USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 ALA N :NH3+ -111:sc= 0.0702 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 54:sc= -0.853 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc=-0.00135 (180deg=-0.00135) USER MOD Single : A 24 TYR OH : rot 180:sc= -1.64! USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.144) USER MOD Single : A 29 MET CE :methyl 145:sc= -0.568 (180deg=-2.71!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -8.03! C(o=-10!,f=-8!) USER MOD Single : A 36 ASN : amide:sc= -12.4! C(o=-12!,f=-18!) USER MOD Single : A 37 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.627 (180deg=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= -0.542 (180deg=-2.62!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.241 USER MOD Single : A 57 THR OG1 : rot -35:sc= 0.255 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.286 K(o=-0.29,f=-4.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 129:sc= 1.47 USER MOD Single : A 67 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 71.292 -12.968 -1.239 1.00 0.00 N ATOM 2 CA ALA A 1 69.871 -13.415 -1.161 1.00 0.00 C ATOM 3 C ALA A 1 68.937 -12.204 -1.133 1.00 0.00 C ATOM 4 O ALA A 1 69.338 -11.107 -0.798 1.00 0.00 O ATOM 5 CB ALA A 1 69.772 -14.198 0.148 1.00 0.00 C ATOM 0 H1 ALA A 1 71.682 -13.213 -2.171 1.00 0.00 H new ATOM 0 H2 ALA A 1 71.340 -11.938 -1.104 1.00 0.00 H new ATOM 0 H3 ALA A 1 71.846 -13.441 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 1 69.581 -14.020 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 1 68.753 -14.562 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 1 70.458 -15.044 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 70.034 -13.547 0.982 1.00 0.00 H new ATOM 13 N LYS A 2 67.694 -12.393 -1.481 1.00 0.00 N ATOM 14 CA LYS A 2 66.737 -11.250 -1.474 1.00 0.00 C ATOM 15 C LYS A 2 66.822 -10.499 -0.142 1.00 0.00 C ATOM 16 O LYS A 2 66.912 -11.094 0.914 1.00 0.00 O ATOM 17 CB LYS A 2 65.357 -11.887 -1.646 1.00 0.00 C ATOM 18 CG LYS A 2 64.383 -10.851 -2.210 1.00 0.00 C ATOM 19 CD LYS A 2 64.795 -10.487 -3.638 1.00 0.00 C ATOM 20 CE LYS A 2 65.409 -9.084 -3.651 1.00 0.00 C ATOM 21 NZ LYS A 2 64.864 -8.433 -4.875 1.00 0.00 N ATOM 0 H LYS A 2 67.300 -13.288 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 2 66.951 -10.526 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 2 65.421 -12.744 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 2 64.994 -12.259 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 2 63.368 -11.249 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 64.380 -9.960 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 2 65.514 -11.214 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 2 63.928 -10.522 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 2 65.138 -8.527 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 2 66.498 -9.130 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 65.241 -7.467 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 65.144 -8.981 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 63.826 -8.396 -4.816 1.00 0.00 H new ATOM 35 N GLN A 3 66.792 -9.195 -0.184 1.00 0.00 N ATOM 36 CA GLN A 3 66.869 -8.405 1.079 1.00 0.00 C ATOM 37 C GLN A 3 65.459 -8.107 1.600 1.00 0.00 C ATOM 38 O GLN A 3 64.495 -8.724 1.193 1.00 0.00 O ATOM 39 CB GLN A 3 67.589 -7.113 0.690 1.00 0.00 C ATOM 40 CG GLN A 3 68.846 -7.451 -0.115 1.00 0.00 C ATOM 41 CD GLN A 3 69.564 -6.160 -0.511 1.00 0.00 C ATOM 42 OE1 GLN A 3 69.921 -5.976 -1.658 1.00 0.00 O ATOM 43 NE2 GLN A 3 69.792 -5.250 0.396 1.00 0.00 N ATOM 0 H GLN A 3 66.718 -8.642 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 3 67.392 -8.937 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 3 66.927 -6.478 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.857 -6.550 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 3 69.510 -8.082 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 3 68.578 -8.018 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 3 69.493 -5.403 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 3 70.269 -4.385 0.142 1.00 0.00 H new ATOM 52 N ASP A 4 65.330 -7.170 2.500 1.00 0.00 N ATOM 53 CA ASP A 4 63.977 -6.843 3.045 1.00 0.00 C ATOM 54 C ASP A 4 63.626 -5.383 2.773 1.00 0.00 C ATOM 55 O ASP A 4 63.927 -4.501 3.551 1.00 0.00 O ATOM 56 CB ASP A 4 64.042 -7.101 4.557 1.00 0.00 C ATOM 57 CG ASP A 4 65.472 -6.906 5.079 1.00 0.00 C ATOM 58 OD1 ASP A 4 66.190 -6.107 4.501 1.00 0.00 O ATOM 59 OD2 ASP A 4 65.822 -7.560 6.047 1.00 0.00 O ATOM 0 H ASP A 4 66.098 -6.618 2.881 1.00 0.00 H new ATOM 0 HA ASP A 4 63.208 -7.454 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.364 -6.423 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.706 -8.115 4.773 1.00 0.00 H new ATOM 64 N TYR A 5 62.984 -5.128 1.670 1.00 0.00 N ATOM 65 CA TYR A 5 62.597 -3.724 1.328 1.00 0.00 C ATOM 66 C TYR A 5 61.894 -3.055 2.514 1.00 0.00 C ATOM 67 O TYR A 5 62.069 -1.881 2.765 1.00 0.00 O ATOM 68 CB TYR A 5 61.661 -3.814 0.124 1.00 0.00 C ATOM 69 CG TYR A 5 60.842 -5.071 0.194 1.00 0.00 C ATOM 70 CD1 TYR A 5 59.811 -5.183 1.125 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.127 -6.123 -0.676 1.00 0.00 C ATOM 72 CE1 TYR A 5 59.052 -6.359 1.186 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.373 -7.300 -0.621 1.00 0.00 C ATOM 74 CZ TYR A 5 59.332 -7.418 0.311 1.00 0.00 C ATOM 75 OH TYR A 5 58.588 -8.578 0.369 1.00 0.00 O ATOM 0 H TYR A 5 62.707 -5.831 0.985 1.00 0.00 H new ATOM 0 HA TYR A 5 63.474 -3.119 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 5 61.004 -2.945 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 5 62.242 -3.801 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.598 -4.365 1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.930 -6.029 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 5 58.252 -6.450 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 5 60.592 -8.115 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 5 58.913 -9.209 -0.307 1.00 0.00 H new ATOM 85 N TYR A 6 61.116 -3.768 3.274 1.00 0.00 N ATOM 86 CA TYR A 6 60.489 -3.090 4.432 1.00 0.00 C ATOM 87 C TYR A 6 61.621 -2.706 5.375 1.00 0.00 C ATOM 88 O TYR A 6 61.591 -1.689 6.035 1.00 0.00 O ATOM 89 CB TYR A 6 59.516 -4.088 5.057 1.00 0.00 C ATOM 90 CG TYR A 6 58.222 -3.987 4.297 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.602 -2.738 4.161 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.643 -5.125 3.724 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.402 -2.626 3.454 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.441 -5.012 3.016 1.00 0.00 C ATOM 95 CZ TYR A 6 55.819 -3.764 2.883 1.00 0.00 C ATOM 96 OH TYR A 6 54.634 -3.655 2.185 1.00 0.00 O ATOM 0 H TYR A 6 60.893 -4.756 3.150 1.00 0.00 H new ATOM 0 HA TYR A 6 59.933 -2.189 4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.916 -5.100 5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.360 -3.864 6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 6 58.052 -1.861 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.122 -6.087 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.925 -1.663 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.992 -5.888 2.572 1.00 0.00 H new ATOM 0 HH TYR A 6 54.726 -2.972 1.488 1.00 0.00 H new ATOM 106 N GLU A 7 62.662 -3.493 5.375 1.00 0.00 N ATOM 107 CA GLU A 7 63.840 -3.168 6.213 1.00 0.00 C ATOM 108 C GLU A 7 64.751 -2.243 5.415 1.00 0.00 C ATOM 109 O GLU A 7 65.545 -1.509 5.969 1.00 0.00 O ATOM 110 CB GLU A 7 64.529 -4.502 6.492 1.00 0.00 C ATOM 111 CG GLU A 7 65.201 -4.450 7.864 1.00 0.00 C ATOM 112 CD GLU A 7 66.699 -4.716 7.709 1.00 0.00 C ATOM 113 OE1 GLU A 7 67.068 -5.365 6.743 1.00 0.00 O ATOM 114 OE2 GLU A 7 67.451 -4.267 8.556 1.00 0.00 O ATOM 0 H GLU A 7 62.743 -4.349 4.827 1.00 0.00 H new ATOM 0 HA GLU A 7 63.579 -2.668 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.801 -5.313 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.270 -4.710 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 7 65.040 -3.475 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.756 -5.192 8.527 1.00 0.00 H new ATOM 121 N ILE A 8 64.620 -2.247 4.107 1.00 0.00 N ATOM 122 CA ILE A 8 65.458 -1.334 3.286 1.00 0.00 C ATOM 123 C ILE A 8 65.384 0.043 3.932 1.00 0.00 C ATOM 124 O ILE A 8 66.365 0.735 4.117 1.00 0.00 O ATOM 125 CB