USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc=-0.00777! C(o=1.2!,f=-9.3!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 1.04 K(o=1.3,f=-0.83) USER MOD Set 2.2: A 74 TYR OH : rot 34:sc= 0.234 USER MOD Set 3.1: A 40 SER OG : rot 101:sc= 1.17 USER MOD Set 3.2: A 52 ASN : amide:sc= -0.557 K(o=0.62,f=-6!) USER MOD Set 4.1: A 19 THR OG1 : rot -121:sc= 1.26 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.13 K(o=3.4,f=-4.7!) USER MOD Set 5.1: A 1 GLY N :NH3+ -131:sc= 1.37 (180deg=-0.329) USER MOD Set 5.2: A 96 THR OG1 : rot 79:sc= 2.06 USER MOD Single : A 2 SER OG : rot -50:sc= 0.0211 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 1.17 (180deg=-0.436) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= 1.17 USER MOD Single : A 14 CYS SG : rot -170:sc= -0.753 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.831 USER MOD Single : A 18 HIS : no HE2:sc= 0.817 K(o=0.82,f=-4.4!) USER MOD Single : A 26 HIS : no HD1:sc= -0.685 K(o=-0.69,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.03) USER MOD Single : A 33 HIS : no HE2:sc= 0.783 K(o=0.78,f=-2.5!) USER MOD Single : A 39 GLN : amide:sc= 0.099 K(o=0.099,f=-1.8) USER MOD Single : A 46 TYR OH : rot 19:sc= 1.27 USER MOD Single : A 47 SER OG : rot 51:sc= 0.411 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -119:sc= 0.971 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 1.02 (180deg=0.943) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.749 K(o=-0.75,f=-3.5) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -178:sc= -0.28 (180deg=-0.291) USER MOD Single : A 65 SER OG : rot -85:sc= 1.25 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -54:sc= 2.02 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.61 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00792) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00401) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 1.16 (180deg=1.08) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 0.973 (180deg=-0.0868) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 2.11 (180deg=1.65) USER MOD Single : A 102 SER OG : rot -40:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -2.551 3.379 -15.805 1.00 0.00 N ATOM 43 CA GLY A 1 -3.376 4.569 -15.790 1.00 0.00 C ATOM 44 C GLY A 1 -2.531 5.790 -16.149 1.00 0.00 C ATOM 45 O GLY A 1 -1.414 5.658 -16.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.022 2.637 -16.361 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.630 3.601 -16.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.408 3.043 -14.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.197 4.462 -16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.822 4.701 -14.804 1.00 0.00 H new ATOM 46 N SER A 2 -3.031 6.997 -15.883 1.00 0.00 N ATOM 47 CA SER A 2 -2.428 8.204 -16.451 1.00 0.00 C ATOM 48 C SER A 2 -1.377 8.834 -15.523 1.00 0.00 C ATOM 49 O SER A 2 -1.084 10.022 -15.649 1.00 0.00 O ATOM 50 CB SER A 2 -3.536 9.188 -16.854 1.00 0.00 C ATOM 51 OG SER A 2 -3.083 10.052 -17.882 1.00 0.00 O ATOM 0 H SER A 2 -3.841 7.165 -15.286 1.00 0.00 H new ATOM 0 HA SER A 2 -1.875 7.926 -17.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.413 8.638 -17.194 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.843 9.774 -15.988 1.00 0.00 H new ATOM 0 HG SER A 2 -2.221 10.442 -17.626 1.00 0.00 H new ATOM 52 N ALA A 3 -0.804 8.053 -14.595 1.00 0.00 N ATOM 53 CA ALA A 3 0.134 8.476 -13.549 1.00 0.00 C ATOM 54 C ALA A 3 -0.512 9.430 -12.543 1.00 0.00 C ATOM 55 O ALA A 3 -0.575 9.141 -11.351 1.00 0.00 O ATOM 56 CB ALA A 3 1.415 9.080 -14.133 1.00 0.00 C ATOM 0 H ALA A 3 -0.995 7.052 -14.554 1.00 0.00 H new ATOM 0 HA ALA A 3 0.413 7.572 -13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.079 9.379 -13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.915 8.339 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.164 9.953 -14.736 1.00 0.00 H new ATOM 57 N LYS A 4 -0.986 10.581 -13.018 1.00 0.00 N ATOM 58 CA LYS A 4 -1.888 11.440 -12.277 1.00 0.00 C ATOM 59 C LYS A 4 -3.255 10.737 -12.174 1.00 0.00 C ATOM 60 O LYS A 4 -3.368 9.575 -12.553 1.00 0.00 O ATOM 61 CB LYS A 4 -1.955 12.813 -12.963 1.00 0.00 C ATOM 62 CG LYS A 4 -0.541 13.366 -13.216 1.00 0.00 C ATOM 63 CD LYS A 4 -0.584 14.804 -13.746 1.00 0.00 C ATOM 64 CE LYS A 4 0.839 15.272 -14.092 1.00 0.00 C ATOM 65 NZ LYS A 4 0.868 16.657 -14.607 1.00 0.00 N ATOM 0 H LYS A 4 -0.747 10.942 -13.942 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.536 11.617 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.491 12.727 -13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.517 13.509 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.033 13.336 -12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.023 12.729 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.220 14.857 -14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.023 15.464 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.467 15.205 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.268 14.601 -14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.849 16.926 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.292 16.718 -15.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.484 17.303 -13.888 1.00 0.00 H new ATOM 66 N LYS A 5 -4.274 11.401 -11.609 1.00 0.00 N ATOM 67 CA LYS A 5 -5.565 10.825 -11.210 1.00 0.00 C ATOM 68 C LYS A 5 -5.324 9.993 -9.949 1.00 0.00 C ATOM 69 O LYS A 5 -5.857 10.284 -8.878 1.00 0.00 O ATOM 70 CB LYS A 5 -6.241 10.034 -12.361 1.00 0.00 C ATOM 71 CG LYS A 5 -7.697 9.564 -12.151 1.00 0.00 C ATOM 72 CD LYS A 5 -7.847 8.669 -10.913 1.00 0.00 C ATOM 73 CE LYS A 5 -8.940 7.591 -10.957 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.309 8.105 -10.770 1.00 0.00 N ATOM 0 H LYS A 5 -4.217 12.400 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.282 11.614 -10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.215 10.656 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.631 9.154 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.346 10.434 -12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.031 9.019 -13.034 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.892 8.175 -10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.039 9.311 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.886 7.075 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.734 6.850 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.753 7.625 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.274 9.128 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.868 7.925 -11.628 1.00 0.00 H new ATOM 75 N GLY A 6 -4.477 8.975 -10.074 1.00 0.00 N ATOM 76 CA GLY A 6 -4.111 8.075 -8.993 1.00 0.00 C ATOM 77 C GLY A 6 -3.570 8.850 -7.793 1.00 0.00 C ATOM 78 O GLY A 6 -3.840 8.499 -6.646 1.00 0.00 O ATOM 0 H GLY A 6 -4.016 8.750 -10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.981 7.491 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.359 7.368 -9.343 1.00 0.00 H new ATOM 79 N ALA A 7 -2.848 9.941 -8.064 1.00 0.00 N ATOM 80 CA ALA A 7 -2.380 10.871 -7.051 1.00 0.00 C ATOM 81 C ALA A 7 -3.538 11.350 -6.181 1.00 0.00 C ATOM 82 O ALA A 7 -3.457 11.320 -4.956 1.00 0.00 O ATOM 83 CB ALA A 7 -1.690 12.059 -7.731 1.00 0.00 C ATOM 0 H ALA A 7 -2.572 10.201 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.665 10.363 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.338 12.758 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.843 11.701 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.398 12.563 -8.389 1.00 0.00 H new ATOM 84 N THR A 8 -4.620 11.797 -6.813 1.00 0.00 N ATOM 85 CA THR A 8 -5.777 12.340 -6.131 1.00 0.00 C ATOM 86 C THR A 8 -6.417 11.253 -5.266 1.00 0.00 C ATOM 87 O THR A 8 -6.811 11.500 -4.127 1.00 0.00 O ATOM 88 CB THR A 8 -6.737 12.879 -7.199 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.991 13.586 -8.175 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.791 13.808 -6.593 1.00 0.00 C ATOM 0 H THR A 8 -4.713 11.789 -7.829 1.00 0.00 H new ATOM 0 HA THR A 8 -5.504 13.156 -5.462 1.00 0.00 H new ATOM 0 HB THR A 8 -7.256 12.034 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.597 13.932 -8.863 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.453 14.170 -7.380 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.374 13.262 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.298 14.655 -6.115 1.00 0.00 H new ATOM 91 N LEU A 9 -6.504 10.032 -5.795 1.00 0.00 N ATOM 92 CA LEU A 9 -7.065 8.902 -5.092 1.00 0.00 C ATOM 93 C LEU A 9 -6.218 8.584 -3.863 1.00 0.00 C ATOM 94 O LEU A 9 -6.753 8.518 -2.761 1.00 0.00 O ATOM 95 CB LEU A 9 -7.166 7.731 -6.073 1.00 0.00 C ATOM 96 CG LEU A 9 -8.551 7.595 -6.727 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.588 7.065 -5.735 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.041 8.920 -7.318 1.00 0.00 C ATOM 0 H LEU A 9 -6.180 9.808 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.068 9.120 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.415 7.856 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.929 6.806 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.436 6.878 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.555 6.981 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.279 6.084 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.670 7.752 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.023 8.776 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.111 9.667 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.339 9.261 -8.079 1.00 0.00 H new ATOM 99 N PHE A 10 -4.901 8.445 -4.031 1.00 0.00 N ATOM 100 CA PHE A 10 -3.981 8.299 -2.910 1.00 0.00 C ATOM 101 C PHE A 10 -4.267 9.380 -1.867 1.00 0.00 C ATOM 102 O PHE A 10 -4.509 9.090 -0.694 1.00 0.00 O ATOM 103 CB PHE A 10 -2.529 8.373 -3.398 1.00 0.00 C ATOM 104 CG PHE A 10 -1.500 8.224 -2.294 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.051 6.943 -1.924 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.039 9.355 -1.594 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.179 6.795 -0.830 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.189 9.201 -0.485 1.00 0.00 C ATOM 109 CZ PHE A 10 0.226 7.918 -0.092 1.00 0.00 C ATOM 0 H PHE A 10 -4.448 8.431 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.128 7.323 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.366 7.592 -4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.373 9.328 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.375 6.075 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.339 10.343 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.180 5.814 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.145 10.069 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.856 7.796 0.777 1.00 0.00 H new ATOM 110 N LYS A 11 -4.272 10.636 -2.320 1.00 0.00 N ATOM 111 CA LYS A 11 -4.444 11.794 -1.459 1.00 0.00 C ATOM 112 C LYS A 11 -5.781 11.771 -0.712 1.00 0.00 C ATOM 113 O LYS A 11 -5.844 12.231 0.425 1.00 0.00 O ATOM 114 CB LYS A 11 -4.230 13.081 -2.264 1.00 0.00 C ATOM 115 CG LYS A 11 -2.738 13.224 -2.596 1.00 0.00 C ATOM 116 CD LYS A 11 -2.476 14.325 -3.626 1.00 0.00 C ATOM 117 CE LYS A 11 -0.971 14.352 -3.931 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.609 15.405 -4.900 1.00 0.00 N ATOM 0 H LYS A 11 -4.155 10.873 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.683 11.760 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.818 13.053 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.572 13.943 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.184 