOM 887 O ALA A 60 7.420 -2.357 13.154 1.00 0.00 O ATOM 888 CB ALA A 60 7.962 0.529 14.634 1.00 0.00 C ATOM 0 H ALA A 60 5.649 1.353 14.530 1.00 0.00 H new ATOM 0 HA ALA A 60 7.268 0.109 12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.922 0.032 14.493 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.072 1.595 14.434 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.627 0.386 15.661 1.00 0.00 H new ATOM 894 N ASP A 61 6.055 -1.968 14.895 1.00 0.00 N ATOM 895 CA ASP A 61 5.857 -3.383 15.197 1.00 0.00 C ATOM 896 C ASP A 61 5.351 -4.139 13.970 1.00 0.00 C ATOM 897 O ASP A 61 5.492 -5.358 13.877 1.00 0.00 O ATOM 898 CB ASP A 61 4.869 -3.546 16.354 1.00 0.00 C ATOM 899 CG ASP A 61 5.350 -2.871 17.624 1.00 0.00 C ATOM 900 OD1 ASP A 61 6.434 -3.245 18.121 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.643 -1.970 18.121 1.00 0.00 O ATOM 0 H ASP A 61 5.555 -1.331 15.515 1.00 0.00 H new ATOM 0 HA ASP A 61 6.820 -3.803 15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.904 -3.128 16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.711 -4.607 16.547 1.00 0.00 H new ATOM 906 N ASP A 62 4.749 -3.405 13.035 1.00 0.00 N ATOM 907 CA ASP A 62 4.207 -3.996 11.815 1.00 0.00 C ATOM 908 C ASP A 62 5.293 -4.523 10.879 1.00 0.00 C ATOM 909 O ASP A 62 4.982 -4.981 9.782 1.00 0.00 O ATOM 910 CB ASP A 62 3.377 -2.963 11.057 1.00 0.00 C ATOM 911 CG ASP A 62 2.260 -2.379 11.900 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.100 -2.816 13.059 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.549 -1.479 11.403 1.00 0.00 O ATOM 0 H ASP A 62 4.625 -2.395 13.101 1.00 0.00 H new ATOM 0 HA ASP A 62 3.591 -4.839 12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.029 -2.158 10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.951 -3.427 10.167 1.00 0.00 H new ATOM 918 N PHE A 63 6.561 -4.448 11.287 1.00 0.00 N ATOM 919 CA PHE A 63 7.651 -4.914 10.431 1.00 0.00 C ATOM 920 C PHE A 63 7.289 -6.219 9.724 1.00 0.00 C ATOM 921 O PHE A 63 7.157 -6.242 8.505 1.00 0.00 O ATOM 922 CB PHE A 63 8.941 -5.094 11.236 1.00 0.00 C ATOM 923 CG PHE A 63 9.964 -4.027 10.976 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.629 -2.689 11.108 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.254 -4.357 10.600 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.562 -1.701 10.868 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.193 -3.373 10.359 1.00 0.00 C ATOM 928 CZ PHE A 63 11.867 -2.060 10.496 1.00 0.00 C ATOM 0 H PHE A 63 6.855 -4.075 12.190 1.00 0.00 H new ATOM 0 HA PHE A 63 7.815 -4.149 9.672 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.698 -5.102 12.299 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.374 -6.066 11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.626 -2.416 11.402 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.530 -5.396 10.494 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.290 -0.660 10.966 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.193 -3.649 10.060 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.610 -1.296 10.319 1.00 0.00 H new ATOM 938 N PRO A 64 7.101 -7.315 10.478 1.00 0.00 N ATOM 939 CA PRO A 64 6.737 -8.610 9.899 1.00 0.00 C ATOM 940 C PRO A 64 5.301 -8.629 9.383 1.00 0.00 C ATOM 941 O PRO A 64 4.405 -9.181 10.022 1.00 0.00 O ATOM 942 CB PRO A 64 6.908 -9.580 11.067 1.00 0.00 C ATOM 943 CG PRO A 64 6.688 -8.748 12.282 1.00 0.00 C ATOM 944 CD PRO A 64 7.212 -7.377 11.948 1.00 0.00 C ATOM 0 HA PRO A 64 7.349 -8.860 9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.190 -10.398 11.011 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.902 -10.028 11.068 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.630 -8.709 12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.211 -9.167 13.141 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.624 -6.595 12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.243 -7.250 12.278 1.00 0.00 H new ATOM 952 N PHE A 65 5.093 -8.015 8.224 1.00 0.00 N ATOM 953 CA PHE A 65 3.770 -7.950 7.612 1.00 0.00 C ATOM 954 C PHE A 65 3.402 -9.275 6.952 1.00 0.00 C ATOM 955 O PHE A 65 4.250 -9.942 6.361 1.00 0.00 O ATOM 956 CB PHE A 65 3.728 -6.846 6.557 1.00 0.00 C ATOM 957 CG PHE A 65 2.836 -5.691 6.911 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.483 -5.708 6.613 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.358 -4.589 7.557 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.675 -4.639 6.955 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.561 -3.521 7.901 1.00 0.00 C ATOM 962 CZ PHE A 65 1.157 -3.568 7.534 1.00 0.00 C ATOM 0 H PHE A 65 5.827 -7.553 7.687 1.00 0.00 H new ATOM 0 HA PHE A 65 3.052 -7.736 8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.740 -6.473 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.392 -7.274 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.056 -6.563 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.411 -4.564 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.382 -4.689 6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.969 -2.672 8.429 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.514 -2.724 7.737 1.00 0.00 H new ATOM 972 N LYS A 66 2.126 -9.637 7.043 1.00 0.00 N ATOM 973 CA LYS A 66 1.636 -10.870 6.436 1.00 0.00 C ATOM 974 C LYS A 66 1.676 -10.782 4.910 1.00 0.00 C ATOM 975 O LYS A 66 0.640 -10.740 4.235 1.00 0.00 O ATOM 976 CB LYS A 66 0.223 -11.196 6.921 1.00 0.00 C ATOM 977 CG LYS A 66 0.186 -11.854 8.292 1.00 0.00 C ATOM 978 CD LYS A 66 0.776 -10.957 9.369 1.00 0.00 C ATOM 979 CE LYS A 66 -0.056 -9.700 9.565 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.442 -10.016 10.005 1.00 0.00 N ATOM 0 H LYS A 66 1.413 -9.095 7.531 1.00 0.00 H new ATOM 0 HA LYS A 66 2.296 -11.680 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.362 -10.277 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.257 -11.855 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.844 -12.100 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.739 -12.793 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.835 -11.506 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.795 -10.681 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.423 -9.059 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.090 -9.138 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.890 -9.158 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.993 -10.364 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.413 -10.747 10.744 1.00 0.00 H new ATOM 994 N SER A 67 2.888 -10.759 4.376 1.00 0.00 N ATOM 995 CA SER A 67 3.102 -10.692 2.940 1.00 0.00 C ATOM 996 C SER A 67 2.464 -9.452 2.317 1.00 0.00 C ATOM 997 O SER A 67 1.584 -8.817 2.904 1.00 0.00 O ATOM 998 CB SER A 67 2.570 -11.957 2.269 1.00 0.00 C ATOM 999 OG SER A 67 3.133 -13.119 2.854 1.00 0.00 O ATOM 0 H SER A 67 3.748 -10.786 4.925 1.00 0.00 H new ATOM 0 HA SER A 67 4.177 -10.619 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.484 -11.991 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.802 -11.933 1.204 1.00 0.00 H new ATOM 0 HG SER A 67 2.776 -13.915 2.409 1.00 0.00 H new ATOM 1005 N ALA A 68 2.932 -9.115 1.118 1.00 0.00 N ATOM 1006 CA ALA A 68 2.443 -7.956 0.378 1.00 0.00 C ATOM 1007 C ALA A 68 0.925 -7.955 0.265 1.00 0.00 C ATOM 1008 O ALA A 68 0.301 -6.896 0.210 1.00 0.00 O ATOM 1009 CB ALA A 68 3.078 -7.925 -1.003 1.00 0.00 C ATOM 0 H ALA A 68 3.661 -9.638 0.632 1.00 0.00 H new ATOM 0 HA ALA A 68 2.727 -7.060 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.711 -7.058 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.161 -7.859 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.818 -8.835 -1.544 1.00 0.00 H new ATOM 1015 N GLU A 69 0.334 -9.140 0.226 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.112 -9.256 0.114 1.00 0.00 C ATOM 1017 C GLU A 69 -1.820 -8.552 1.270 1.00 0.00 C ATOM 1018 O GLU A 69 -2.783 -7.813 1.053 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.527 -10.726 0.062 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.107 -11.513 1.280 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.424 -12.992 1.159 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.617 -13.332 1.007 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.482 -13.808 1.218 1.00 0.00 O ATOM 0 H GLU A 69 0.830 -10.030 0.270 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.412 -8.768 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.610 -10.786 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.094 -11.187 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.036 -11.387 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.608 -11.109 2.159 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.355 -8.777 2.503 1.00 0.00 N ATOM 1031 CA GLU A 70 -1.984 -8.149 3.653 1.00 0.00 C ATOM 1032 C GLU A 70 -1.691 -6.651 3.678 1.00 0.00 C ATOM 1033 O GLU A 70 -2.553 -5.846 4.032 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.554 -8.847 4.950 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.485 -8.118 5.736 1.00 0.00 C ATOM 1036 CD GLU A 70 -1.075 -7.143 6.738 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.894 -6.293 6.330 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.725 -7.233 7.928 1.00 0.00 O ATOM 0 H GLU A 70 -0.561 -9.378 2.721 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.065 -8.262 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.430 -8.974 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.190 -9.845 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.136 -8.844 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.166 -7.579 5.048 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.478 -6.285 3.289 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.081 -4.881 3.259 1.00 0.00 C ATOM 1047 C VAL A 71 -0.932 -4.094 2.273 1.00 0.00 C ATOM 1048 O VAL A 71 -1.430 -3.018 2.591 1.00 0.00 O ATOM 1049 CB VAL A 71 1.397 -4.727 2.878 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.824 -3.268 2.936 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.256 -5.581 3.789 1.00 0.00 C ATOM 0 H VAL A 71 0.248 -6.937 2.990 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.233 -4.486 4.263 1.00 0.00 H new ATOM 0 HB VAL A 71 1.531 -5.068 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.876 -3.186 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.221 -2.684 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.682 -2.887 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.304 -5.467 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.116 -5.264 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.966 -6.627 3.688 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.095 -4.636 1.073 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.886 -3.977 0.044 1.00 0.00 C ATOM 1063 C ALA A 72 -3.304 -3.701 0.535 1.00 0.00 C ATOM 1064 O ALA A 72 -3.812 -2.588 0.396 1.00 0.00 O ATOM 1065 CB ALA A 72 -1.911 -4.821 -1.218 1.00 0.00 C ATOM 0 H ALA A 72 -0.691 -5.528 0.789 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.420 -3.019 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.506 -4.318 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.893 -4.959 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.352 -5.793 -0.997 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.939 -4.716 1.114 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.296 -4.567 1.628 1.00 0.00 C ATOM 1073 C ASP A 73 -5.334 -3.587 2.799 1.00 0.00 C ATOM 1074 O ASP A 73 -6.201 -2.719 2.866 1.00 0.00 O ATOM 1075 CB ASP A 73 -5.853 -5.925 2.064 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.016 -6.882 0.900 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.007 -7.175 0.226 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.154 -7.341 0.663 1.00 0.00 O ATOM 0 H ASP A 73 -3.538 -5.646 1.238 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.917 -4.168 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.187 -6.368 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.818 -5.780 2.550 1.00 0.00 H new ATOM 1083 N THR A 74 -4.387 -3.734 3.719 1.00 0.00 N ATOM 1084 CA THR A 74 -4.309 -2.864 4.889 1.00 0.00 C ATOM 1085 C THR A 74 -4.129 -1.400 4.491 1.00 0.00 C ATOM 1086 O THR A 74 -4.781 -0.513 5.043 1.00 0.00 O ATOM 1087 CB THR A 74 -3.157 -3.299 5.819 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.466 -4.564 6.410 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.902 -2.275 6.915 1.00 0.00 C ATOM 0 H THR A 74 -3.661 -4.449 3.678 1.00 0.00 H new ATOM 0 HA THR A 74 -5.254 -2.958 5.424 1.00 0.00 H new ATOM 0 HB THR A 74 -2.253 -3.379 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.938 -5.266 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.084 -2.617 7.549 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.637 -1.318 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.802 -2.155 7.517 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.240 -1.153 3.539 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.970 0.202 3.074 1.00 0.00 C ATOM 1099 C ILE A 75 -4.242 0.881 2.565 1.00 0.00 C ATOM 1100 O ILE A 75 -4.563 1.997 2.972 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.895 0.200 1.961 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.531 -0.170 2.548 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.820 1.551 1.256 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.568 -0.269 1.512 1.00 0.00 C ATOM 0 H ILE A 75 -2.692 -1.875 3.072 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.595 0.768 3.927 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.179 -0.546 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.251 0.575 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.615 -1.124 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.055 1.515 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.785 1.779 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.566 2.326 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.506 -0.535 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.310 -1.035 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.681 0.691 1.008 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.958 0.211 1.670 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.183 0.769 1.108 1.00 0.00 C ATOM 1118 C VAL A 76 -7.237 1.052 2.181 1.00 0.00 C ATOM 1119 O VAL A 76 -7.967 2.038 2.092 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.781 -0.154 0.031 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.913 -0.145 -1.216 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.950 -1.569 0.562 1.00 0.00 C ATOM 0 H VAL A 76 -4.714 -0.715 1.319 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.901 1.716 0.649 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.768 0.224 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.349 -0.803 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.854 0.869 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.912 -0.495 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.374 -2.202 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.979 -1.964 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.618 -1.557 1.423 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.323 0.184 3.185 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.306 0.356 4.256 1.00 0.00 C ATOM 1134 C ASN A 77 -8.064 1.636 5.057 1.00 0.00 C ATOM 1135 O ASN A 77 -8.946 2.489 5.159 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.288 -0.850 5.198 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.797 -2.115 4.534 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.002 -3.175 4.590 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -9.900 -2.141 3.988 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.730 -0.640 3.282 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.284 0.436 3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.271 -1.014 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.900 -0.632 6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.479 -1.302 3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.235 -3.002 3.555 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.876 1.756 5.638 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.527 2.920 6.447 1.00 0.00 C ATOM 1148 C LYS A 78 -6.373 4.178 5.601 1.00 0.00 C ATOM 1149 O LYS A 78 -6.754 5.270 6.021 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.229 2.654 7.200 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.339 1.530 8.220 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.041 1.343 8.989 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.189 0.312 10.097 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.568 -1.028 9.566 1.00 0.00 N ATOM 0 H LYS A 78 -6.135 1.059 5.564 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.343 3.087 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.446 2.408 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.920 3.567 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.148 1.749 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.599 0.601 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.253 1.030 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.731 2.296 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.251 0.232 10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.945 0.648 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.405 -1.379 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.786 -0.951 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.778 -1.691 9.701 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.789 4.022 4.423 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.555 5.156 3.533 1.00 0.00 C ATOM 1170 C ALA A 79 -6.856 5.754 3.005 1.00 0.00 C ATOM 1171 O ALA A 79 -6.923 6.953 2.733 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.667 4.735 2.373 1.00 0.00 C ATOM 0 H ALA A 79 -5.468 3.125 4.059 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.054 5.929 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.499 5.588 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.711 4.379 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.154 3.936 1.814 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.890 4.930 2.862 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.158 5.437 2.368 1.00 0.00 C ATOM 1180 C GLY A 80 -9.999 4.380 1.688 1.00 0.00 C ATOM 1181 O GLY A 80 -11.155 4.160 2.049 1.00 0.00 O ATOM 0 H GLY A 80 -7.874 3.933 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.721 5.860 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.968 6.248 1.665 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.417 3.745 0.686 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.103 2.720 -0.083 1.00 0.00 C ATOM 1187 C LEU A 81 -10.400 1.492 0.773 1.00 0.00 C ATOM 1188 O LEU A 81 -9.554 0.576 0.811 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.245 2.347 -1.290 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.767 3.544 -2.115 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.658 3.129 -3.071 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.928 4.157 -2.883 1.00 0.00 C ATOM 1193 OXT LEU A 81 -11.479 1.457 1.399 1.00 0.00 O ATOM 0 H LEU A 81 -8.460 3.924 0.383 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.061 3.112 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.375 1.788 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.817 1.680 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.368 4.294 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.332 3.994 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.816 2.734 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.030 2.360 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.571 5.007 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.354 3.411 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.692 4.492 -2.181 1.00 0.00 H new TER 1205 LEU A 81