ILE A 8 64.808 -1.313 1.890 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.596 -2.235 0.955 1.00 0.00 C ATOM 127 CG2 ILE A 8 64.792 0.108 1.299 1.00 0.00 C ATOM 128 CD1 ILE A 8 65.031 -2.126 -0.463 1.00 0.00 C ATOM 0 H ILE A 8 63.974 -2.839 3.584 1.00 0.00 H new ATOM 0 HA ILE A 8 66.502 -1.640 3.215 1.00 0.00 H new ATOM 0 HB ILE A 8 63.778 -1.655 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.651 -1.960 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.533 -3.265 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 8 64.327 0.087 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 8 64.224 0.768 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 8 65.814 0.476 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.591 -2.782 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 8 63.982 -2.422 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.117 -1.097 -0.811 1.00 0.00 H new ATOM 140 N LEU A 9 64.188 0.410 4.283 1.00 0.00 N ATOM 141 CA LEU A 9 63.938 1.716 4.938 1.00 0.00 C ATOM 142 C LEU A 9 64.054 1.534 6.445 1.00 0.00 C ATOM 143 O LEU A 9 64.286 2.463 7.193 1.00 0.00 O ATOM 144 CB LEU A 9 62.495 2.042 4.556 1.00 0.00 C ATOM 145 CG LEU A 9 62.377 2.375 3.060 1.00 0.00 C ATOM 146 CD1 LEU A 9 63.644 3.066 2.544 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.116 1.102 2.250 1.00 0.00 C ATOM 0 H LEU A 9 63.352 -0.157 4.139 1.00 0.00 H new ATOM 0 HA LEU A 9 64.635 2.500 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.853 1.194 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.141 2.886 5.148 1.00 0.00 H new ATOM 0 HG LEU A 9 61.537 3.059 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 63.530 3.289 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 9 63.803 3.993 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 9 64.501 2.408 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.035 1.354 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 62.940 0.403 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 61.187 0.641 2.586 1.00 0.00 H new ATOM 159 N GLY A 10 63.856 0.328 6.888 1.00 0.00 N ATOM 160 CA GLY A 10 63.904 0.040 8.339 1.00 0.00 C ATOM 161 C GLY A 10 62.465 -0.078 8.831 1.00 0.00 C ATOM 162 O GLY A 10 62.199 -0.080 10.017 1.00 0.00 O ATOM 0 H GLY A 10 63.661 -0.480 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.451 -0.884 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.427 0.835 8.871 1.00 0.00 H new ATOM 166 N VAL A 11 61.527 -0.170 7.916 1.00 0.00 N ATOM 167 CA VAL A 11 60.098 -0.281 8.331 1.00 0.00 C ATOM 168 C VAL A 11 59.619 -1.724 8.234 1.00 0.00 C ATOM 169 O VAL A 11 60.182 -2.544 7.543 1.00 0.00 O ATOM 170 CB VAL A 11 59.254 0.565 7.359 1.00 0.00 C ATOM 171 CG1 VAL A 11 58.543 1.655 8.141 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.093 1.210 6.250 1.00 0.00 C ATOM 0 H VAL A 11 61.691 -0.173 6.909 1.00 0.00 H new ATOM 0 HA VAL A 11 59.997 0.062 9.361 1.00 0.00 H new ATOM 0 HB VAL A 11 58.541 -0.105 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.943 2.259 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 11 57.895 1.201 8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.280 2.289 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.445 1.793 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.843 1.864 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.589 0.432 5.669 1.00 0.00 H new ATOM 182 N SER A 12 58.552 -2.031 8.896 1.00 0.00 N ATOM 183 CA SER A 12 58.009 -3.403 8.802 1.00 0.00 C ATOM 184 C SER A 12 57.037 -3.465 7.634 1.00 0.00 C ATOM 185 O SER A 12 56.517 -2.456 7.204 1.00 0.00 O ATOM 186 CB SER A 12 57.287 -3.639 10.128 1.00 0.00 C ATOM 187 OG SER A 12 57.895 -2.847 11.140 1.00 0.00 O ATOM 0 H SER A 12 58.031 -1.393 9.498 1.00 0.00 H new ATOM 0 HA SER A 12 58.776 -4.158 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 12 56.232 -3.381 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.334 -4.694 10.398 1.00 0.00 H new ATOM 0 HG SER A 12 57.434 -2.994 11.992 1.00 0.00 H new ATOM 193 N LYS A 13 56.744 -4.631 7.133 1.00 0.00 N ATOM 194 CA LYS A 13 55.756 -4.700 6.025 1.00 0.00 C ATOM 195 C LYS A 13 54.458 -4.066 6.509 1.00 0.00 C ATOM 196 O LYS A 13 53.567 -3.764 5.740 1.00 0.00 O ATOM 197 CB LYS A 13 55.583 -6.183 5.714 1.00 0.00 C ATOM 198 CG LYS A 13 55.387 -6.960 7.017 1.00 0.00 C ATOM 199 CD LYS A 13 56.666 -7.731 7.353 1.00 0.00 C ATOM 200 CE LYS A 13 56.995 -7.554 8.837 1.00 0.00 C ATOM 201 NZ LYS A 13 57.354 -8.917 9.316 1.00 0.00 N ATOM 0 H LYS A 13 57.137 -5.522 7.436 1.00 0.00 H new ATOM 0 HA LYS A 13 56.070 -4.167 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 13 54.725 -6.330 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 13 56.458 -6.558 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.140 -6.274 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 54.550 -7.651 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.537 -8.788 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.492 -7.370 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 13 57.820 -6.856 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.142 -7.155 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.593 -8.878 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.547 -9.558 9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 58.173 -9.269 8.780 1.00 0.00 H new ATOM 215 N THR A 14 54.372 -3.833 7.789 1.00 0.00 N ATOM 216 CA THR A 14 53.174 -3.185 8.364 1.00 0.00 C ATOM 217 C THR A 14 53.388 -1.667 8.327 1.00 0.00 C ATOM 218 O THR A 14 52.501 -0.902 8.642 1.00 0.00 O ATOM 219 CB THR A 14 53.087 -3.685 9.818 1.00 0.00 C ATOM 220 OG1 THR A 14 53.644 -2.704 10.680 1.00 0.00 O ATOM 221 CG2 THR A 14 53.857 -5.006 9.986 1.00 0.00 C ATOM 0 H THR A 14 55.096 -4.070 8.467 1.00 0.00 H new ATOM 0 HA THR A 14 52.259 -3.418 7.820 1.00 0.00 H new ATOM 0 HB THR A 14 52.040 -3.858 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.590 -3.015 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.783 -5.341 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.430 -5.762 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.905 -4.851 9.729 1.00 0.00 H new ATOM 229 N ALA A 15 54.571 -1.229 7.939 1.00 0.00 N ATOM 230 CA ALA A 15 54.855 0.230 7.870 1.00 0.00 C ATOM 231 C ALA A 15 53.838 0.949 6.971 1.00 0.00 C ATOM 232 O ALA A 15 52.645 0.765 7.080 1.00 0.00 O ATOM 233 CB ALA A 15 56.248 0.292 7.259 1.00 0.00 C ATOM 0 H ALA A 15 55.349 -1.831 7.668 1.00 0.00 H new ATOM 0 HA ALA A 15 54.791 0.718 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.557 1.333 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 15 56.951 -0.237 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.234 -0.175 6.274 1.00 0.00 H new ATOM 239 N GLU A 16 54.317 1.778 6.093 1.00 0.00 N ATOM 240 CA GLU A 16 53.436 2.534 5.177 1.00 0.00 C ATOM 241 C GLU A 16 54.330 3.397 4.291 1.00 0.00 C ATOM 242 O GLU A 16 55.483 3.092 4.095 1.00 0.00 O ATOM 243 CB GLU A 16 52.558 3.394 6.085 1.00 0.00 C ATOM 244 CG GLU A 16 51.127 2.859 6.056 1.00 0.00 C ATOM 245 CD GLU A 16 50.216 3.873 5.362 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.738 4.732 4.672 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.012 3.772 5.534 1.00 0.00 O ATOM 0 H GLU A 16 55.312 1.966 5.971 1.00 0.00 H new ATOM 0 HA GLU A 16 52.819 1.907 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.944 3.379 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.577 4.432 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.095 1.905 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.776 2.674 7.071 1.00 0.00 H new ATOM 254 N GLU A 17 53.829 4.465 3.764 1.00 0.00 N ATOM 255 CA GLU A 17 54.692 5.338 2.913 1.00 0.00 C ATOM 256 C GLU A 17 55.365 6.412 3.774 1.00 0.00 C ATOM 257 O GLU A 17 55.947 7.351 3.275 1.00 0.00 O ATOM 258 CB GLU A 17 53.751 5.962 1.882 1.00 0.00 C ATOM 259 CG GLU A 17 52.576 6.631 2.597 1.00 0.00 C ATOM 260 CD GLU A 17 52.027 7.764 1.730 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.757 8.233 0.872 1.00 0.00 O ATOM 262 OE2 GLU A 17 50.886 8.143 1.936 1.00 0.00 O ATOM 0 H GLU A 17 52.865 4.779 3.879 1.00 0.00 H new ATOM 0 HA GLU A 17 55.493 4.781 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.289 6.695 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.385 5.196 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.793 5.899 