13.444 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.360 12.275 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.045 14.136 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.803 15.291 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.419 14.510 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.666 13.382 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.416 15.381 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.114 15.242 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.874 16.335 -4.517 1.00 0.00 H new ATOM 119 N THR A 12 -6.838 11.233 -1.324 1.00 0.00 N ATOM 120 CA THR A 12 -8.155 11.165 -0.701 1.00 0.00 C ATOM 121 C THR A 12 -8.447 9.792 -0.079 1.00 0.00 C ATOM 122 O THR A 12 -9.598 9.532 0.276 1.00 0.00 O ATOM 123 CB THR A 12 -9.233 11.584 -1.713 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.175 10.780 -2.873 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.076 13.055 -2.114 1.00 0.00 C ATOM 0 H THR A 12 -6.802 10.834 -2.262 1.00 0.00 H new ATOM 0 HA THR A 12 -8.169 11.868 0.132 1.00 0.00 H new ATOM 0 HB THR A 12 -10.200 11.449 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.390 11.029 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.853 13.322 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.167 13.685 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.096 13.206 -2.568 1.00 0.00 H new ATOM 126 N ARG A 13 -7.462 8.895 0.043 1.00 0.00 N ATOM 127 CA ARG A 13 -7.632 7.629 0.754 1.00 0.00 C ATOM 128 C ARG A 13 -6.366 7.332 1.546 1.00 0.00 C ATOM 129 O ARG A 13 -6.329 7.482 2.763 1.00 0.00 O ATOM 130 CB ARG A 13 -7.958 6.458 -0.202 1.00 0.00 C ATOM 131 CG ARG A 13 -9.393 6.472 -0.751 1.00 0.00 C ATOM 132 CD ARG A 13 -9.501 7.213 -2.089 1.00 0.00 C ATOM 133 NE ARG A 13 -10.870 7.200 -2.625 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.862 8.027 -2.255 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.721 8.844 -1.207 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.009 8.028 -2.944 1.00 0.00 N ATOM 0 H ARG A 13 -6.529 9.028 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.483 7.729 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.261 6.483 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.792 5.518 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.740 5.447 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.053 6.944 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.174 8.245 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.826 6.754 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.085 6.504 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.851 8.846 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.484 9.466 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.125 7.404 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.768 8.652 -2.670 1.00 0.00 H new ATOM 137 N CYS A 14 -5.328 6.883 0.849 1.00 0.00 N ATOM 138 CA CYS A 14 -4.183 6.219 1.444 1.00 0.00 C ATOM 139 C CYS A 14 -3.455 7.202 2.353 1.00 0.00 C ATOM 140 O CYS A 14 -3.111 6.886 3.494 1.00 0.00 O ATOM 141 CB CYS A 14 -3.266 5.716 0.357 1.00 0.00 C ATOM 142 SG CYS A 14 -4.101 4.849 -1.008 1.00 0.00 S ATOM 0 H CYS A 14 -5.261 6.974 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.512 5.366 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.714 6.562 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.534 5.042 0.802 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.213 4.283 -1.770 1.00 0.00 H new ATOM 143 N LEU A 15 -3.265 8.419 1.832 1.00 0.00 N ATOM 144 CA LEU A 15 -2.585 9.524 2.479 1.00 0.00 C ATOM 145 C LEU A 15 -2.971 9.692 3.943 1.00 0.00 C ATOM 146 O LEU A 15 -2.118 10.023 4.762 1.00 0.00 O ATOM 147 CB LEU A 15 -2.904 10.789 1.684 1.00 0.00 C ATOM 148 CG LEU A 15 -2.333 12.061 2.334 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.668 12.969 1.297 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.421 12.861 3.062 1.00 0.00 C ATOM 0 H LEU A 15 -3.602 8.662 0.901 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.514 9.321 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.502 10.690 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.985 10.889 1.588 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.587 11.729 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.276 13.858 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.852 12.432 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.402 13.264 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.980 13.752 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.193 13.155 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.864 12.245 3.844 1.00 0.00 H new ATOM 151 N GLN A 16 -4.248 9.508 4.283 1.00 0.00 N ATOM 152 CA GLN A 16 -4.702 9.657 5.658 1.00 0.00 C ATOM 153 C GLN A 16 -3.796 8.850 6.603 1.00 0.00 C ATOM 154 O GLN A 16 -3.302 9.383 7.597 1.00 0.00 O ATOM 155 CB GLN A 16 -6.206 9.336 5.781 1.00 0.00 C ATOM 156 CG GLN A 16 -6.531 7.842 5.913 1.00 0.00 C ATOM 157 CD GLN A 16 -8.020 7.541 5.774 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.450 6.840 4.863 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.832 8.044 6.700 1.00 0.00 N ATOM 0 H GLN A 16 -4.983 9.256 3.622 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.610 10.697 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.606 9.860 6.649 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.721 9.731 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.981 7.288 5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.183 7.484 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.454 8.624 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.832 7.849 6.661 1.00 0.00 H new ATOM 160 N CYS A 17 -3.525 7.591 6.245 1.00 0.00 N ATOM 161 CA CYS A 17 -2.815 6.631 7.080 1.00 0.00 C ATOM 162 C CYS A 17 -1.336 6.533 6.707 1.00 0.00 C ATOM 163 O CYS A 17 -0.511 6.269 7.583 1.00 0.00 O ATOM 164 CB CYS A 17 -3.455 5.275 6.951 1.00 0.00 C ATOM 165 SG CYS A 17 -5.066 5.226 7.792 1.00 0.00 S ATOM 0 H CYS A 17 -3.803 7.206 5.342 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.878 6.981 8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.584 5.030 5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.797 4.517 7.376 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.589 4.044 7.658 1.00 0.00 H new ATOM 166 N HIS A 18 -1.021 6.709 5.421 1.00 0.00 N ATOM 167 CA HIS A 18 0.290 6.478 4.820 1.00 0.00 C ATOM 168 C HIS A 18 1.004 7.764 4.409 1.00 0.00 C ATOM 169 O HIS A 18 0.491 8.874 4.573 1.00 0.00 O ATOM 170 CB HIS A 18 0.097 5.583 3.593 1.00 0.00 C ATOM 171 CG HIS A 18 -0.155 4.158 3.972 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.831 3.244 4.231 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.347 3.493 3.932 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.257 2.041 4.316 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.067 2.140 4.146 1.00 0.00 N ATOM 0 H HIS A 18 -1.708 7.032 4.740 1.00 0.00 H new ATOM 0 HA HIS A 18 0.923 6.005 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.740 5.954 3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.983 5.639 2.961 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.825 3.446 4.340 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.321 3.929 3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.787 1.118 4.497 1.00 0.00 H new ATOM 176 N THR A 19 2.201 7.572 3.853 1.00 0.00 N ATOM 177 CA THR A 19 3.005 8.561 3.161 1.00 0.00 C ATOM 178 C THR A 19 3.660 7.907 1.933 1.00 0.00 C ATOM 179 O THR A 19 3.910 6.699 1.932 1.00 0.00 O ATOM 180 CB THR A 19 4.056 9.146 4.120 1.00 0.00 C ATOM 181 OG1 THR A 19 4.751 8.124 4.818 1.00 0.00 O ATOM 182 CG2 THR A 19 3.430 10.108 5.131 1.00 0.00 C ATOM 0 H THR A 19 2.658 6.660 3.880 1.00 0.00 H new ATOM 0 HA THR A 19 2.377 9.384 2.819 1.00 0.00 H new ATOM 0 HB THR A 19 4.762 9.698 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.629 8.245 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.206 10.499 5.790 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.954 10.933 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.684 9.578 5.723 1.00 0.00 H new ATOM 183 N VAL A 20 3.889 8.705 0.879 1.00 0.00 N ATOM 184 CA VAL A 20 4.509 8.292 -0.385 1.00 0.00 C ATOM 185 C VAL A 20 5.876 8.968 -0.570 1.00 0.00 C ATOM 186 O VAL A 20 6.762 8.434 -1.233 1.00 0.00 O ATOM 187 CB VAL A 20 3.540 8.570 -1.561 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.991 9.688 -2.514 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.295 7.292 -2.373 1.00 0.00 C ATOM 0 H VAL A 20 3.637 9.693 0.886 1.00 0.00 H new ATOM 0 HA VAL A 20 4.698 7.219 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 20 2.621 8.915 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.252 9.812 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.089 10.621 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.953 9.425 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.612 7.508 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.241 6.929 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.858 6.530 -1.728 1.00 0.00 H new ATOM 190 N GLU A 21 6.048 10.169 -0.015 1.00 0.00 N ATOM 191 CA GLU A 21 7.305 10.893 -0.043 1.00 0.00 C ATOM 192 C GLU A 21 8.316 10.198 0.874 1.00 0.00 C ATOM 193 O GLU A 21 8.013 9.915 2.033 1.00 0.00 O ATOM 194 CB GLU A 21 7.035 12.350 0.354 1.00 0.00 C ATOM 195 CG GLU A 21 6.457 12.512 1.771 1.00 0.00 C ATOM 196 CD GLU A 21 5.651 13.794 1.883 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.285 14.849 2.087 1.00 0.00 O ATOM 198 OE2 GLU A 21 4.415 13.682 1.734 1.00 0.00 O ATOM 0 H GLU A 21 5.303 10.667 0.472 1.00 0.00 H new ATOM 0 HA GLU A 21 7.741 10.896 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.965 12.914 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.342 12.790 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.824 11.657 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.267 12.522 2.500 1.00 0.00 H new ATOM 216 N PRO A 25 6.676 9.937 7.555 1.00 0.00 N ATOM 217 CA PRO A 25 6.797 8.910 8.577 1.00 0.00 C ATOM 218 C PRO A 25 5.778 7.778 8.409 1.00 0.00 C ATOM 219 O PRO A 25 4.804 7.889 7.657 1.00 0.00 O ATOM 220 CB PRO A 25 6.635 9.646 9.913 1.00 0.00 C ATOM 221 CG PRO A 25 5.805 10.877 9.548 1.00 0.00 C ATOM 222 CD PRO A 25 6.297 11.211 8.141 1.00 0.00 C ATOM 0 HA PRO A 25 7.761 8.405 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.129 9.026 10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.600 9.924 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.736 10.663 9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.975 11.700 10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.516 11.696 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.144 11.897 8.173 1.00 0.00 H new ATOM 223 N HIS A 26 6.016 6.695 9.161 1.00 0.00 N ATOM 224 CA HIS A 26 5.110 5.568 9.317 1.00 0.00 C ATOM 225 C HIS A 26 4.050 6.002 10.330 1.00 0.00 C ATOM 226 O HIS A 26 4.249 5.853 11.532 1.00 0.00 O ATOM 227 CB HIS A 26 5.870 4.302 9.778 1.00 0.00 C ATOM 228 CG HIS A 26 7.196 4.077 9.088 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.444 3.236 8.027 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.373 4.709 9.394 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.728 3.407 7.668 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.335 4.293 8.472 1.00 0.00 N ATOM 0 H HIS A 26 6.879 6.584 9.694 1.00 0.00 H new ATOM 0 HA HIS A 26 4.642 5.301 8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.041 4.368 10.852 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.235 