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.899 7.022 3.562 1.00 0.00 H new ATOM 269 N ARG A 18 55.280 6.275 5.064 1.00 0.00 N ATOM 270 CA ARG A 18 55.909 7.282 5.977 1.00 0.00 C ATOM 271 C ARG A 18 57.367 6.901 6.278 1.00 0.00 C ATOM 272 O ARG A 18 58.240 7.092 5.469 1.00 0.00 O ATOM 273 CB ARG A 18 55.052 7.263 7.251 1.00 0.00 C ATOM 274 CG ARG A 18 54.702 5.816 7.625 1.00 0.00 C ATOM 275 CD ARG A 18 54.351 5.742 9.113 1.00 0.00 C ATOM 276 NE ARG A 18 52.863 5.692 9.156 1.00 0.00 N ATOM 277 CZ ARG A 18 52.187 6.727 9.575 1.00 0.00 C ATOM 278 NH1 ARG A 18 51.844 7.667 8.737 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.851 6.821 10.832 1.00 0.00 N ATOM 0 H ARG A 18 54.801 5.507 5.534 1.00 0.00 H new ATOM 0 HA ARG A 18 55.940 8.277 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.592 7.739 8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.139 7.838 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.862 5.468 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.544 5.159 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.789 4.859 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.733 6.609 9.652 1.00 0.00 H new ATOM 0 HE ARG A 18 52.372 4.849 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 18 52.104 7.593 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.316 8.475 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.117 6.086 11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.323 7.630 11.160 1.00 0.00 H new ATOM 293 N GLU A 19 57.632 6.357 7.433 1.00 0.00 N ATOM 294 CA GLU A 19 59.023 5.949 7.783 1.00 0.00 C ATOM 295 C GLU A 19 59.665 5.290 6.565 1.00 0.00 C ATOM 296 O GLU A 19 60.867 5.309 6.391 1.00 0.00 O ATOM 297 CB GLU A 19 58.932 4.944 8.957 1.00 0.00 C ATOM 298 CG GLU A 19 57.508 4.398 9.152 1.00 0.00 C ATOM 299 CD GLU A 19 57.527 3.265 10.182 1.00 0.00 C ATOM 300 OE1 GLU A 19 58.413 3.265 11.020 1.00 0.00 O ATOM 301 OE2 GLU A 19 56.651 2.416 10.115 1.00 0.00 O ATOM 0 H GLU A 19 56.937 6.175 8.157 1.00 0.00 H new ATOM 0 HA GLU A 19 59.629 6.807 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.615 4.114 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 59.260 5.431 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.845 5.196 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.115 4.033 8.203 1.00 0.00 H new ATOM 308 N ILE A 20 58.857 4.734 5.705 1.00 0.00 N ATOM 309 CA ILE A 20 59.384 4.099 4.476 1.00 0.00 C ATOM 310 C ILE A 20 59.938 5.186 3.550 1.00 0.00 C ATOM 311 O ILE A 20 60.933 5.008 2.878 1.00 0.00 O ATOM 312 CB ILE A 20 58.146 3.404 3.899 1.00 0.00 C ATOM 313 CG1 ILE A 20 58.416 1.907 3.737 1.00 0.00 C ATOM 314 CG2 ILE A 20 57.732 4.016 2.559 1.00 0.00 C ATOM 315 CD1 ILE A 20 57.699 1.141 4.844 1.00 0.00 C ATOM 0 H ILE A 20 57.843 4.695 5.807 1.00 0.00 H new ATOM 0 HA ILE A 20 60.204 3.398 4.630 1.00 0.00 H new ATOM 0 HB ILE A 20 57.322 3.548 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 20 58.069 1.567 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 20 59.488 1.713 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 20 56.851 3.499 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 20 57.501 5.072 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 20 58.549 3.914 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.890 0.074 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.067 1.474 5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.627 1.327 4.779 1.00 0.00 H new ATOM 327 N ARG A 21 59.302 6.320 3.531 1.00 0.00 N ATOM 328 CA ARG A 21 59.795 7.432 2.670 1.00 0.00 C ATOM 329 C ARG A 21 60.826 8.233 3.458 1.00 0.00 C ATOM 330 O ARG A 21 61.738 8.820 2.912 1.00 0.00 O ATOM 331 CB ARG A 21 58.553 8.273 2.340 1.00 0.00 C ATOM 332 CG ARG A 21 58.262 9.273 3.466 1.00 0.00 C ATOM 333 CD ARG A 21 59.156 10.502 3.301 1.00 0.00 C ATOM 334 NE ARG A 21 58.238 11.592 2.864 1.00 0.00 N ATOM 335 CZ ARG A 21 58.256 12.745 3.475 1.00 0.00 C ATOM 336 NH1 ARG A 21 58.203 12.794 4.777 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.325 13.849 2.782 1.00 0.00 N ATOM 0 H ARG A 21 58.463 6.528 4.073 1.00 0.00 H new ATOM 0 HA ARG A 21 60.278 7.092 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 21 58.708 8.808 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 21 57.693 7.619 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.213 9.568 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.441 8.808 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.653 10.757 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.938 10.325 2.562 1.00 0.00 H new ATOM 0 HE ARG A 21 57.596 11.437 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.147 11.931 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 21 58.217 13.695 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 21 58.365 13.810 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 21 58.339 14.751 3.259 1.00 0.00 H new ATOM 351 N LYS A 22 60.674 8.246 4.749 1.00 0.00 N ATOM 352 CA LYS A 22 61.616 8.989 5.619 1.00 0.00 C ATOM 353 C LYS A 22 62.929 8.209 5.786 1.00 0.00 C ATOM 354 O LYS A 22 64.010 8.756 5.692 1.00 0.00 O ATOM 355 CB LYS A 22 60.888 9.091 6.961 1.00 0.00 C ATOM 356 CG LYS A 22 61.890 9.460 8.059 1.00 0.00 C ATOM 357 CD LYS A 22 62.788 10.604 7.578 1.00 0.00 C ATOM 358 CE LYS A 22 62.020 11.924 7.669 1.00 0.00 C ATOM 359 NZ LYS A 22 62.983 12.889 8.269 1.00 0.00 N ATOM 0 H LYS A 22 59.924 7.765 5.245 1.00 0.00 H new ATOM 0 HA LYS A 22 61.881 9.963 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.101 9.843 6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.405 8.143 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.359 9.758 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.497 8.592 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.691 10.653 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.105 10.425 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.689 12.257 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.128 11.820 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.528 13.820 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.275 12.550 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.819 12.973 7.655 1.00 0.00 H new ATOM 373 N ALA A 23 62.832 6.935 6.043 1.00 0.00 N ATOM 374 CA ALA A 23 64.052 6.096 6.234 1.00 0.00 C ATOM 375 C ALA A 23 65.079 6.396 5.147 1.00 0.00 C ATOM 376 O ALA A 23 66.259 6.525 5.407 1.00 0.00 O ATOM 377 CB ALA A 23 63.557 4.658 6.111 1.00 0.00 C ATOM 0 H ALA A 23 61.949 6.431 6.130 1.00 0.00 H new ATOM 0 HA ALA A 23 64.538 6.287 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.395 3.973 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.808 4.464 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.114 4.509 5.126 1.00 0.00 H new ATOM 383 N TYR A 24 64.633 6.521 3.934 1.00 0.00 N ATOM 384 CA TYR A 24 65.567 6.828 2.826 1.00 0.00 C ATOM 385 C TYR A 24 65.933 8.301 2.916 1.00 0.00 C ATOM 386 O TYR A 24 67.071 8.691 2.772 1.00 0.00 O ATOM 387 CB TYR A 24 64.769 6.531 1.557 1.00 0.00 C ATOM 388 CG TYR A 24 65.693 6.566 0.364 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.967 5.993 0.446 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.276 7.182 -0.822 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.824 6.034 -0.659 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.134 7.223 -1.927 1.00 0.00 C ATOM 393 CZ TYR A 24 67.407 6.649 -1.846 1.00 0.00 C ATOM 394 OH TYR A 24 68.253 6.689 -2.936 1.00 0.00 O ATOM 0 H TYR A 24 63.655 6.423 3.661 1.00 0.00 H new ATOM 0 HA TYR A 24 66.492 6.252 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.293 5.553 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.972 7.265 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.288 5.519 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.293 7.625 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.807 5.591 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.813 7.698 -2.842 1.00 0.00 H new ATOM 0 HH TYR A 24 67.809 7.150 -3.678 1.00 0.00 H new ATOM 404 N LYS A 25 64.959 9.111 3.185 1.00 0.00 N ATOM 405 CA LYS A 25 65.197 10.564 3.328 1.00 0.00 C ATOM 406 C LYS A 25 66.359 10.818 4.290 1.00 0.00 C ATOM 407 O LYS A 25 67.126 11.745 4.128 1.00 0.00 O ATOM 408 CB LYS A 25 63.896 11.067 3.932 1.00 0.00 C ATOM 409 CG LYS A 25 63.247 12.077 2.993 1.00 0.00 C ATOM 410 