3.432 9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.529 5.405 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.207 2.900 6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.306 4.601 8.420 1.00 0.00 H new ATOM 233 N LYS A 27 2.967 6.617 9.851 1.00 0.00 N ATOM 234 CA LYS A 27 1.926 7.176 10.694 1.00 0.00 C ATOM 235 C LYS A 27 1.045 6.044 11.240 1.00 0.00 C ATOM 236 O LYS A 27 1.406 5.392 12.215 1.00 0.00 O ATOM 237 CB LYS A 27 1.120 8.174 9.867 1.00 0.00 C ATOM 238 CG LYS A 27 1.893 9.429 9.458 1.00 0.00 C ATOM 239 CD LYS A 27 0.933 10.401 8.758 1.00 0.00 C ATOM 240 CE LYS A 27 0.170 9.696 7.621 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.546 10.617 6.727 1.00 0.00 N ATOM 0 H LYS A 27 2.793 6.739 8.853 1.00 0.00 H new ATOM 0 HA LYS A 27 2.355 7.699 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.761 7.675 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.241 8.474 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.334 9.902 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.714 9.165 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.224 10.803 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.493 11.246 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.875 9.108 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.545 8.996 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.063 10.071 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.219 11.185 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.136 11.247 6.259 1.00 0.00 H new ATOM 242 N VAL A 28 -0.110 5.793 10.613 1.00 0.00 N ATOM 243 CA VAL A 28 -0.909 4.621 10.922 1.00 0.00 C ATOM 244 C VAL A 28 -0.356 3.468 10.098 1.00 0.00 C ATOM 245 O VAL A 28 -0.134 2.394 10.649 1.00 0.00 O ATOM 246 CB VAL A 28 -2.399 4.882 10.657 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.232 3.604 10.795 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.941 5.884 11.674 1.00 0.00 C ATOM 0 H VAL A 28 -0.505 6.392 9.889 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.845 4.370 11.981 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.477 5.264 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.280 3.830 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.881 2.862 10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.128 3.209 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.998 6.064 11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.820 5.483 12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.392 6.822 11.589 1.00 0.00 H new ATOM 249 N GLY A 29 -0.128 3.695 8.800 1.00 0.00 N ATOM 250 CA GLY A 29 0.498 2.740 7.899 1.00 0.00 C ATOM 251 C GLY A 29 1.936 3.170 7.592 1.00 0.00 C ATOM 252 O GLY A 29 2.276 4.342 7.759 1.00 0.00 O ATOM 0 H GLY A 29 -0.382 4.571 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.495 1.748 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.075 2.672 6.974 1.00 0.00 H new ATOM 253 N PRO A 30 2.799 2.238 7.156 1.00 0.00 N ATOM 254 CA PRO A 30 4.192 2.521 6.859 1.00 0.00 C ATOM 255 C PRO A 30 4.351 3.326 5.573 1.00 0.00 C ATOM 256 O PRO A 30 3.499 3.282 4.692 1.00 0.00 O ATOM 257 CB PRO A 30 4.885 1.164 6.749 1.00 0.00 C ATOM 258 CG PRO A 30 3.752 0.238 6.303 1.00 0.00 C ATOM 259 CD PRO A 30 2.523 0.821 6.998 1.00 0.00 C ATOM 0 HA PRO A 30 4.635 3.134 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.700 1.184 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.312 0.850 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.638 0.237 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.933 -0.793 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.624 0.661 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.356 0.344 7.964 1.00 0.00 H new ATOM 260 N ASN A 31 5.463 4.045 5.449 1.00 0.00 N ATOM 261 CA ASN A 31 5.781 4.779 4.231 1.00 0.00 C ATOM 262 C ASN A 31 5.877 3.817 3.042 1.00 0.00 C ATOM 263 O ASN A 31 6.532 2.783 3.151 1.00 0.00 O ATOM 264 CB ASN A 31 7.104 5.515 4.423 1.00 0.00 C ATOM 265 CG ASN A 31 7.389 6.402 3.221 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.915 5.936 2.215 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.039 7.675 3.312 1.00 0.00 N ATOM 0 H ASN A 31 6.164 4.134 6.185 1.00 0.00 H new ATOM 0 HA ASN A 31 4.990 5.500 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.064 6.119 5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.913 4.796 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.204 8.307 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.604 8.025 4.166 1.00 0.00 H new ATOM 268 N LEU A 32 5.223 4.140 1.920 1.00 0.00 N ATOM 269 CA LEU A 32 5.107 3.242 0.773 1.00 0.00 C ATOM 270 C LEU A 32 6.117 3.565 -0.335 1.00 0.00 C ATOM 271 O LEU A 32 6.026 3.021 -1.435 1.00 0.00 O ATOM 272 CB LEU A 32 3.661 3.291 0.252 1.00 0.00 C ATOM 273 CG LEU A 32 2.629 2.842 1.301 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.228 2.863 0.686 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.916 1.427 1.823 1.00 0.00 C ATOM 0 H LEU A 32 4.758 5.038 1.785 1.00 0.00 H new ATOM 0 HA LEU A 32 5.346 2.230 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.429 4.308 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.576 2.655 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 32 2.694 3.536 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.499 2.545 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.991 3.874 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.195 2.185 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.163 1.152 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.887 0.720 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.903 1.403 2.285 1.00 0.00 H new ATOM 276 N HIS A 33 7.091 4.438 -0.078 1.00 0.00 N ATOM 277 CA HIS A 33 8.076 4.788 -1.084 1.00 0.00 C ATOM 278 C HIS A 33 9.019 3.610 -1.327 1.00 0.00 C ATOM 279 O HIS A 33 9.686 3.151 -0.403 1.00 0.00 O ATOM 280 CB HIS A 33 8.859 6.009 -0.616 1.00 0.00 C ATOM 281 CG HIS A 33 9.618 6.682 -1.724 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.303 7.900 -2.272 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.812 6.277 -2.255 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.315 8.244 -3.086 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.269 7.296 -3.094 1.00 0.00 N ATOM 0 H HIS A 33 7.213 4.911 0.817 1.00 0.00 H new ATOM 0 HA HIS A 33 7.573 5.023 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.170 6.725 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.558 5.708 0.164 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.458 8.443 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.311 5.339 -2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.357 9.159 -3.658 1.00 0.00 H new ATOM 286 N GLY A 34 9.100 3.133 -2.568 1.00 0.00 N ATOM 287 CA GLY A 34 9.974 2.028 -2.925 1.00 0.00 C ATOM 288 C GLY A 34 9.358 0.682 -2.548 1.00 0.00 C ATOM 289 O GLY A 34 10.067 -0.317 -2.491 1.00 0.00 O ATOM 0 H GLY A 34 8.560 3.504 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.172 2.051 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.933 2.144 -2.421 1.00 0.00 H new ATOM 290 N ILE A 35 8.042 0.641 -2.313 1.00 0.00 N ATOM 291 CA ILE A 35 7.320 -0.596 -2.058 1.00 0.00 C ATOM 292 C ILE A 35 7.368 -1.497 -3.301 1.00 0.00 C ATOM 293 O ILE A 35 7.597 -2.698 -3.185 1.00 0.00 O ATOM 294 CB ILE A 35 5.892 -0.265 -1.576 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.130 -1.489 -1.051 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.017 0.364 -2.659 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.351 -1.714 0.439 1.00 0.00 C ATOM 0 H ILE A 35 7.451 1.472 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 35 7.794 -1.165 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 35 6.063 0.448 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.065 -1.360 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.448 -2.375 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.027 0.571 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.471 1.295 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.927 -0.324 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.791 -2.592 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.413 -1.871 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.008 -0.841 0.994 1.00 0.00 H new ATOM 298 N PHE A 36 7.179 -0.928 -4.499 1.00 0.00 N ATOM 299 CA PHE A 36 7.093 -1.710 -5.728 1.00 0.00 C ATOM 300 C PHE A 36 8.426 -2.382 -6.031 1.00 0.00 C ATOM 301 O PHE A 36 9.325 -1.757 -6.587 1.00 0.00 O ATOM 302 CB PHE A 36 6.615 -0.863 -6.916 1.00 0.00 C ATOM 303 CG PHE A 36 5.111 -0.671 -6.937 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.513 0.175 -5.992 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.295 -1.461 -7.773 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.126 0.157 -5.811 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.893 -1.382 -7.671 1.00 0.00 C ATOM 308 CZ PHE A 36 2.309 -0.585 -6.671 1.00 0.00 C ATOM 0 H PHE A 36 7.083 0.078 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 36 6.345 -2.487 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.100 0.112 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.928 -1.340 -7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.125 0.842 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.746 -2.128 -8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.683 0.719 -5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.268 -1.932 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.235 -0.546 -6.567 1.00 0.00 H new ATOM 309 N GLY A 37 8.533 -3.664 -5.676 1.00 0.00 N ATOM 310 CA GLY A 37 9.719 -4.474 -5.901 1.00 0.00 C ATOM 311 C GLY A 37 10.485 -4.730 -4.605 1.00 0.00 C ATOM 312 O GLY A 37 11.408 -5.543 -4.598 1.00 0.00 O ATOM 0 H GLY A 37 7.779 -4.173 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.430 -5.426 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.371 -3.973 -6.616 1.00 0.00 H new ATOM 313 N ARG A 38 10.116 -4.065 -3.504 1.00 0.00 N ATOM 314 CA ARG A 38 10.690 -4.331 -2.200 1.00 0.00 C ATOM 315 C ARG A 38 9.732 -5.251 -1.451 1.00 0.00 C ATOM 316 O ARG A 38 8.563 -4.924 -1.270 1.00 0.00 O ATOM 317 CB ARG A 38 10.929 -3.019 -1.446 1.00 0.00 C ATOM 318 CG ARG A 38 11.568 -3.235 -0.069 1.00 0.00 C ATOM 319 CD ARG A 38 13.057 -3.608 -0.125 1.00 0.00 C ATOM 320 NE ARG A 38 13.459 -4.267 1.130 1.00 0.00 N ATOM 321 CZ ARG A 38 13.554 -5.590 1.353 1.00 0.00 C ATOM 322 NH1 ARG A 38 13.422 -6.465 0.349 1.00 0.00 N ATOM 323 NH2 ARG A 38 13.789 -6.038 2.590 1.00 0.00 N ATOM 0 H ARG A 38 9.410 -3.329 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 38 11.660 -4.819 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.573 -2.374 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.980 -2.497 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.453 -2.325 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.025 -4.023 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.243 -4.272 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.659 -2.713 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 38 13.690 -3.655 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.247 -6.131 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.496 -7.466 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.895 -5.378 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.862 -7.040 2.764 1.00 0.00 H new ATOM 324 N GLN A 39 10.241 -6.404 -1.012 1.00 0.00 N ATOM 325 CA GLN A 39 9.431 -7.374 -0.298 1.00 0.00 C ATOM 326 C GLN A 39 8.835 -6.784 0.982 1.00 0.00 C ATOM 327 O