CD LYS A 25 61.857 11.574 2.619 1.00 0.00 C ATOM 411 CE LYS A 25 61.111 12.660 1.841 1.00 0.00 C ATOM 412 NZ LYS A 25 61.697 12.620 0.471 1.00 0.00 N ATOM 0 H LYS A 25 63.989 8.822 3.314 1.00 0.00 H new ATOM 0 HA LYS A 25 65.457 11.054 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.218 10.231 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.089 11.529 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.179 13.052 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.856 12.206 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.937 10.670 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.301 11.309 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.039 12.464 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 25 61.246 13.639 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 62.060 13.562 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.476 11.931 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 60.965 12.339 -0.212 1.00 0.00 H new ATOM 426 N ARG A 26 66.480 10.004 5.302 1.00 0.00 N ATOM 427 CA ARG A 26 67.574 10.194 6.294 1.00 0.00 C ATOM 428 C ARG A 26 68.925 9.757 5.714 1.00 0.00 C ATOM 429 O ARG A 26 69.899 10.482 5.774 1.00 0.00 O ATOM 430 CB ARG A 26 67.189 9.300 7.472 1.00 0.00 C ATOM 431 CG ARG A 26 65.807 9.702 7.987 1.00 0.00 C ATOM 432 CD ARG A 26 65.959 10.745 9.095 1.00 0.00 C ATOM 433 NE ARG A 26 65.752 9.991 10.363 1.00 0.00 N ATOM 434 CZ ARG A 26 65.453 10.631 11.461 1.00 0.00 C ATOM 435 NH1 ARG A 26 64.339 11.305 11.541 1.00 0.00 N ATOM 436 NH2 ARG A 26 66.267 10.593 12.480 1.00 0.00 N ATOM 0 H ARG A 26 65.865 9.211 5.485 1.00 0.00 H new ATOM 0 HA ARG A 26 67.685 11.240 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 67.184 8.255 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.927 9.393 8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.207 10.107 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 65.280 8.827 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 26 66.945 11.209 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.227 11.545 8.987 1.00 0.00 H new ATOM 0 HE ARG A 26 65.844 8.975 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 26 63.701 11.332 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 26 64.106 11.805 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.137 10.063 12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 26 66.034 11.093 13.338 1.00 0.00 H new ATOM 450 N LEU A 27 68.995 8.577 5.162 1.00 0.00 N ATOM 451 CA LEU A 27 70.282 8.095 4.588 1.00 0.00 C ATOM 452 C LEU A 27 70.504 8.716 3.215 1.00 0.00 C ATOM 453 O LEU A 27 71.614 9.011 2.823 1.00 0.00 O ATOM 454 CB LEU A 27 70.134 6.573 4.485 1.00 0.00 C ATOM 455 CG LEU A 27 69.352 6.189 3.228 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.296 6.173 2.025 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.746 4.796 3.417 1.00 0.00 C ATOM 0 H LEU A 27 68.215 7.925 5.084 1.00 0.00 H new ATOM 0 HA LEU A 27 71.140 8.370 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.119 6.108 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.622 6.192 5.368 1.00 0.00 H new ATOM 0 HG LEU A 27 68.557 6.915 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.739 5.899 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.733 7.163 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.090 5.446 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.187 4.518 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.543 4.072 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 27 68.075 4.805 4.276 1.00 0.00 H new ATOM 469 N ALA A 28 69.448 8.908 2.487 1.00 0.00 N ATOM 470 CA ALA A 28 69.566 9.499 1.138 1.00 0.00 C ATOM 471 C ALA A 28 69.989 10.957 1.249 1.00 0.00 C ATOM 472 O ALA A 28 70.844 11.420 0.521 1.00 0.00 O ATOM 473 CB ALA A 28 68.167 9.358 0.551 1.00 0.00 C ATOM 0 H ALA A 28 68.497 8.677 2.775 1.00 0.00 H new ATOM 0 HA ALA A 28 70.316 9.015 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.152 9.772 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.892 8.304 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.455 9.898 1.175 1.00 0.00 H new ATOM 479 N MET A 29 69.428 11.682 2.173 1.00 0.00 N ATOM 480 CA MET A 29 69.852 13.096 2.327 1.00 0.00 C ATOM 481 C MET A 29 71.294 13.100 2.827 1.00 0.00 C ATOM 482 O MET A 29 72.043 14.034 2.614 1.00 0.00 O ATOM 483 CB MET A 29 68.904 13.706 3.361 1.00 0.00 C ATOM 484 CG MET A 29 69.269 13.198 4.756 1.00 0.00 C ATOM 485 SD MET A 29 70.313 14.421 5.588 1.00 0.00 S ATOM 486 CE MET A 29 69.142 15.800 5.529 1.00 0.00 C ATOM 0 H MET A 29 68.706 11.362 2.818 1.00 0.00 H new ATOM 0 HA MET A 29 69.811 13.665 1.398 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.968 14.794 3.331 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.873 13.441 3.125 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.365 13.019 5.338 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.794 12.246 4.682 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.244 16.403 6.431 1.00 0.00 H new ATOM 0 HE2 MET A 29 69.350 16.417 4.655 1.00 0.00 H new ATOM 0 HE3 MET A 29 68.125 15.412 5.466 1.00 0.00 H new ATOM 496 N LYS A 30 71.686 12.039 3.480 1.00 0.00 N ATOM 497 CA LYS A 30 73.081 11.940 3.989 1.00 0.00 C ATOM 498 C LYS A 30 73.978 11.326 2.911 1.00 0.00 C ATOM 499 O LYS A 30 75.188 11.439 2.958 1.00 0.00 O ATOM 500 CB LYS A 30 72.996 11.020 5.207 1.00 0.00 C ATOM 501 CG LYS A 30 73.382 11.802 6.464 1.00 0.00 C ATOM 502 CD LYS A 30 72.336 11.566 7.554 1.00 0.00 C ATOM 503 CE LYS A 30 73.016 11.575 8.925 1.00 0.00 C ATOM 504 NZ LYS A 30 72.431 10.414 9.650 1.00 0.00 N ATOM 0 H LYS A 30 71.095 11.233 3.683 1.00 0.00 H new ATOM 0 HA LYS A 30 73.503 12.911 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.985 10.625 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.661 10.166 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 74.365 11.486 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 73.451 12.866 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.570 12.340 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.835 10.612 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 30 74.097 11.478 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 30 72.825 12.508 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.848 10.353 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.402 10.538 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 72.634 9.539 9.126 1.00 0.00 H new ATOM 518 N TYR A 31 73.394 10.678 1.937 1.00 0.00 N ATOM 519 CA TYR A 31 74.222 10.059 0.859 1.00 0.00 C ATOM 520 C TYR A 31 74.022 10.792 -0.459 1.00 0.00 C ATOM 521 O TYR A 31 74.537 10.403 -1.483 1.00 0.00 O ATOM 522 CB TYR A 31 73.747 8.615 0.754 1.00 0.00 C ATOM 523 CG TYR A 31 74.676 7.733 1.550 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.344 8.254 2.665 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.878 6.401 1.173 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.214 7.448 3.402 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.748 5.591 1.912 1.00 0.00 C ATOM 528 CZ TYR A 31 76.416 6.114 3.027 1.00 0.00 C ATOM 529 OH TYR A 31 77.275 5.316 3.754 1.00 0.00 O ATOM 0 H TYR A 31 72.387 10.551 1.841 1.00 0.00 H new ATOM 0 HA TYR A 31 75.287 10.114 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.728 8.526 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.730 8.299 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 31 75.186 9.282 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 31 74.363 5.998 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 31 76.730 7.853 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.904 4.562 1.623 1.00 0.00 H new ATOM 0 HH TYR A 31 77.300 4.419 3.361 1.00 0.00 H new ATOM 539 N HIS A 32 73.287 11.856 -0.418 1.00 0.00 N ATOM 540 CA HIS A 32 73.039 12.681 -1.630 1.00 0.00 C ATOM 541 C HIS A 32 74.383 13.105 -2.256 1.00 0.00 C ATOM 542 O HIS A 32 75.332 12.357 -2.174 1.00 0.00 O ATOM 543 CB HIS A 32 72.225 13.816 -1.032 1.00 0.00 C ATOM 544 CG HIS A 32 73.101 14.584 -0.078 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.050 14.172 0.830 1.00 0.00 N flip ATOM 546 CD2 HIS A 32 73.056 15.961 0.023 1.00 0.00 C flip ATOM 547 CE1 HIS A 32 74.583 15.279 1.483 1.00 0.00 C flip ATOM 548 NE2 HIS A 32 73.948 16.332 0.960 1.00 0.00 N flip ATOM 0 H HIS A 32 72.833 12.202 0.427 1.00 0.00 H new ATOM 0 HA HIS A 32 72.520 12.199 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 32 71.856 14.473 -1.820 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.352 13.422 -0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 32 72.419 16.621 -0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 32 75.346 15.286 2.248 1.00 0.00 H new ATOM 0 HE2 HIS A 32 74.118 17.299 1.237 1.00 0.00 H new ATOM 556 N PRO A 33 74.468 14.253 -2.884 1.00 0.00 N ATOM 557 CA PRO A 33 75.757 14.631 -3.507 1.00 0.00 C ATOM 558 C PRO A 33 76.823 14.904 -2.439 1.00 0.00 C ATOM 559 O PRO A 33 77.489 15.921 -2.445 1.00 0.00 O ATOM 560 CB PRO A 33 75.420 15.865 -4.333 1.00 0.00 C ATOM 561 CG PRO A 33 74.194 16.427 -3.702 1.00 0.00 C ATOM 562 CD PRO A 33 73.447 15.290 -3.077 1.00 0.00 C ATOM 0 HA PRO A 33 76.184 13.842 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.238 16.586 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 33 75.243 15.605 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.457 17.172 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 33 73.576 16.929 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 33 72.993 15.584 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 33 72.641 14.940 -3.722 1.00 0.00 H new ATOM 570 N ASP A 34 77.003 13.967 -1.546 1.00 0.00 N ATOM 571 CA ASP A 34 78.037 14.102 -0.486 1.00 0.00 C ATOM 572 C ASP A 34 79.152 13.101 -0.804 1.00 0.00 C ATOM 573 O ASP A 34 80.327 13.396 -0.716 1.00 0.00 O ATOM 574 CB ASP A 34 77.303 13.751 0.828 1.00 0.00 C ATOM 575 CG ASP A 34 77.956 12.553 1.533 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.073 12.704 2.002 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.328 11.509 1.589 1.00 0.00 O ATOM 0 H ASP A 34 76.466 13.100 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 34 78.488 15.092 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.311 14.615 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.259 13.524 0.613 1.00 0.00 H new ATOM 582 N ARG A 35 78.762 11.915 -1.180 1.00 0.00 N ATOM 583 CA ARG A 35 79.745 10.859 -1.520 1.00 0.00 C ATOM 584 C ARG A 35 79.233 10.043 -2.715 1.00 0.00 C ATOM 585 O ARG A 35 80.004 9.484 -3.469 1.00 0.00 O ATOM 586 CB ARG A 35 79.813 9.989 -0.268 1.00 0.00 C ATOM 587 CG ARG A 35 78.414 9.457 0.043 1.00 0.00 C ATOM 588 CD ARG A 35 78.121 8.267 -0.864 1.00 0.00 C ATOM 589 NE ARG A 35 77.901 7.118 0.056 1.00 0.00 N ATOM 590 CZ ARG A 35 78.917 6.426 0.497 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.956 7.037 1.000 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.894 5.123 0.443 1.00 0.00 N ATOM 0 H ARG A 35 77.786 11.632 -1.266 1.00 0.00 H new ATOM 0 HA ARG A 35 80.721 11.258 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.505 9.161 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.191 10.569 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.349 9.158 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.671 10.240 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.242 8.450 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.953 8.075 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 35 76.954 6.870 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.974 8.056 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.749 6.495 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.082 4.643 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.688 4.584 0.788 1.00 0.00 H new ATOM 606 N ASN A 36 77.933 9.961 -2.891 1.00 0.00 N ATOM 607 CA ASN A 36 77.384 9.175 -4.027 1.00 0.00 C ATOM 608 C ASN A 36 78.118 9.538 -5.316 1.00 0.00 C ATOM 609 O ASN A 36 78.197 8.753 -6.239 1.00 0.00 O ATOM 610 CB ASN A 36 75.914 9.580 -4.107 1.00 0.00 C ATOM 611 CG ASN A 36 75.080 8.649 -3.230 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.610 7.784 -2.567 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.784 8.799 -3.189 1.00 0.00 N ATOM 0 H ASN A 36 77.236 10.406 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 36 77.501 8.100 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 36 75.792 10.612 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.568 9.531 -5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.218 8.189 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.337 9.527 -3.747 1.00 0.00 H new ATOM 620 N GLN A 37 78.664 10.720 -5.383 1.00 0.00 N ATOM 621 CA GLN A 37 79.401 11.123 -6.610 1.00 0.00 C ATOM 622 C GLN A 37 80.629 10.227 -6.791 1.00 0.00 C ATOM 623 O GLN A 37 81.274 10.238 -7.820 1.00 0.00 O ATOM 624 CB GLN A 37 79.819 12.575 -6.369 1.00 0.00 C ATOM 625 CG GLN A 37 78.590 13.405 -5.992 1.00 0.00 C ATOM 626 CD GLN A 37 78.501 14.630 -6.905 1.00 0.00 C ATOM 627 OE1 GLN A 37 79.043 14.630 -7.992 1.00 0.00 O ATOM 628 NE2 GLN A 37 77.834 15.678 -6.507 1.00 0.00 N ATOM 0 H GLN A 37 78.631 11.421 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 37 78.796 11.026 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 37 80.562 12.623 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.286 12.984 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 37 77.687 12.801 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 37 78.656 13.719 -4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 37 77.379 15.677 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 37 77.767 16.499 -7.109 1.00 0.00 H new ATOM 637 N GLY A 38 80.954 9.444 -5.795 1.00 0.00 N ATOM 638 CA GLY A 38 82.137 8.545 -5.912 1.00 0.00 C ATOM 639 C GLY A 38 81.706 7.100 -5.655 1.00 0.00 C ATOM 640 O GLY A 38 82.455 6.303 -5.128 1.00 0.00 O ATOM 0 H GLY A 38 80.452 9.389 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.578 8.633 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.904 8.840 -5.196 1.00 0.00 H new ATOM 644 N ASP A 39 80.502 6.759 -6.023 1.00 0.00 N ATOM 645 CA ASP A 39 80.021 5.365 -5.799 1.00 0.00 C ATOM 646 C ASP A 39 79.530 4.754 -7.116 1.00 0.00 C ATOM 647 O ASP A 39 78.347 4.686 -7.376 1.00 0.00 O ATOM 648 CB ASP A 39 78.865 5.502 -4.806 1.00 0.00 C ATOM 649 CG ASP A 39 79.425 5.724 -3.401 1.00 0.00 C ATOM 650 OD1 ASP A 39 80.635 5.812 -3.273 1.00 0.00 O ATOM 651 OD2 ASP A 39 78.634 5.802 -2.474 1.00 0.00 O ATOM 0 H ASP A 39 79.830 7.384 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 39 80.808 4.712 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 39 78.224 6.337 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 78.247 4.605 -4.825 1.00 0.00 H new ATOM 656 N LYS A 40 80.433 4.300 -7.940 1.00 0.00 N ATOM 657 CA LYS A 40 80.023 3.682 -9.235 1.00 0.00 C ATOM 658 C LYS A 40 79.753 2.195 -9.029 1.00 0.00 C ATOM 659 O LYS A 40 80.197 1.350 -9.779 1.00 0.00 O ATOM 660 CB LYS A 40 81.212 3.894 -10.162 1.00 0.00 C ATOM 661 CG LYS A 40 80.889 3.338 -11.549 1.00 0.00 C ATOM 662 CD LYS A 40 81.861 2.206 -11.878 1.00 0.00 C ATOM 663 CE LYS A 40 81.242 1.290 -12.936 1.00 0.00 C ATOM 664 NZ LYS A 40 79.936 0.865 -12.359 1.00 0.00 N ATOM 0 H LYS A 40 81.439 4.330 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 40 79.112 4.119 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.447 4.956 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 82.094 3.398 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.863 2.971 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.966 4.127 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.803 2.616 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.090 1.636 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.104 1.815 -13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.882 0.432 -13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 79.757 -0.130 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 79.963 0.970 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 79.175 1.458 -12.748 1.00 0.00 H new ATOM 678 N GLU A 41 79.032 1.884 -7.997 1.00 0.00 N ATOM 679 CA GLU A 41 78.711 0.468 -7.680 1.00 0.00 C ATOM 680 C GLU A 41 77.809 0.459 -6.452 1.00 0.00 C ATOM 681 O GLU A 41 76.869 -0.303 -6.353 1.00 0.00 O ATOM 682 CB GLU A 41 80.057 -0.210 -7.383 1.00 0.00 C ATOM 683 CG GLU A 41 81.033 0.797 -6.761 1.00 0.00 C ATOM 684 CD GLU A 41 82.220 0.050 -6.151 1.00 0.00 C ATOM 685 OE1 GLU A 41 82.565 -0.998 -6.670 1.00 0.00 O ATOM 686 OE2 GLU A 41 82.764 0.539 -5.175 1.00 0.00 O ATOM 0 H GLU A 41 78.642 2.564 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 41 78.197 -0.052 