GLN A 39 9.315 -5.788 1.523 1.00 0.00 O ATOM 328 CB GLN A 39 10.211 -8.650 -0.008 1.00 0.00 C ATOM 329 CG GLN A 39 9.532 -9.925 -0.519 1.00 0.00 C ATOM 330 CD GLN A 39 10.442 -11.147 -0.443 1.00 0.00 C ATOM 331 OE1 GLN A 39 11.647 -11.037 -0.226 1.00 0.00 O ATOM 332 NE2 GLN A 39 9.878 -12.336 -0.633 1.00 0.00 N ATOM 0 H GLN A 39 11.214 -6.683 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 39 8.600 -7.638 -0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.199 -8.570 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.360 -8.736 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.631 -10.111 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.217 -9.775 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.876 -12.402 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.447 -13.182 -0.600 1.00 0.00 H new ATOM 333 N SER A 40 7.781 -7.439 1.440 1.00 0.00 N ATOM 334 CA SER A 40 6.887 -6.943 2.477 1.00 0.00 C ATOM 335 C SER A 40 7.537 -7.040 3.858 1.00 0.00 C ATOM 336 O SER A 40 8.522 -7.756 4.034 1.00 0.00 O ATOM 337 CB SER A 40 5.539 -7.677 2.387 1.00 0.00 C ATOM 338 OG SER A 40 5.605 -8.996 2.887 1.00 0.00 O ATOM 0 H SER A 40 7.514 -8.359 1.090 1.00 0.00 H new ATOM 0 HA SER A 40 6.692 -5.882 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.787 -7.118 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.212 -7.702 1.348 1.00 0.00 H new ATOM 0 HG SER A 40 5.229 -9.022 3.792 1.00 0.00 H new ATOM 339 N GLY A 41 6.991 -6.322 4.845 1.00 0.00 N ATOM 340 CA GLY A 41 7.443 -6.454 6.224 1.00 0.00 C ATOM 341 C GLY A 41 8.940 -6.154 6.373 1.00 0.00 C ATOM 342 O GLY A 41 9.670 -6.942 6.967 1.00 0.00 O ATOM 0 H GLY A 41 6.238 -5.647 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.873 -5.775 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.240 -7.465 6.576 1.00 0.00 H new ATOM 370 N TYR A 46 8.957 0.274 13.071 1.00 0.00 N ATOM 371 CA TYR A 46 7.525 0.516 12.991 1.00 0.00 C ATOM 372 C TYR A 46 6.722 -0.725 13.431 1.00 0.00 C ATOM 373 O TYR A 46 7.194 -1.860 13.347 1.00 0.00 O ATOM 374 CB TYR A 46 7.189 0.979 11.569 1.00 0.00 C ATOM 375 CG TYR A 46 5.721 0.905 11.216 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.808 1.857 11.709 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.253 -0.206 10.495 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.432 1.712 11.456 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.893 -0.311 10.198 1.00 0.00 C ATOM 380 CZ TYR A 46 2.976 0.607 10.721 1.00 0.00 C ATOM 381 OH TYR A 46 1.653 0.422 10.470 1.00 0.00 O ATOM 0 HA TYR A 46 7.236 1.306 13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.528 2.008 11.446 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.751 0.371 10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.165 2.700 12.282 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.941 -0.974 10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.731 2.446 11.825 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.545 -1.109 9.558 1.00 0.00 H new ATOM 0 HH TYR A 46 1.175 1.269 10.593 1.00 0.00 H new ATOM 382 N SER A 47 5.494 -0.503 13.913 1.00 0.00 N ATOM 383 CA SER A 47 4.616 -1.523 14.465 1.00 0.00 C ATOM 384 C SER A 47 4.076 -2.443 13.367 1.00 0.00 C ATOM 385 O SER A 47 2.929 -2.290 12.945 1.00 0.00 O ATOM 386 CB SER A 47 3.476 -0.811 15.199 1.00 0.00 C ATOM 387 OG SER A 47 2.868 0.113 14.315 1.00 0.00 O ATOM 0 H SER A 47 5.076 0.427 13.927 1.00 0.00 H new ATOM 0 HA SER A 47 5.170 -2.157 15.158 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.742 -1.537 15.549 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.859 -0.295 16.079 1.00 0.00 H new ATOM 0 HG SER A 47 2.640 -0.339 13.476 1.00 0.00 H new ATOM 388 N TYR A 48 4.908 -3.376 12.912 1.00 0.00 N ATOM 389 CA TYR A 48 4.595 -4.374 11.909 1.00 0.00 C ATOM 390 C TYR A 48 4.012 -5.651 12.523 1.00 0.00 C ATOM 391 O TYR A 48 3.687 -5.678 13.709 1.00 0.00 O ATOM 392 CB TYR A 48 5.916 -4.689 11.212 1.00 0.00 C ATOM 393 CG TYR A 48 6.251 -3.859 10.004 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.296 -3.576 9.001 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.611 -3.782 9.698 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.712 -3.170 7.722 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.996 -3.625 8.371 1.00 0.00 C ATOM 398 CZ TYR A 48 7.075 -3.214 7.395 1.00 0.00 C ATOM 399 OH TYR A 48 7.495 -3.038 6.107 1.00 0.00 O ATOM 0 H TYR A 48 5.866 -3.455 13.254 1.00 0.00 H new ATOM 0 HA TYR A 48 3.838 -3.995 11.222 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.721 -4.575 11.938 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.903 -5.737 10.913 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.243 -3.672 9.219 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.353 -3.843 10.480 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.989 -2.827 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.019 -3.822 8.087 1.00 0.00 H new ATOM 0 HH TYR A 48 8.472 -3.100 6.070 1.00 0.00 H new ATOM 400 N THR A 49 3.908 -6.719 11.716 1.00 0.00 N ATOM 401 CA THR A 49 3.428 -8.021 12.152 1.00 0.00 C ATOM 402 C THR A 49 4.312 -9.148 11.615 1.00 0.00 C ATOM 403 O THR A 49 4.812 -9.091 10.487 1.00 0.00 O ATOM 404 CB THR A 49 1.968 -8.228 11.722 1.00 0.00 C ATOM 405 OG1 THR A 49 1.849 -8.444 10.332 1.00 0.00 O ATOM 406 CG2 THR A 49 1.100 -7.027 12.070 1.00 0.00 C ATOM 0 H THR A 49 4.161 -6.692 10.728 1.00 0.00 H new ATOM 0 HA THR A 49 3.478 -8.049 13.241 1.00 0.00 H new ATOM 0 HB THR A 49 1.630 -9.110 12.266 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.298 -7.737 9.937 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.075 -7.214 11.749 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.119 -6.864 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.483 -6.142 11.563 1.00 0.00 H new ATOM 407 N ASP A 50 4.449 -10.207 12.422 1.00 0.00 N ATOM 408 CA ASP A 50 5.008 -11.480 11.992 1.00 0.00 C ATOM 409 C ASP A 50 4.290 -11.965 10.739 1.00 0.00 C ATOM 410 O ASP A 50 4.911 -12.398 9.779 1.00 0.00 O ATOM 411 CB ASP A 50 4.826 -12.513 13.099 1.00 0.00 C ATOM 412 CG ASP A 50 5.414 -13.853 12.688 1.00 0.00 C ATOM 413 OD1 ASP A 50 6.567 -13.887 12.204 1.00 0.00 O ATOM 414 OD2 ASP A 50 4.728 -14.886 12.848 1.00 0.00 O ATOM 0 H ASP A 50 4.169 -10.197 13.403 1.00 0.00 H new ATOM 0 HA ASP A 50 6.068 -11.348 11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.309 -12.164 14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.766 -12.629 13.323 1.00 0.00 H new ATOM 415 N ALA A 51 2.961 -11.879 10.769 1.00 0.00 N ATOM 416 CA ALA A 51 2.105 -12.210 9.640 1.00 0.00 C ATOM 417 C ALA A 51 2.590 -11.540 8.349 1.00 0.00 C ATOM 418 O ALA A 51 2.834 -12.239 7.366 1.00 0.00 O ATOM 419 CB ALA A 51 0.656 -11.842 9.953 1.00 0.00 C ATOM 0 H ALA A 51 2.444 -11.572 11.593 1.00 0.00 H new ATOM 0 HA ALA A 51 2.157 -13.286 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.024 -12.094 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.321 -12.396 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.587 -10.773 10.152 1.00 0.00 H new ATOM 420 N ASN A 52 2.743 -10.208 8.332 1.00 0.00 N ATOM 421 CA ASN A 52 3.261 -9.525 7.150 1.00 0.00 C ATOM 422 C ASN A 52 4.623 -10.116 6.759 1.00 0.00 C ATOM 423 O ASN A 52 4.803 -10.550 5.622 1.00 0.00 O ATOM 424 CB ASN A 52 3.298 -8.002 7.375 1.00 0.00 C ATOM 425 CG ASN A 52 3.759 -7.220 6.140 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.357 -7.776 5.224 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.482 -5.921 6.084 1.00 0.00 N ATOM 0 H ASN A 52 2.517 -9.594 9.115 1.00 0.00 H new ATOM 0 HA ASN A 52 2.591 -9.689 6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.304 -7.660 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.966 -7.780 8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.767 -5.373 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.984 -5.472 6.853 1.00 0.00 H new ATOM 428 N ILE A 53 5.563 -10.196 7.708 1.00 0.00 N ATOM 429 CA ILE A 53 6.901 -10.729 7.454 1.00 0.00 C ATOM 430 C ILE A 53 6.845 -12.120 6.801 1.00 0.00 C ATOM 431 O ILE A 53 7.498 -12.355 5.789 1.00 0.00 O ATOM 432 CB ILE A 53 7.731 -10.715 8.754 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.987 -9.258 9.187 1.00 0.00 C ATOM 434 CG2 ILE A 53 9.068 -11.445 8.559 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.541 -9.143 10.609 1.00 0.00 C ATOM 0 H ILE A 53 5.415 -9.893 8.671 1.00 0.00 H new ATOM 0 HA ILE A 53 7.404 -10.083 6.734 1.00 0.00 H new ATOM 0 HB ILE A 53 7.169 -11.234 9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.688 -8.797 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.055 -8.696 9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.635 -11.421 9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.879 -12.480 8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.640 -10.952 7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.700 -8.093 10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.830 -9.576 11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.488 -9.678 10.675 1.00 0.00 H new ATOM 436 N LYS A 54 6.082 -13.058 7.369 1.00 0.00 N ATOM 437 CA LYS A 54 5.961 -14.418 6.857 1.00 0.00 C ATOM 438 C LYS A 54 5.223 -14.455 5.519 1.00 0.00 C ATOM 439 O LYS A 54 5.521 -15.295 4.676 1.00 0.00 O ATOM 440 CB LYS A 54 5.258 -15.326 7.873 1.00 0.00 C ATOM 441 CG LYS A 54 6.150 -15.636 9.083 1.00 0.00 C ATOM 442 CD LYS A 54 5.548 -16.812 9.866 1.00 0.00 C ATOM 443 CE LYS A 54 6.500 -17.357 10.940 1.00 0.00 C ATOM 444 NZ LYS A 54 6.641 -16.433 12.080 1.00 0.00 N ATOM 0 H LYS A 54 5.526 -12.888 8.207 1.00 0.00 H new ATOM 0 HA LYS A 54 6.972 -14.791 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.340 -14.847 8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.970 -16.258 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.159 -15.882 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.230 -14.759 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.619 -16.492 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.293 -17.613 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.130 -18.318 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.480 -17.537 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.306 -16.834 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.003 -15.518 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.714 -16.294 12.531 1.00 0.00 H new ATOM 445 N LYS A 55 4.313 -13.513 5.270 1.00 0.00 N ATOM 446 CA LYS A 55 3.624 -13.344 3.999 1.00 0.00 C ATOM 447 C LYS A 55 4.481 -12.405 3.145 1.00 0.00 C ATOM 448 O LYS A 55 3.996 -11.426 2.585 1.00 0.00 O ATOM 449 CB LYS A 55 2.206 -12.824 4.267 1.00 0.00 C ATOM 450 CG LYS A 55 1.271 -12.847 3.047 1.00 0.00 C ATOM 451 CD LYS A 55 0.794 -14.237 2.600 1.00 0.00 C ATOM 452 CE LYS A 55 -0.231 -14.810 3.591 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.882 -16.031 3.079 1.00 0.00 N ATOM 0 H LYS A 55 4.029 -12.828 5.971 1.00 0.00 H new ATOM 0 HA LYS A 55 3.503 -14.278 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.759 -13.422 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.273 -11.801 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.396 -12.237 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.784 -12.373 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.349 -14.171 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.647 -14.911 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.266 -15.034 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.990 -14.057 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.565 -16.381 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.379 -15.813 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.162 -16.760 2.903 1.00 0.00 H new ATOM 454 N ASN A 56 5.768 -12.750 3.092 1.00 0.00 N ATOM 455 CA ASN A 56 6.893 -12.050 2.483 1.00 0.00 C ATOM 456 C ASN A 56 6.652 -11.739 0.997 1.00 0.00 C ATOM 457 O ASN A 56 7.213 -12.384 0.111 1.00 0.00 O ATOM 458 CB ASN A 56 8.151 -12.917 2.676 1.00 0.00 C ATOM 459 CG ASN A 56 9.439 -12.134 2.463 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.433 -10.915 2.335 1.00 0.00 O ATOM 461 ND2 ASN A 56 10.572 -12.830 2.409 1.00 0.00 N ATOM 0 H ASN A 56 6.078 -13.621 3.522 1.00 0.00 H new ATOM 0 HA ASN A 56 7.021 -11.083 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.148 -13.337 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.120 -13.755 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.459 -12.349 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.553 -13.844 2.518 1.00 0.00 H new ATOM 462 N VAL A 57 5.800 -10.757 0.717 1.00 0.00 N ATOM 463 CA VAL A 57 5.256 -10.468 -0.602 1.00 0.00 C ATOM 464 C VAL A 57 6.095 -9.388 -1.293 1.00 0.00 C ATOM 465 O VAL A 57 6.425 -8.380 -0.686 1.00 0.00 O ATOM 466 CB VAL A 57 3.767 -10.099 -0.431 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.233 -9.119 -1.475 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.923 -11.379 -0.468 1.00 0.00 C ATOM 0 H VAL A 57 5.457 -10.116 1.433 1.00 0.00 H new ATOM 0 HA VAL A 57 5.307 -11.335 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 57 3.691 -9.591 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.180 -8.916 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.798 -8.188 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.340 -9.553 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.870 -11.124 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.067 -11.883 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.231 -12.041 0.341 1.00 0.00 H new ATOM 469 N LEU A 58 6.434 -9.602 -2.568 1.00 0.00 N ATOM 470 CA LEU A 58 7.243 -8.718 -3.417 1.00 0.00 C ATOM 471 C LEU A 58 6.577 -7.346 -3.645 1.00 0.00 C ATOM 472 O LEU A 58 7.236 -6.382 -4.029 1.00 0.00 O ATOM 473 CB LEU A 58 7.515 -9.516 -4.703 1.00 0.00 C ATOM 474 CG LEU A 58 8.461 -8.989 -5.792 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.739 -8.155 -6.850 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.650 -8.242 -5.216 1.00 0.00 C ATOM 0 H LEU A 58 6.136 -10.442 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 58 8.186 -8.448 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.897 -10.490 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.550 -9.688 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 58 8.849 -9.874 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.457 -7.809 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.978 -8.765 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.266 -7.295 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.287 -7.891 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.298 -7.389 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.221 -8.909 -4.570 1.00 0.00 H new ATOM 477 N TRP A 59 5.267 -7.256 -3.395 1.00 0.00 N ATOM 478 CA TRP A 59 4.470 -6.049 -3.559 1.00 0.00 C ATOM 479 C TRP A 59 4.521 -5.552 -4.999 1.00 0.00 C ATOM 480 O TRP A 59 4.744 -4.378 -5.283 1.00 0.00 O ATOM 481 CB TRP A 59 4.816 -4.978 -2.518 1.00 0.00 C ATOM 482 CG TRP A 59 4.313 -5.205 -1.122 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.039 -5.006 -0.001 1.00 0.00 C ATOM 484 CD2 TRP A 59 2.984 -5.621 -0.669 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.247 -5.231 1.107 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.998 -5.688 0.755 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.762 -5.951 -1.300 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.891 -6.103 1.508 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.657 -6.403 -0.561 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.722 -6.491 0.839 1.00 0.00 C ATOM 0 H TRP A 59 4.720 -8.050 -3.062 1.00 0.00 H new ATOM 0 HA TRP A 59 3.428 -6.301 -3.361 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.901 -4.882 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.424 -4.023 -2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.079 -4.716 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.551 -5.077 2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.677 -5.853 -2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.938 -6.123 2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.251 -6.685 -1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.126 -6.857 1.399 1.00 0.00 H new ATOM 491 N ASP A 60 4.249 -6.480 -5.907 1.00 0.00 N ATOM 492 CA ASP A 60 3.999 -6.211 -7.303 1.00 0.00 C ATOM 493 C ASP A 60 2.564 -5.721 -7.517 1.00 0.00 C ATOM 494 O ASP A 60 1.696 -5.809 -6.650 1.00 0.00 O ATOM 495 CB ASP A 60 4.189 -7.517 -8.065 1.00 0.00 C ATOM 496 CG ASP A 60 3.159 -8.502 -7.560 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.454 -9.067 -6.483 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.061 -8.557 -8.155 1.00 0.00 O ATOM 0 H ASP A 60 4.196 -7.472 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 60 4.683 -5.437 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.069 -7.355 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.196 -7.905 -7.912 1.00 0.00 H new ATOM 499 N GLU A 61 2.341 -5.266 -8.746 1.00 0.00 N ATOM 500 CA GLU A 61 1.133 -4.721 -9.311 1.00 0.00 C ATOM 501 C GLU A 61 -0.076 -5.660 -9.184 1.00 0.00 C ATOM 502 O GLU A 61 -1.203 -5.179 -9.060 1.00 0.00 O ATOM 503 CB GLU A 61 1.534 -4.431 -10.766 1.00 0.00 C ATOM 504 CG GLU A 61 0.679 -3.405 -11.482 1.00 0.00 C ATOM 505 CD GLU A 61 1.539 -2.385 -12.219 1.00 0.00 C ATOM 506 OE1 GLU A 61 2.361 -2.810 -13.066 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.473 -1.199 -11.848 1.00 0.00 O ATOM 0 H GLU A 61 3.091 -5.276 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 61 0.786 -3.831 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.569 -4.090 -10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.499 -5.364 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.020 -3.908 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.041 -2.893 -10.761 1.00 0.00 H new ATOM 508 N ASN A 62 0.133 -6.982 -9.228 1.00 0.00 N ATOM 509 CA ASN A 62 -0.945 -7.966 -9.273 1.00 0.00 C ATOM 510 C ASN A 62 -1.360 -8.383 -7.862 1.00 0.00 C ATOM 511 O ASN A 62 -2.539 -8.587 -7.587 1.00 0.00 O ATOM 512 CB ASN A 62 -0.502 -9.177 -10.095 1.00 0.00 C ATOM 513 CG ASN A 62 -1.631 -10.175 -10.271 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.554 -9.948 -11.047 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.554 -11.310 -9.589 1.00 0.00 N ATOM 0 H ASN A 62 1.065 -7.398 -9.233 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.815 -7.517 -9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.153 -8.846 -11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.341 -9.663 -9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.275 -12.023 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.774 -11.470 -8.951 1.00 0.00 H new ATOM 516 N ASN A 63 -0.396 -8.516 -6.952 1.00 0.00 N ATOM 517 CA ASN A 63 -0.703 -8.793 -5.551 1.00 0.00 C ATOM 518 C ASN A 63 -1.272 -7.550 -4.865 1.00 0.00 C ATOM 519 O ASN A 63 -2.255 -7.640 -4.126 1.00 0.00 O ATOM 520 CB ASN A 63 0.538 -9.312 -4.825 1.00 0.00 C ATOM 521 CG ASN A 63 0.859 -10.761 -5.196 1.00 0.00 C ATOM 522 OD1 ASN A 63 -0.024 -11.609 -5.264 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.126 -11.078 -5.422 1.00 0.00 N ATOM 0 H ASN A 63 0.600 -8.437 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.466 -9.571 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.391 -8.679 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.384 -9.240 -3.748 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.377 -12.038 -5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.850 -10.362 -5.362 1.00 0.00 H new ATOM 524 N MET A 64 -0.658 -6.384 -5.107 1.00 0.00 N ATOM 525 CA MET A 64 -1.062 -5.128 -4.486 1.00 0.00 C ATOM 526 C MET A 64 -2.557 -4.862 -4.683 1.00 0.00 C ATOM 527 O MET A 64 -3.226 -4.383 -3.772 1.00 0.00 O ATOM 528 CB MET A 64 -0.227 -3.971 -5.059 1.00 0.00 C ATOM 529 CG MET A 64 -0.419 -2.655 -4.294 1.00 0.00 C ATOM 530 SD MET A 64 0.164 -2.650 -2.579 1.00 0.00 S ATOM 531 CE MET A 64 1.957 -2.775 -2.811 1.00 0.00 C ATOM 0 H MET A 64 0.135 -6.291 -5.742 1.00 0.00 H new ATOM 0 HA MET A 64 -0.881 -5.203 -3.414 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.827 -4.246 -5.038 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.496 -3.819 -6.104 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.097 -1.863 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.480 -2.405 -4.298 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.448 -2.819 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.189 -3.678 -3.375 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.315 -1.903 -3.359 1.00 0.00 H new ATOM 532 N SER A 65 -3.081 -5.154 -5.875 1.00 0.00 N ATOM 533 CA SER A 65 -4.476 -4.946 -6.210 1.00 0.00 C ATOM 534 C SER A 65 -5.391 -5.741 -5.274 1.00 0.00 C ATOM 535 O SER A 65 -6.328 -5.184 -4.699 1.00 0.00 O ATOM 536 CB SER A 65 -4.691 -5.320 -7.686 1.00 0.00 C ATOM 537 OG SER A 65 -3.611 -6.072 -8.196 1.00 0.00 O ATOM 0 H SER A 65 -2.533 -5.547 -6.640 1.00 0.00 H new ATOM 0 HA SER A 65 -4.737 -3.896 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.613 -5.893 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.814 -4.413 -8.277 1.00 0.00 H new ATOM 0 HG SER A 65 -2.905 -5.465 -8.501 1.00 0.00 H new ATOM 538 N GLU A 66 -5.126 -7.043 -5.140 1.00 0.00 N ATOM 539 CA GLU A 66 -5.906 -7.939 -4.293 1.00 0.00 C ATOM 540 C GLU A 66 -5.877 -7.412 -2.851 1.00 0.00 C ATOM 541 O GLU A 66 -6.925 -7.178 -2.235 1.00 0.00 O ATOM 542 CB GLU A 66 -5.350 -9.369 -4.430 1.00 0.00 C ATOM 543 CG GLU A 66 -6.417 -10.462 -4.252 1.00 0.00 C ATOM 544 CD GLU A 66 -7.004 -10.513 -2.850 1.00 0.00 C ATOM 545 OE1 GLU A 66 -6.247 -10.229 -1.903 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.214 -10.805 -2.721 1.00 0.00 O ATOM 0 H GLU A 66 -4.356 -7.506 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.951 -7.972 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.889 -9.479 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.563 -9.517 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.221 -10.294 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.977 -11.431 -4.489 1.00 0.00 H new ATOM 547 N TYR A 67 -4.661 -7.138 -2.362 1.00 0.00 N ATOM 548 CA TYR A 67 -4.446 -6.554 -1.046 1.00 0.00 C ATOM 549 C TYR A 67 -5.315 -5.309 -0.858 1.00 0.00 C ATOM 550 O TYR A 67 -6.164 -5.287 0.026 1.00 0.00 O ATOM 551 CB TYR A 67 -2.959 -6.252 -0.829 1.00 0.00 C ATOM 552 CG TYR A 67 -2.644 -5.634 0.521 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.741 -6.406 1.688 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.356 -4.265 0.629 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.551 -5.827 2.952 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.231 -3.669 1.897 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.311 -4.453 3.061 1.00 0.00 C ATOM 558 OH TYR A 67 -2.471 -3.879 4.284 1.00 0.00 O ATOM 0 H TYR A 67 -3.799 -7.319 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.748 -7.277 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.392 -7.177 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.618 -5.577 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.965 -7.460 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.230 -3.668 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.590 -6.441 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.073 -2.604 1.977 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.273 -2.921 4.224 1.00 0.00 H new ATOM 559 N LEU A 68 -5.146 -4.287 -1.700 1.00 0.00 N ATOM 560 CA LEU A 68 -5.934 -3.058 -1.629 1.00 0.00 C ATOM 561 C LEU A 68 -7.433 -3.332 -1.627 1.00 0.00 C ATOM 562 O LEU A 68 -8.182 -2.658 -0.921 1.00 0.00 O ATOM 563 CB LEU A 68 -5.575 -2.122 -2.785 1.00 0.00 C ATOM 564 CG LEU A 68 -4.721 -0.932 -2.337 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.463 -1.345 -1.572 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.308 -0.153 -3.584 1.00 0.00 C ATOM 0 H LEU A 68 -4.457 -4.290 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.687 -2.576 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.037 -2.684 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.491 -1.754 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.321 -0.330 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.904 -0.455 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.747 -1.900 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.841 -1.975 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.697 0.702 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.733 -0.802 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.199 0.198 -4.105 1.00 0.00 H new ATOM 567 N THR A 69 -7.885 -4.289 -2.435 1.00 0.00 N ATOM 568 CA THR A 69 -9.282 -4.676 -2.447 1.00 0.00 C ATOM 569 C THR A 69 -9.725 -5.294 -1.109 1.00 0.00 C ATOM 570 O THR A 69 -10.887 -5.120 -0.746 1.00 0.00 O ATOM 571 CB THR A 69 -9.563 -5.527 -3.693 1.00 0.00 C ATOM 572 OG1 THR A 69 -9.371 -4.710 -4.841 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.996 -6.066 -3.723 1.00 0.00 C ATOM 0 H THR A 69 -7.298 -4.808 -3.088 1.00 0.00 H new ATOM 0 HA THR A 69 -9.914 -3.792 -2.532 1.00 0.00 H new ATOM 0 HB THR A 69 -8.885 -6.380 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.917 -3.900 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.142 -6.661 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.169 -6.689 -2.845 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.698 -5.232 -3.721 1.00 0.00 H new ATOM 574 N ASN A 70 -8.846 -5.974 -0.355 1.00 0.00 N ATOM 575 CA ASN A 70 -9.200 -6.567 0.942 1.00 0.00 C ATOM 576 C ASN A 70 -7.980 -6.963 1.802 1.00 0.00 C ATOM 577 O ASN A 70 -7.624 -8.140 1.895 1.00 0.00 O ATOM 578 CB ASN A 70 -10.196 -7.725 0.783 1.00 0.00 C ATOM 579 CG ASN A 70 -9.694 -8.983 0.079 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.138 -10.074 0.433 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.851 -8.880 -0.941 1.00 0.00 N ATOM 0 H ASN A 70 -7.875 -6.127 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.699 -5.776 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.545 -8.009 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.062 -7.353 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.559 -9.716 -1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.495 -7.965 -1.218 1.00 0.00 H new ATOM 582 N PRO A 71 -7.358 -5.997 2.500 1.00 0.00 N ATOM 583 CA PRO A 71 -6.022 -6.170 3.059 1.00 0.00 C ATOM 584 C PRO A 71 -5.968 -7.238 4.153 1.00 0.00 C ATOM 585 O PRO A 71 -5.147 -8.153 4.110 1.00 0.00 O ATOM 586 CB PRO A 71 -5.589 -4.780 3.548 1.00 0.00 C ATOM 587 CG PRO A 71 -6.863 -3.937 3.595 1.00 0.00 C ATOM 588 CD PRO A 71 -7.816 -4.620 2.620 1.00 0.00 C ATOM 0 HA PRO A 71 -5.329 -6.547 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.124 -4.840 4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.854 -4.340 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.281 -3.907 4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.667 -2.906 3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.842 -4.582 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.805 -4.121 1.651 1.00 0.00 H new ATOM 601 N LYS A 73 -7.510 -9.842 4.757 1.00 0.00 N ATOM 602 CA LYS A 73 -7.663 -11.237 4.374 1.00 0.00 C ATOM 603 C LYS A 73 -6.391 -11.688 3.671 1.00 0.00 C ATOM 604 O LYS A 73 -5.896 -12.787 3.916 1.00 0.00 O ATOM 605 CB LYS A 73 -8.902 -11.408 3.490 1.00 0.00 C ATOM 606 CG LYS A 73 -9.465 -12.831 3.642 1.00 0.00 C ATOM 607 CD LYS A 73 -10.707 -13.046 2.767 1.00 0.00 C ATOM 608 CE LYS A 73 -10.325 -13.324 1.302 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.131 -12.538 0.350 1.00 0.00 N ATOM 0 HA LYS A 73 -7.813 -11.862 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.661 -10.676 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.644 -11.220 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.698 -13.557 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.720 -13.012 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.288 -13.882 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.345 -12.164 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.269 -13.095 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.453 -14.386 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.189 -13.044 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.088 -12.404 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.685 -11.611 0.200 1.00 0.00 H new ATOM 610 N TYR A 74 -5.865 -10.829 2.796 1.00 0.00 N ATOM 611 CA TYR A 74 -4.651 -11.132 2.057 1.00 0.00 C ATOM 612 C TYR A 74 -3.465 -11.281 3.017 1.00 0.00 C ATOM 613 O TYR A 74 -2.676 -12.219 2.886 1.00 0.00 O ATOM 614 CB TYR A 74 -4.416 -10.057 0.995 1.00 0.00 C ATOM 615 CG TYR A 74 -3.279 -10.380 0.043 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.475 -11.319 -0.986 1.00 0.00 C ATOM 617 CD2 TYR A 74 -2.003 -9.823 0.239 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.402 -11.698 -1.809 1.00 0.00 C ATOM 619 CE2 TYR A 74 -0.939 -10.175 -0.605 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.132 -11.134 -1.612 1.00 0.00 C ATOM 621 OH TYR A 74 -0.066 -11.602 -2.316 1.00 0.00 O ATOM 0 H TYR A 74 -6.267 -9.916 2.585 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.759 -12.086 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.332 -9.920 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.206 -9.109 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.453 -11.749 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.841 -9.121 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.554 -12.424 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.027 -9.709 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.359 -11.877 -3.210 1.00 0.00 H new ATOM 622 N ILE A 75 -3.357 -10.379 4.003 1.00 0.00 N ATOM 623 CA ILE A 75 -2.391 -10.508 5.093 1.00 0.00 C ATOM 624 C ILE A 75 -3.171 -10.935 6.343 1.00 0.00 C ATOM 625 O ILE A 75 -3.868 -10.104 6.922 1.00 0.00 O ATOM 626 CB ILE A 75 -1.620 -9.190 5.333 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.979 -8.613 4.059 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.549 -9.375 6.424 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.019 -9.524 3.347 1.00 0.00 C ATOM 0 H ILE A 75 -3.938 -9.543 4.063 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.637 -11.253 4.840 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.363 -8.466 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.774 -8.358 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.473 -7.683 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.019 -8.435 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.027 -9.677 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.158 -10.144 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.408 -9.017 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.842 -9.760 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.480 -10.445 3.047 1.00 0.00 H new ATOM 630 N PRO A 76 -3.089 -12.200 6.790 1.00 0.00 N ATOM 631 CA PRO A 76 -3.840 -12.677 7.944 1.00 0.00 C ATOM 632 C PRO A 76 -3.172 -12.194 9.237 1.00 0.00 C ATOM 633 O PRO A 76 -2.617 -12.985 9.997 1.00 0.00 O ATOM 634 CB PRO A 76 -3.842 -14.203 7.804 1.00 0.00 C ATOM 635 CG PRO A 76 -2.499 -14.482 7.129 1.00 0.00 C ATOM 636 CD PRO A 76 -2.342 -13.289 6.184 1.00 0.00 C ATOM 0 HA PRO A 76 -4.861 -12.297 7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.919 -14.698 8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.679 -14.553 7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.686 -14.535 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.507 -15.428 6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.292 -13.022 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.728 -13.523 5.192 1.00 0.00 H new ATOM 637 N GLY A 77 -3.218 -10.882 9.479 1.00 0.00 N ATOM 638 CA GLY A 77 -2.589 -10.243 10.623 1.00 0.00 C ATOM 639 C GLY A 77 -2.077 -8.869 10.213 1.00 0.00 C ATOM 640 O GLY A 77 -0.886 -8.693 9.964 1.00 0.00 O ATOM 0 H GLY A 77 -3.705 -10.226 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.304 -10.148 11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.766 -10.856 10.989 1.00 0.00 H new ATOM 641 N THR A 78 -2.986 -7.896 10.140 1.00 0.00 N ATOM 642 CA THR A 78 -2.666 -6.511 9.846 1.00 0.00 C ATOM 643 C THR A 78 -3.653 -5.618 10.592 1.00 0.00 C ATOM 644 O THR A 78 -4.822 -5.966 10.755 1.00 0.00 O ATOM 645 CB THR A 78 -2.665 -6.241 8.329 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.709 -4.855 8.083 1.00 0.00 O ATOM 647 CG2 THR A 78 -3.886 -6.801 7.610 1.00 0.00 C ATOM 0 H THR A 78 -3.982 -8.058 10.287 1.00 0.00 H new ATOM 0 HA THR A 78 -1.656 -6.285 10.188 1.00 0.00 H new ATOM 0 HB THR A 78 -1.758 -6.721 7.961 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.391 -4.674 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.818 -6.574 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.926 -7.881 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.789 -6.349 8.020 1.00 0.00 H new ATOM 648 N LYS A 79 -3.158 -4.460 11.029 1.00 0.00 N ATOM 649 CA LYS A 79 -3.928 -3.384 11.631 1.00 0.00 C ATOM 650 C LYS A 79 -4.653 -2.557 10.552 1.00 0.00 C ATOM 651 O LYS A 79 -5.422 -1.650 10.873 1.00 0.00 O ATOM 652 CB LYS A 79 -2.936 -2.562 12.473 1.00 0.00 C ATOM 653 CG LYS A 79 -3.469 -1.226 12.997 1.00 0.00 C ATOM 654 CD LYS A 79 -2.483 -0.658 14.031 1.00 0.00 C ATOM 655 CE LYS A 79 -2.623 0.859 14.219 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.992 1.261 14.604 1.00 0.00 N ATOM 0 H LYS A 79 -2.164 -4.242 10.968 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.725 -3.758 12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.620 -3.166 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.048 -2.369 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.596 -0.523 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.450 -1.365 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.643 -1.154 14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.464 -0.888 13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.922 1.193 14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.348 1.363 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.019 2.288 14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.654 1.014 13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.268 0.764 15.475 1.00 0.00 H new ATOM 657 N ALA A 80 -4.394 -2.834 9.271 1.00 0.00 N ATOM 658 CA ALA A 80 -4.892 -2.054 8.152 1.00 0.00 C ATOM 659 C ALA A 80 -6.411 -2.181 7.974 1.00 0.00 C ATOM 660 O ALA A 80 -6.899 -3.018 7.214 1.00 0.00 O ATOM 661 CB ALA A 80 -4.139 -2.481 6.896 1.00 0.00 C ATOM 0 H ALA A 80 -3.819 -3.626 8.985 