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.907 -1.049 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.479 -0.615 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.382 1.497 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.527 1.384 -5.995 1.00 0.00 H new ATOM 693 N ALA A 42 78.078 1.341 -5.531 1.00 0.00 N ATOM 694 CA ALA A 42 77.230 1.440 -4.316 1.00 0.00 C ATOM 695 C ALA A 42 76.074 2.392 -4.607 1.00 0.00 C ATOM 696 O ALA A 42 75.065 2.389 -3.930 1.00 0.00 O ATOM 697 CB ALA A 42 78.143 2.006 -3.230 1.00 0.00 C ATOM 0 H ALA A 42 78.855 2.001 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 42 76.806 0.484 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 42 77.583 2.107 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.985 1.332 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 42 78.513 2.984 -3.539 1.00 0.00 H new ATOM 703 N GLU A 43 76.210 3.205 -5.625 1.00 0.00 N ATOM 704 CA GLU A 43 75.108 4.152 -5.967 1.00 0.00 C ATOM 705 C GLU A 43 73.773 3.443 -5.916 1.00 0.00 C ATOM 706 O GLU A 43 72.806 3.926 -5.364 1.00 0.00 O ATOM 707 CB GLU A 43 75.335 4.559 -7.413 1.00 0.00 C ATOM 708 CG GLU A 43 74.221 5.518 -7.840 1.00 0.00 C ATOM 709 CD GLU A 43 74.821 6.703 -8.598 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.571 7.450 -7.993 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.518 6.843 -9.772 1.00 0.00 O ATOM 0 H GLU A 43 77.030 3.253 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 43 75.103 4.993 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.308 5.039 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.341 3.679 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.502 4.997 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.678 5.872 -6.964 1.00 0.00 H new ATOM 718 N ALA A 44 73.710 2.318 -6.553 1.00 0.00 N ATOM 719 CA ALA A 44 72.436 1.585 -6.623 1.00 0.00 C ATOM 720 C ALA A 44 71.871 1.322 -5.232 1.00 0.00 C ATOM 721 O ALA A 44 70.744 1.664 -4.950 1.00 0.00 O ATOM 722 CB ALA A 44 72.756 0.276 -7.342 1.00 0.00 C ATOM 0 H ALA A 44 74.494 1.874 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 44 71.675 2.159 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.849 -0.322 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.145 0.493 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.503 -0.278 -6.773 1.00 0.00 H new ATOM 728 N LYS A 45 72.625 0.717 -4.357 1.00 0.00 N ATOM 729 CA LYS A 45 72.075 0.452 -2.999 1.00 0.00 C ATOM 730 C LYS A 45 71.366 1.702 -2.478 1.00 0.00 C ATOM 731 O LYS A 45 70.483 1.625 -1.647 1.00 0.00 O ATOM 732 CB LYS A 45 73.264 0.111 -2.105 1.00 0.00 C ATOM 733 CG LYS A 45 72.784 0.115 -0.650 1.00 0.00 C ATOM 734 CD LYS A 45 73.898 -0.396 0.265 1.00 0.00 C ATOM 735 CE LYS A 45 74.127 0.607 1.399 1.00 0.00 C ATOM 736 NZ LYS A 45 73.963 -0.183 2.652 1.00 0.00 N ATOM 0 H LYS A 45 73.581 0.400 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 45 71.352 -0.364 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 73.670 -0.865 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 45 74.065 0.838 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 45 72.494 1.124 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.900 -0.514 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.629 -1.369 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 74.817 -0.533 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 45 75.121 1.050 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.409 1.426 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.106 0.437 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 73.005 -0.587 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 74.664 -0.951 2.672 1.00 0.00 H new ATOM 750 N PHE A 46 71.741 2.855 -2.964 1.00 0.00 N ATOM 751 CA PHE A 46 71.081 4.105 -2.498 1.00 0.00 C ATOM 752 C PHE A 46 69.692 4.223 -3.123 1.00 0.00 C ATOM 753 O PHE A 46 68.713 4.432 -2.439 1.00 0.00 O ATOM 754 CB PHE A 46 72.000 5.236 -2.962 1.00 0.00 C ATOM 755 CG PHE A 46 73.415 4.942 -2.515 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.646 4.078 -1.436 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.494 5.529 -3.180 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.955 3.801 -1.027 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.804 5.252 -2.771 1.00 0.00 C ATOM 760 CZ PHE A 46 76.034 4.388 -1.695 1.00 0.00 C ATOM 0 H PHE A 46 72.474 2.983 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 46 70.939 4.129 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.961 5.330 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.665 6.187 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.812 3.625 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.318 6.197 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 46 75.132 3.134 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.638 5.706 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 46 77.045 4.174 -1.380 1.00 0.00 H new ATOM 770 N LYS A 47 69.580 4.059 -4.412 1.00 0.00 N ATOM 771 CA LYS A 47 68.229 4.135 -5.034 1.00 0.00 C ATOM 772 C LYS A 47 67.593 2.741 -4.992 1.00 0.00 C ATOM 773 O LYS A 47 66.413 2.570 -5.220 1.00 0.00 O ATOM 774 CB LYS A 47 68.468 4.641 -6.469 1.00 0.00 C ATOM 775 CG LYS A 47 68.278 3.514 -7.491 1.00 0.00 C ATOM 776 CD LYS A 47 69.309 2.412 -7.240 1.00 0.00 C ATOM 777 CE LYS A 47 69.890 1.947 -8.580 1.00 0.00 C ATOM 778 NZ LYS A 47 70.418 3.182 -9.222 1.00 0.00 N ATOM 0 H LYS A 47 70.353 3.878 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 47 67.542 4.806 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.779 5.456 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.477 5.045 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.270 3.107 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.388 3.905 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.105 2.783 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.843 1.574 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.680 1.210 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 47 69.126 1.476 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 71.314 2.967 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 69.728 3.535 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 70.581 3.908 -8.496 1.00 0.00 H new ATOM 792 N GLU A 48 68.377 1.755 -4.666 1.00 0.00 N ATOM 793 CA GLU A 48 67.849 0.374 -4.562 1.00 0.00 C ATOM 794 C GLU A 48 66.841 0.373 -3.439 1.00 0.00 C ATOM 795 O GLU A 48 65.848 -0.323 -3.451 1.00 0.00 O ATOM 796 CB GLU A 48 69.058 -0.470 -4.181 1.00 0.00 C ATOM 797 CG GLU A 48 69.816 -0.887 -5.440 1.00 0.00 C ATOM 798 CD GLU A 48 69.050 -2.000 -6.158 1.00 0.00 C ATOM 799 OE1 GLU A 48 68.047 -2.443 -5.623 1.00 0.00 O ATOM 800 OE2 GLU A 48 69.480 -2.390 -7.231 1.00 0.00 O ATOM 0 H GLU A 48 69.372 1.851 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 48 67.375 0.003 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.715 0.096 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.737 -1.354 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.938 -0.030 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.816 -1.232 -5.177 1.00 0.00 H new ATOM 807 N ILE A 49 67.104 1.192 -2.471 1.00 0.00 N ATOM 808 CA ILE A 49 66.183 1.317 -1.318 1.00 0.00 C ATOM 809 C ILE A 49 64.842 1.823 -1.822 1.00 0.00 C ATOM 810 O ILE A 49 63.794 1.291 -1.516 1.00 0.00 O ATOM 811 CB ILE A 49 66.815 2.382 -0.440 1.00 0.00 C ATOM 812 CG1 ILE A 49 68.155 1.877 0.084 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.886 2.711 0.722 1.00 0.00 C ATOM 814 CD1 ILE A 49 69.158 3.030 0.128 1.00 0.00 C ATOM 0 H ILE A 49 67.930 1.789 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 49 66.029 0.375 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 49 66.978 3.287 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 49 68.030 1.452 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.530 1.080 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.344 3.476 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.936 3.080 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.712 1.813 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 49 70.115 2.666 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.292 3.434 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.784 3.813 0.788 1.00 0.00 H new ATOM 826 N LYS A 50 64.890 2.866 -2.602 1.00 0.00 N ATOM 827 CA LYS A 50 63.633 3.449 -3.152 1.00 0.00 C ATOM 828 C LYS A 50 62.732 2.328 -3.672 1.00 0.00 C ATOM 829 O LYS A 50 61.588 2.215 -3.287 1.00 0.00 O ATOM 830 CB LYS A 50 64.072 4.356 -4.304 1.00 0.00 C ATOM 831 CG LYS A 50 64.708 5.631 -3.748 1.00 0.00 C ATOM 832 CD LYS A 50 64.378 6.808 -4.669 1.00 0.00 C ATOM 833 CE LYS A 50 63.498 7.812 -3.920 1.00 0.00 C ATOM 834 NZ LYS A 50 62.797 8.580 -4.987 1.00 0.00 N ATOM 0 H LYS A 50 65.747 3.342 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 50 63.071 4.002 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.784 3.831 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 50 63.214 4.609 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 50 64.336 5.827 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 50 65.788 5.508 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 50 65.296 7.291 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.863 6.452 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.788 7.305 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.097 8.469 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.174 9.289 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.498 9.058 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.229 7.930 -5.567 1.00 0.00 H new ATOM 848 N GLU A 51 63.255 1.496 -4.540 1.00 0.00 N ATOM 849 CA GLU A 51 62.456 0.360 -5.101 1.00 0.00 C ATOM 850 C GLU A 51 61.443 -0.130 -4.075 1.00 0.00 C ATOM 851 O GLU A 51 60.310 -0.423 -4.393 1.00 0.00 O ATOM 852 CB GLU A 51 63.492 -0.721 -5.382 1.00 0.00 C ATOM 853 CG GLU A 51 62.802 -2.074 -5.581 1.00 0.00 C ATOM 854 CD GLU A 51 63.649 -2.941 -6.514 1.00 0.00 C ATOM 855 OE1 GLU A 51 63.715 -2.621 -7.690 1.00 0.00 O ATOM 856 OE2 GLU A 51 64.219 -3.908 -6.037 1.00 0.00 O ATOM 0 H GLU A 51 64.212 1.556 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 51 61.892 0.641 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.066 -0.463 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.198 -0.783 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.671 -2.573 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.808 -1.929 -6.003 1.00 0.00 H new ATOM 863 N ALA A 52 61.846 -0.195 -2.841 1.00 0.00 N ATOM 864 CA ALA A 52 60.919 -0.638 -1.764 1.00 0.00 C ATOM 865 C ALA A 52 59.514 -0.099 -2.029 1.00 0.00 C ATOM 866 O ALA A 52 58.531 -0.738 -1.716 1.00 0.00 O ATOM 867 CB ALA A 52 61.518 -0.035 -0.494 1.00 0.00 C ATOM 0 H ALA A 52 62.787 0.042 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 52 60.820 -1.721 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.902 -0.307 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.528 -0.418 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.552 1.050 -0.587 1.00 0.00 H new ATOM 873 N TYR A 53 59.415 1.061 -2.622 1.00 0.00 N ATOM 874 CA TYR A 53 58.073 1.639 -2.921 1.00 0.00 C ATOM 875 C TYR A 53 57.215 0.629 -3.671 1.00 0.00 C ATOM 876 O TYR A 53 56.004 0.680 -3.626 1.00 0.00 O ATOM 877 CB TYR A 53 58.362 2.889 -3.747 1.00 0.00 C ATOM 878 CG TYR A 53 59.134 3.815 -2.854 1.00 0.00 C ATOM 879 CD1 TYR A 53 58.666 4.049 -1.563 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.328 4.394 -3.285 1.00 0.00 C ATOM 881 CE1 TYR A 53 59.387 4.861 -0.690 1.00 0.00 C ATOM 882 CE2 TYR A 53 61.052 5.215 -2.416 1.00 0.00 C ATOM 883 CZ TYR A 53 60.584 5.450 -1.115 1.00 0.00 C ATOM 884 OH TYR A 53 61.303 6.257 -0.257 1.00 0.00 O ATOM 0 H TYR A 53 60.207 1.634 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 53 57.507 1.888 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.936 2.641 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.436 3.355 -4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 53 57.740 3.599 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 53 60.691 4.209 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 53 59.024 5.036 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.974 5.670 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 53 62.108 6.583 -0.712 1.00 0.00 H new ATOM 894 N GLU A 54 57.819 -0.322 -4.320 1.00 0.00 N ATOM 895 CA GLU A 54 56.997 -1.351 -5.007 1.00 0.00 C ATOM 896 C GLU A 54 56.286 -2.142 -3.920 1.00 0.00 C ATOM 897 O GLU A 54 55.253 -2.743 -4.130 1.00 0.00 O ATOM 898 CB GLU A 54 57.969 -2.251 -5.769 1.00 0.00 C ATOM 899 CG GLU A 54 59.069 -1.404 -6.396 1.00 0.00 C ATOM 900 CD GLU A 54 59.086 -1.620 -7.910 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.332 -0.946 -8.592 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.855 -2.451 -8.361 1.00 0.00 O ATOM 0 H GLU A 54 58.830 -0.432 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 54 56.265 -0.929 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.404 -2.987 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.437 -2.804 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.903 -0.350 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 54 60.036 -1.672 -5.970 1.00 0.00 H new ATOM 909 N VAL A 55 56.850 -2.127 -2.739 1.00 0.00 N ATOM 910 CA VAL A 55 56.234 -2.850 -1.606 1.00 0.00 C ATOM 911 C VAL A 55 55.506 -1.831 -0.732 1.00 0.00 C ATOM 912 O VAL A 55 54.425 -2.074 -0.238 1.00 0.00 O ATOM 913 CB VAL A 55 57.419 -3.537 -0.880 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.521 -3.119 0.584 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.254 -5.049 -0.909 1.00 0.00 C ATOM 0 H VAL A 55 57.718 -1.638 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 55 55.495 -3.598 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 55 58.321 -3.227 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.366 -3.627 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.667 -2.041 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.603 -3.391 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.094 -5.517 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.325 -5.323 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.225 -5.392 -1.943 1.00 0.00 H new ATOM 925 N LEU A 56 56.088 -0.683 -0.545 1.00 0.00 N ATOM 926 CA LEU A 56 55.396 0.346 0.298 1.00 0.00 C ATOM 927 C LEU A 56 54.445 1.187 -0.563 1.00 0.00 C ATOM 928 O LEU A 56 53.750 2.049 -0.062 1.00 0.00 O ATOM 929 CB LEU A 56 56.454 1.265 0.963 1.00 0.00 C ATOM 930 CG LEU A 56 57.871 1.014 0.436 1.00 0.00 C ATOM 931 CD1 LEU A 56 58.714 2.276 0.593 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.514 -0.121 1.228 1.00 0.00 C ATOM 0 H LEU A 56 56.993 -0.409 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 56 54.815 -0.159 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.185 2.307 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.439 1.108 2.042 1.00 0.00 H new ATOM 0 HG LEU A 56 57.817 0.744 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 56 59.720 2.091 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 56 58.259 3.090 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.766 2.550 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 56 59.522 -0.300 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.561 0.152 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 56 57.918 -1.027 1.114 1.00 0.00 H new ATOM 944 N THR A 57 54.401 0.953 -1.849 1.00 0.00 N ATOM 945 CA THR A 57 53.483 1.761 -2.711 1.00 0.00 C ATOM 946 C THR A 57 53.010 0.954 -3.934 1.00 0.00 C ATOM 947 O THR A 57 52.767 1.506 -4.989 1.00 0.00 O ATOM 948 CB THR A 57 54.301 2.987 -3.160 1.00 0.00 C ATOM 949 OG1 THR A 57 55.030 2.665 -4.337 1.00 0.00 O ATOM 950 CG2 THR A 57 55.280 3.417 -2.058 1.00 0.00 C ATOM 0 H THR A 57 54.953 0.247 -2.336 1.00 0.00 H new ATOM 0 HA THR A 57 52.585 2.049 -2.164 1.00 0.00 H new ATOM 0 HB THR A 57 53.614 3.810 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.317 1.729 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.848 4.284 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.723 3.675 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.964 2.597 -1.839 1.00 0.00 H new ATOM 958 N ASP A 58 52.868 -0.343 -3.808 1.00 0.00 N ATOM 959 CA ASP A 58 52.398 -1.161 -4.973 1.00 0.00 C ATOM 960 C ASP A 58 51.648 -2.388 -4.499 1.00 0.00 C ATOM 961 O ASP A 58 52.169 -3.229 -3.797 1.00 0.00 O ATOM 962 CB ASP A 58 53.655 -1.549 -5.741 1.00 0.00 C ATOM 963 CG ASP A 58 53.570 -0.999 -7.166 1.00 0.00 C ATOM 964 OD1 ASP A 58 52.813 -1.550 -7.948 1.00 0.00 O ATOM 965 OD2 ASP A 58 54.260 -0.035 -7.450 1.00 0.00 O ATOM 0 H