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.712 -0.997 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.499 -1.906 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.073 -2.300 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.307 -3.543 6.715 1.00 0.00 H new ATOM 662 N ALA A 81 -7.169 -1.336 8.678 1.00 0.00 N ATOM 663 CA ALA A 81 -8.622 -1.284 8.621 1.00 0.00 C ATOM 664 C ALA A 81 -9.099 -0.074 7.815 1.00 0.00 C ATOM 665 O ALA A 81 -9.231 1.013 8.371 1.00 0.00 O ATOM 666 CB ALA A 81 -9.168 -1.247 10.053 1.00 0.00 C ATOM 0 H ALA A 81 -6.771 -0.651 9.321 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.999 -2.171 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.257 -1.208 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.850 -2.143 10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.786 -0.364 10.565 1.00 0.00 H new ATOM 667 N PHE A 82 -9.399 -0.254 6.524 1.00 0.00 N ATOM 668 CA PHE A 82 -10.056 0.772 5.722 1.00 0.00 C ATOM 669 C PHE A 82 -10.990 0.119 4.699 1.00 0.00 C ATOM 670 O PHE A 82 -10.997 -1.105 4.545 1.00 0.00 O ATOM 671 CB PHE A 82 -9.019 1.720 5.090 1.00 0.00 C ATOM 672 CG PHE A 82 -8.604 1.387 3.667 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.664 0.370 3.414 1.00 0.00 C ATOM 674 CD2 PHE A 82 -9.205 2.065 2.588 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.388 -0.018 2.090 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.947 1.660 1.270 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.068 0.594 1.022 1.00 0.00 C ATOM 0 H PHE A 82 -9.193 -1.112 6.012 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.679 1.396 6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.423 2.732 5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.128 1.724 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.155 -0.112 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.866 2.898 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.654 -0.786 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.425 2.169 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.914 0.244 0.012 1.00 0.00 H new ATOM 678 N GLY A 83 -11.801 0.937 4.021 1.00 0.00 N ATOM 679 CA GLY A 83 -12.739 0.496 3.001 1.00 0.00 C ATOM 680 C GLY A 83 -12.011 -0.001 1.752 1.00 0.00 C ATOM 681 O GLY A 83 -11.878 0.747 0.785 1.00 0.00 O ATOM 0 H GLY A 83 -11.819 1.945 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.365 -0.302 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.402 1.319 2.734 1.00 0.00 H new ATOM 682 N GLY A 84 -11.562 -1.260 1.796 1.00 0.00 N ATOM 683 CA GLY A 84 -10.927 -1.994 0.705 1.00 0.00 C ATOM 684 C GLY A 84 -11.432 -1.584 -0.686 1.00 0.00 C ATOM 685 O GLY A 84 -12.639 -1.528 -0.935 1.00 0.00 O ATOM 0 H GLY A 84 -11.638 -1.823 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.849 -1.838 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.101 -3.061 0.846 1.00 0.00 H new ATOM 686 N LEU A 85 -10.508 -1.280 -1.603 1.00 0.00 N ATOM 687 CA LEU A 85 -10.822 -0.713 -2.908 1.00 0.00 C ATOM 688 C LEU A 85 -11.493 -1.735 -3.830 1.00 0.00 C ATOM 689 O LEU A 85 -10.853 -2.334 -4.697 1.00 0.00 O ATOM 690 CB LEU A 85 -9.571 -0.091 -3.548 1.00 0.00 C ATOM 691 CG LEU A 85 -9.046 1.182 -2.861 1.00 0.00 C ATOM 692 CD1 LEU A 85 -8.074 1.910 -3.796 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.146 2.163 -2.437 1.00 0.00 C ATOM 0 H LEU A 85 -9.510 -1.425 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.547 0.086 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.776 -0.837 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.794 0.143 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.551 0.846 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.704 2.811 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.235 1.254 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.590 2.183 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.694 3.033 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.708 2.481 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.819 1.673 -1.733 1.00 0.00 H new ATOM 694 N LYS A 86 -12.807 -1.896 -3.657 1.00 0.00 N ATOM 695 CA LYS A 86 -13.652 -2.761 -4.471 1.00 0.00 C ATOM 696 C LYS A 86 -13.957 -2.160 -5.852 1.00 0.00 C ATOM 697 O LYS A 86 -14.119 -2.912 -6.811 1.00 0.00 O ATOM 698 CB LYS A 86 -14.949 -3.096 -3.709 1.00 0.00 C ATOM 699 CG LYS A 86 -15.171 -4.606 -3.541 1.00 0.00 C ATOM 700 CD LYS A 86 -15.385 -5.325 -4.882 1.00 0.00 C ATOM 701 CE LYS A 86 -15.700 -6.810 -4.641 1.00 0.00 C ATOM 702 NZ LYS A 86 -15.839 -7.564 -5.905 1.00 0.00 N ATOM 0 H LYS A 86 -13.324 -1.412 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.099 -3.682 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.918 -2.627 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.798 -2.666 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.311 -5.042 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.037 -4.773 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.203 -4.856 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.493 -5.230 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.907 -7.255 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.622 -6.895 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.051 -8.560 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.613 -7.157 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.951 -7.506 -6.443 1.00 0.00 H new ATOM 703 N LYS A 87 -14.075 -0.827 -5.958 1.00 0.00 N ATOM 704 CA LYS A 87 -14.427 -0.149 -7.210 1.00 0.00 C ATOM 705 C LYS A 87 -13.508 -0.551 -8.364 1.00 0.00 C ATOM 706 O LYS A 87 -13.960 -0.706 -9.496 1.00 0.00 O ATOM 707 CB LYS A 87 -14.427 1.373 -7.045 1.00 0.00 C ATOM 708 CG LYS A 87 -15.835 1.938 -6.810 1.00 0.00 C ATOM 709 CD LYS A 87 -15.821 3.477 -6.859 1.00 0.00 C ATOM 710 CE LYS A 87 -15.512 4.124 -5.504 1.00 0.00 C ATOM 711 NZ LYS A 87 -16.663 4.044 -4.577 1.00 0.00 N ATOM 0 H LYS A 87 -13.928 -0.190 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.438 -0.472 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.785 1.645 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.999 1.832 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.518 1.552 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.209 1.604 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.079 3.804 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.790 3.831 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.650 3.631 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.239 5.169 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.430 4.537 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.493 4.492 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.875 3.047 -4.372 1.00 0.00 H new ATOM 712 N GLU A 88 -12.208 -0.650 -8.089 1.00 0.00 N ATOM 713 CA GLU A 88 -11.189 -1.219 -8.955 1.00 0.00 C ATOM 714 C GLU A 88 -10.672 -0.197 -9.965 1.00 0.00 C ATOM 715 O GLU A 88 -9.477 -0.076 -10.217 1.00 0.00 O ATOM 716 CB GLU A 88 -11.710 -2.470 -9.673 1.00 0.00 C ATOM 717 CG GLU A 88 -10.493 -3.322 -10.000 1.00 0.00 C ATOM 718 CD GLU A 88 -10.735 -4.415 -11.016 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.616 -4.216 -11.889 1.00 0.00 O ATOM 720 OE2 GLU A 88 -9.975 -5.402 -10.892 1.00 0.00 O ATOM 0 H GLU A 88 -11.822 -0.316 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.353 -1.511 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.408 -3.018 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.249 -2.199 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.701 -2.671 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.128 -3.777 -9.079 1.00 0.00 H new ATOM 721 N LYS A 89 -11.593 0.536 -10.567 1.00 0.00 N ATOM 722 CA LYS A 89 -11.265 1.406 -11.688 1.00 0.00 C ATOM 723 C LYS A 89 -10.339 2.522 -11.202 1.00 0.00 C ATOM 724 O LYS A 89 -9.279 2.767 -11.770 1.00 0.00 O ATOM 725 CB LYS A 89 -12.548 1.865 -12.372 1.00 0.00 C ATOM 726 CG LYS A 89 -13.061 0.822 -13.393 1.00 0.00 C ATOM 727 CD LYS A 89 -13.125 -0.605 -12.812 1.00 0.00 C ATOM 728 CE LYS A 89 -13.599 -1.686 -13.788 1.00 0.00 C ATOM 729 NZ LYS A 89 -13.544 -3.035 -13.172 1.00 0.00 N ATOM 0 H LYS A 89 -12.577 0.547 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.706 0.881 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.316 2.045 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.370 2.813 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.054 1.114 -13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.409 0.824 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.134 -0.876 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.791 -0.599 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.620 -1.470 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.977 -1.668 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.656 -3.759 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.627 -3.163 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.310 -3.130 -12.475 1.00 0.00 H new ATOM 730 N ASP A 90 -10.703 3.122 -10.073 1.00 0.00 N ATOM 731 CA ASP A 90 -9.818 3.991 -9.315 1.00 0.00 C ATOM 732 C ASP A 90 -8.499 3.295 -8.963 1.00 0.00 C ATOM 733 O ASP A 90 -7.423 3.858 -9.164 1.00 0.00 O ATOM 734 CB ASP A 90 -10.546 4.433 -8.046 1.00 0.00 C ATOM 735 CG ASP A 90 -11.618 5.489 -8.294 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.340 6.422 -9.086 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.694 5.347 -7.675 1.00 0.00 O ATOM 0 H ASP A 90 -11.629 3.016 -9.658 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.563 4.857 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.007 3.562 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.817 4.826 -7.337 1.00 0.00 H new ATOM 738 N ARG A 91 -8.595 2.076 -8.420 1.00 0.00 N ATOM 739 CA ARG A 91 -7.456 1.222 -8.079 1.00 0.00 C ATOM 740 C ARG A 91 -6.449 1.170 -9.229 1.00 0.00 C ATOM 741 O ARG A 91 -5.262 1.277 -8.976 1.00 0.00 O ATOM 742 CB ARG A 91 -7.924 -0.182 -7.670 1.00 0.00 C ATOM 743 CG ARG A 91 -7.011 -0.933 -6.695 1.00 0.00 C ATOM 744 CD ARG A 91 -7.430 -2.412 -6.592 1.00 0.00 C ATOM 745 NE ARG A 91 -7.245 -3.119 -7.875 1.00 0.00 N ATOM 746 CZ ARG A 91 -7.856 -4.258 -8.257 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.524 -5.007 -7.373 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.806 -4.634 -9.543 1.00 0.00 N ATOM 0 H ARG A 91 -9.493 1.646 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.948 1.659 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.913 -0.098 -7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.034 -0.784 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.976 -0.865 -7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.058 -0.466 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.843 -2.904 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.475 -2.475 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.590 -2.704 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.576 -4.718 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.982 -5.867 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.308 -4.060 -10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.266 -5.494 -9.841 1.00 0.00 H new ATOM 749 N ASN A 92 -6.884 1.018 -10.483 1.00 0.00 N ATOM 750 CA ASN A 92 -5.956 1.024 -11.620 1.00 0.00 C ATOM 751 C ASN A 92 -5.062 2.273 -11.620 1.00 0.00 C ATOM 752 O ASN A 92 -3.831 2.158 -11.626 1.00 0.00 O ATOM 753 CB ASN A 92 -6.696 0.900 -12.960 1.00 0.00 C ATOM 754 CG ASN A 92 -7.315 -0.478 -13.167 1.00 0.00 C ATOM 755 OD1 ASN A 92 -8.528 -0.647 -13.086 1.00 0.00 O ATOM 756 ND2 ASN A 92 -6.490 -1.482 -13.454 1.00 0.00 N ATOM 0 H ASN A 92 -7.864 0.890 -10.737 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.317 0.149 -11.502 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.479 1.656 -13.009 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.002 1.107 -13.774 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.862 -2.418 -13.613 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.486 -1.315 -13.516 1.00 0.00 H new ATOM 757 N ASP A 93 -5.664 3.469 -11.616 1.00 0.00 N ATOM 758 CA ASP A 93 -4.877 4.698 -11.637 1.00 0.00 C ATOM 759 C ASP A 93 -4.050 4.804 -10.356 1.00 0.00 C ATOM 760 O ASP A 93 -2.855 5.078 -10.417 1.00 0.00 O ATOM 761 CB ASP A 93 -5.747 5.943 -11.821 1.00 0.00 C ATOM 762 CG ASP A 93 -5.957 6.378 -13.270 1.00 0.00 C ATOM 763 OD1 ASP A 93 -4.945 6.646 -13.960 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.142 6.503 -13.641 1.00 0.00 O ATOM 0 H ASP A 93 -6.675 3.607 -11.599 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.210 4.650 -12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.721 5.757 -11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.294 6.768 -11.272 1.00 0.00 H new ATOM 765 N LEU A 94 -4.668 4.591 -9.191 1.00 0.00 N ATOM 766 CA LEU A 94 -3.967 4.596 -7.908 1.00 0.00 C ATOM 767 C LEU A 94 -2.723 3.700 -7.944 1.00 0.00 C ATOM 768 O LEU A 94 -1.626 4.179 -7.677 1.00 0.00 O ATOM 769 CB LEU A 94 -4.950 4.250 -6.783 1.00 0.00 C ATOM 770 CG LEU A 94 -4.323 3.975 -5.406 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.275 4.992 -4.946 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.400 4.020 -4.338 1.00 0.00 C ATOM 0 H LEU A 94 -5.669 4.410 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.587 5.596 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.659 5.071 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.521 3.371 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.842 3.005 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.896 4.706 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.452 5.014 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.730 5.981 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.954 3.825 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.867 5.005 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.154 3.262 -4.550 1.00 0.00 H new ATOM 773 N ILE A 95 -2.851 2.421 -8.299 1.00 0.00 N ATOM 774 CA ILE A 95 -1.713 1.520 -8.422 1.00 0.00 C ATOM 775 C ILE A 95 -0.656 2.132 -9.341 1.00 0.00 C ATOM 776 O ILE A 95 0.510 2.191 -8.958 1.00 0.00 O ATOM 777 CB ILE A 95 -2.150 0.118 -8.868 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.061 -0.547 -7.813 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.874 -0.720 -9.045 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.801 -1.743 -8.412 1.00 0.00 C ATOM 0 H ILE A 95 -3.748 1.984 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.258 1.392 -7.440 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.718 0.185 -9.796 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.462 -0.873 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.780 0.180 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.142 -1.728 -9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.237 -0.258 -9.800 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.337 -0.769 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.437 -2.196 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.417 -1.409 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.078 -2.478 -8.765 1.00 0.00 H new ATOM 781 N THR A 96 -1.057 2.622 -10.517 1.00 0.00 N ATOM 782 CA THR A 96 -0.123 3.279 -11.423 1.00 0.00 C ATOM 783 C THR A 96 0.639 4.404 -10.715 1.00 0.00 C ATOM 784 O THR A 96 1.867 4.475 -10.770 1.00 0.00 O ATOM 785 CB THR A 96 -0.859 3.830 -12.648 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.646 2.814 -13.236 1.00 0.00 O ATOM 787 CG2 THR A 96 0.164 4.354 -13.658 1.00 0.00 C ATOM 0 H THR A 96 -2.017 2.575 -10.859 1.00 0.00 H new ATOM 0 HA THR A 96 0.600 2.533 -11.752 1.00 0.00 H new ATOM 0 HB THR A 96 -1.515 4.645 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.475 2.705 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.356 4.747 -14.532 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.754 5.147 -13.200 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.823 3.541 -13.963 1.00 0.00 H new ATOM 788 N TYR A 97 -0.095 5.305 -10.064 1.00 0.00 N ATOM 789 CA TYR A 97 0.497 6.411 -9.342 1.00 0.00 C ATOM 790 C TYR A 97 1.487 5.885 -8.310 1.00 0.00 C ATOM 791 O TYR A 97 2.606 6.378 -8.228 1.00 0.00 O ATOM 792 CB TYR A 97 -0.589 7.242 -8.652 1.00 0.00 C ATOM 793 CG TYR A 97 -0.056 8.197 -7.603 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.627 9.364 -7.992 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.133 7.856 -6.240 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.125 10.244 -7.017 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.403 8.717 -5.267 1.00 0.00 C ATOM 798 CZ TYR A 97 0.985 9.935 -5.654 1.00 0.00 C ATOM 799 OH TYR A 97 1.302 10.867 -4.712 1.00 0.00 O ATOM 0 H TYR A 97 -1.114 5.282 -10.027 1.00 0.00 H new ATOM 0 HA TYR A 97 1.025 7.050 -10.051 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.131 7.812 -9.406 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.307 6.568 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.768 9.583 -9.040 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.605 6.931 -5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.616 11.159 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.367 8.442 -4.223 1.00 0.00 H new ATOM 0 HH TYR A 97 1.148 10.495 -3.819 1.00 0.00 H new ATOM 800 N LEU A 98 1.062 4.910 -7.504 1.00 0.00 N ATOM 801 CA LEU A 98 1.860 4.398 -6.403 1.00 0.00 C ATOM 802 C LEU A 98 3.154 3.812 -6.936 1.00 0.00 C ATOM 803 O LEU A 98 4.239 4.124 -6.449 1.00 0.00 O ATOM 804 CB LEU A 98 1.083 3.331 -5.618 1.00 0.00 C ATOM 805 CG LEU A 98 1.173 3.610 -4.107 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.210 3.998 -3.620 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.646 2.416 -3.289 1.00 0.00 C ATOM 0 H LEU A 98 0.153 4.457 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 98 2.089 5.222 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.039 3.326 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.487 2.342 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 98 1.909 4.402 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.175 4.202 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.545 4.891 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.906 3.181 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.684 2.689 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.953 1.585 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.640 2.117 -3.622 1.00 0.00 H new ATOM 808 N LYS A 99 3.017 2.978 -7.963 1.00 0.00 N ATOM 809 CA LYS A 99 4.127 2.452 -8.715 1.00 0.00 C ATOM 810 C LYS A 99 5.074 3.585 -9.088 1.00 0.00 C ATOM 811 O LYS A 99 6.219 3.569 -8.654 1.00 0.00 O ATOM 812 CB LYS A 99 3.599 1.677 -9.921 1.00 0.00 C ATOM 813 CG LYS A 99 4.755 1.085 -10.726 1.00 0.00 C ATOM 814 CD LYS A 99 4.192 -0.057 -11.570 1.00 0.00 C ATOM 815 CE LYS A 99 5.246 -0.679 -12.485 1.00 0.00 C ATOM 816 NZ LYS A 99 4.779 -1.983 -12.995 1.00 0.00 N ATOM 0 H LYS A 99 2.110 2.649 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 99 4.705 1.748 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.936 0.880 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.008 2.338 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.207 1.845 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.538 0.720 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.786 -0.826 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.364 0.315 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.454 -0.009 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.180 -0.808 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.230 -2.179 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.031 -2.731 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.746 -1.959 -13.116 1.00 0.00 H new ATOM 817 N LYS A 100 4.600 4.594 -9.820 1.00 0.00 N ATOM 818 CA LYS A 100 5.467 5.641 -10.337 1.00 0.00 C ATOM 819 C LYS A 100 6.160 6.355 -9.175 1.00 0.00 C ATOM 820 O LYS A 100 7.370 6.576 -9.171 1.00 0.00 O ATOM 821 CB LYS A 100 4.632 6.615 -11.179 1.00 0.00 C ATOM 822 CG LYS A 100 5.389 7.169 -12.394 1.00 0.00 C ATOM 823 CD LYS A 100 6.560 8.093 -12.011 1.00 0.00 C ATOM 824 CE LYS A 100 7.926 7.385 -12.099 1.00 0.00 C ATOM 825 NZ LYS A 100 8.840 7.782 -11.011 1.00 0.00 N ATOM 0 H LYS A 100 3.616 4.704 -10.066 1.00 0.00 H new ATOM 0 HA LYS A 100 6.240 5.212 -10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.730 6.107 -11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.311 7.445 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.770 6.337 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.693 7.719 -13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.562 8.962 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.410 8.461 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.775 6.306 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.389 7.613 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.666 7.150 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.155 8.761 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.344 7.715 -10.099 1.00 0.00 H new ATOM 826 N ALA A 101 5.364 6.717 -8.175 1.00 0.00 N ATOM 827 CA ALA A 101 5.820 7.334 -6.938 1.00 0.00 C ATOM 828 C ALA A 101 6.908 6.495 -6.253 1.00 0.00 C ATOM 829 O ALA A 101 7.794 7.039 -5.599 1.00 0.00 O ATOM 830 CB ALA A 101 4.614 7.540 -6.020 1.00 0.00 C ATOM 0 H ALA A 101 4.353 6.584 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 101 6.274 8.299 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.941 8.002 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.889 8.188 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.152 6.577 -5.805 1.00 0.00 H new ATOM 831 N SER A 102 6.831 5.173 -6.411 1.00 0.00 N ATOM 832 CA SER A 102 7.737 4.188 -5.845 1.00 0.00 C ATOM 833 C SER A 102 8.844 3.765 -6.829 1.00 0.00 C ATOM 834 O SER A 102 9.494 2.754 -6.558 1.00 0.00 O ATOM 835 CB SER A 102 6.875 2.980 -5.432 1.00 0.00 C ATOM 836 OG SER A 102 7.623 1.946 -4.826 1.00 0.00 O ATOM 0 H SER A 102 6.093 4.743 -6.969 1.00 0.00 H new ATOM 0 HA SER A 102 8.259 4.617 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.101 3.313 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.368 2.585 -6.312 1.00 0.00 H new ATOM 0 HG SER A 102 8.480 1.847 -5.291 1.00 0.00 H new ATOM 837 N GLU A 103 9.042 4.475 -7.946 1.00 0.00 N ATOM 838 CA GLU A 103 9.906 4.060 -9.042 1.00 0.00 C ATOM 839 C GLU A 103 10.861 5.208 -9.395 1.00 0.00 C ATOM 840 O GLU A 103 10.500 6.031 -10.266 1.00 0.00 O ATOM 841 CB GLU A 103 8.975 3.625 -10.184 1.00 0.00 C ATOM 842 CG GLU A 103 9.539 2.752 -11.305 1.00 0.00 C ATOM 843 CD GLU A 103 8.381 2.175 -12.123 1.00 0.00 C ATOM 844 OE1 GLU A 103 7.564 2.992 -12.602 1.00 0.00 O ATOM 845 OE2 GLU A 103 8.291 0.930 -12.217 1.00 0.00 O ATOM 846 OXT GLU A 103 11.930 5.284 -8.754 1.00 0.00 O ATOM 0 H GLU A 103 8.592 5.375 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 103 10.553 3.219 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.136 3.089 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.570 4.528 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.195 3.341 -11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.142 1.946 -10.887 1.00 0.00 H new