ASP A 58 53.056 -0.869 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 58 51.706 -0.602 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 58 54.538 -1.153 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.760 -2.634 -5.764 1.00 0.00 H new ATOM 970 N SER A 59 50.411 -2.473 -4.874 1.00 0.00 N ATOM 971 CA SER A 59 49.579 -3.612 -4.442 1.00 0.00 C ATOM 972 C SER A 59 50.366 -4.926 -4.465 1.00 0.00 C ATOM 973 O SER A 59 50.298 -5.710 -3.540 1.00 0.00 O ATOM 974 CB SER A 59 48.412 -3.658 -5.426 1.00 0.00 C ATOM 975 OG SER A 59 47.597 -2.509 -5.240 1.00 0.00 O ATOM 0 H SER A 59 49.937 -1.793 -5.468 1.00 0.00 H new ATOM 0 HA SER A 59 49.240 -3.487 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 59 48.785 -3.692 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 59 47.825 -4.563 -5.271 1.00 0.00 H new ATOM 0 HG SER A 59 46.848 -2.534 -5.871 1.00 0.00 H new ATOM 981 N GLN A 60 51.108 -5.179 -5.504 1.00 0.00 N ATOM 982 CA GLN A 60 51.883 -6.453 -5.558 1.00 0.00 C ATOM 983 C GLN A 60 52.858 -6.522 -4.377 1.00 0.00 C ATOM 984 O GLN A 60 52.524 -6.987 -3.306 1.00 0.00 O ATOM 985 CB GLN A 60 52.641 -6.406 -6.887 1.00 0.00 C ATOM 986 CG GLN A 60 53.591 -7.603 -6.978 1.00 0.00 C ATOM 987 CD GLN A 60 54.942 -7.145 -7.532 1.00 0.00 C ATOM 988 OE1 GLN A 60 55.370 -6.035 -7.281 1.00 0.00 O ATOM 989 NE2 GLN A 60 55.638 -7.958 -8.278 1.00 0.00 N ATOM 0 H GLN A 60 51.213 -4.567 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 60 51.242 -7.332 -5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 60 51.938 -6.423 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 60 53.204 -5.476 -6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 60 53.723 -8.051 -5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 60 53.164 -8.371 -7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 60 55.280 -8.889 -8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 60 56.540 -7.662 -8.650 1.00 0.00 H new ATOM 998 N LYS A 61 54.059 -6.055 -4.568 1.00 0.00 N ATOM 999 CA LYS A 61 55.069 -6.079 -3.473 1.00 0.00 C ATOM 1000 C LYS A 61 54.474 -5.569 -2.152 1.00 0.00 C ATOM 1001 O LYS A 61 54.885 -5.994 -1.091 1.00 0.00 O ATOM 1002 CB LYS A 61 56.187 -5.173 -3.993 1.00 0.00 C ATOM 1003 CG LYS A 61 57.489 -5.969 -4.088 1.00 0.00 C ATOM 1004 CD LYS A 61 57.234 -7.275 -4.843 1.00 0.00 C ATOM 1005 CE LYS A 61 57.633 -8.461 -3.962 1.00 0.00 C ATOM 1006 NZ LYS A 61 59.078 -8.683 -4.247 1.00 0.00 N ATOM 0 H LYS A 61 54.388 -5.653 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 61 55.426 -7.083 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 61 55.920 -4.774 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 61 56.318 -4.321 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 58.250 -5.382 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 61 57.871 -6.182 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 61 56.182 -7.350 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 61 57.806 -7.289 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 61 57.468 -8.242 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 61 57.043 -9.346 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 59.425 -9.482 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 59.204 -8.896 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 59.615 -7.826 -4.004 1.00 0.00 H new ATOM 1020 N ARG A 62 53.513 -4.684 -2.180 1.00 0.00 N ATOM 1021 CA ARG A 62 52.944 -4.212 -0.882 1.00 0.00 C ATOM 1022 C ARG A 62 52.000 -5.278 -0.320 1.00 0.00 C ATOM 1023 O ARG A 62 51.718 -5.310 0.853 1.00 0.00 O ATOM 1024 CB ARG A 62 52.197 -2.906 -1.186 1.00 0.00 C ATOM 1025 CG ARG A 62 50.746 -3.209 -1.555 1.00 0.00 C ATOM 1026 CD ARG A 62 49.998 -1.901 -1.824 1.00 0.00 C ATOM 1027 NE ARG A 62 48.603 -2.154 -1.364 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.211 -1.722 -0.195 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.091 -1.449 0.729 1.00 0.00 N ATOM 1030 NH2 ARG A 62 46.939 -1.564 0.048 1.00 0.00 N ATOM 0 H ARG A 62 53.105 -4.276 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 62 53.717 -4.039 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.230 -2.248 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.687 -2.379 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.711 -3.847 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 62 50.262 -3.756 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.448 -1.070 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 62 50.024 -1.642 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 62 47.954 -2.665 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 62 50.085 -1.573 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 62 48.784 -1.112 1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 62 46.251 -1.778 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 62 46.632 -1.227 0.960 1.00 0.00 H new ATOM 1044 N ALA A 63 51.520 -6.155 -1.151 1.00 0.00 N ATOM 1045 CA ALA A 63 50.611 -7.223 -0.653 1.00 0.00 C ATOM 1046 C ALA A 63 51.216 -7.818 0.614 1.00 0.00 C ATOM 1047 O ALA A 63 50.544 -8.020 1.605 1.00 0.00 O ATOM 1048 CB ALA A 63 50.561 -8.262 -1.773 1.00 0.00 C ATOM 0 H ALA A 63 51.716 -6.180 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 63 49.612 -6.862 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 63 49.908 -9.083 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 63 50.175 -7.799 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 63 51.564 -8.645 -1.959 1.00 0.00 H new ATOM 1054 N ALA A 64 52.497 -8.066 0.593 1.00 0.00 N ATOM 1055 CA ALA A 64 53.162 -8.609 1.805 1.00 0.00 C ATOM 1056 C ALA A 64 52.705 -7.792 3.011 1.00 0.00 C ATOM 1057 O ALA A 64 52.595 -8.285 4.116 1.00 0.00 O ATOM 1058 CB ALA A 64 54.652 -8.405 1.544 1.00 0.00 C ATOM 0 H ALA A 64 53.108 -7.916 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 64 52.930 -9.655 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 64 55.225 -8.779 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 64 54.941 -8.947 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 64 54.856 -7.343 1.409 1.00 0.00 H new ATOM 1064 N TYR A 65 52.422 -6.542 2.783 1.00 0.00 N ATOM 1065 CA TYR A 65 51.948 -5.652 3.877 1.00 0.00 C ATOM 1066 C TYR A 65 50.664 -6.220 4.480 1.00 0.00 C ATOM 1067 O TYR A 65 50.432 -6.148 5.671 1.00 0.00 O ATOM 1068 CB TYR A 65 51.658 -4.326 3.172 1.00 0.00 C ATOM 1069 CG TYR A 65 51.379 -3.242 4.185 1.00 0.00 C ATOM 1070 CD1 TYR A 65 50.266 -3.345 5.027 1.00 0.00 C ATOM 1071 CD2 TYR A 65 52.222 -2.129 4.270 1.00 0.00 C ATOM 1072 CE1 TYR A 65 49.998 -2.336 5.958 1.00 0.00 C ATOM 1073 CE2 TYR A 65 51.952 -1.118 5.201 1.00 0.00 C ATOM 1074 CZ TYR A 65 50.838 -1.223 6.045 1.00 0.00 C ATOM 1075 OH TYR A 65 50.567 -0.229 6.962 1.00 0.00 O ATOM 0 H TYR A 65 52.500 -6.092 1.871 1.00 0.00 H new ATOM 0 HA TYR A 65 52.668 -5.548 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 65 52.508 -4.043 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 65 50.802 -4.440 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 65 49.614 -4.203 4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 65 53.080 -2.049 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 65 49.141 -2.417 6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 65 52.602 -0.258 5.268 1.00 0.00 H new ATOM 0 HH TYR A 65 51.373 -0.039 7.486 1.00 0.00 H new ATOM 1085 N ASP A 66 49.832 -6.783 3.654 1.00 0.00 N ATOM 1086 CA ASP A 66 48.553 -7.364 4.147 1.00 0.00 C ATOM 1087 C ASP A 66 48.803 -8.773 4.685 1.00 0.00 C ATOM 1088 O ASP A 66 47.984 -9.343 5.377 1.00 0.00 O ATOM 1089 CB ASP A 66 47.632 -7.390 2.919 1.00 0.00 C ATOM 1090 CG ASP A 66 47.919 -8.631 2.067 1.00 0.00 C ATOM 1091 OD1 ASP A 66 47.708 -9.726 2.560 1.00 0.00 O ATOM 1092 OD2 ASP A 66 48.345 -8.463 0.936 1.00 0.00 O ATOM 0 H ASP A 66 49.983 -6.867 2.649 1.00 0.00 H new ATOM 0 HA ASP A 66 48.111 -6.791 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 66 46.590 -7.392 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 66 47.782 -6.489 2.324 1.00 0.00 H new ATOM 1097 N GLN A 67 49.940 -9.329 4.374 1.00 0.00 N ATOM 1098 CA GLN A 67 50.266 -10.694 4.867 1.00 0.00 C ATOM 1099 C GLN A 67 51.351 -10.599 5.941 1.00 0.00 C ATOM 1100 O GLN A 67 51.866 -11.594 6.409 1.00 0.00 O ATOM 1101 CB GLN A 67 50.784 -11.446 3.641 1.00 0.00 C ATOM 1102 CG GLN A 67 49.612 -11.784 2.716 1.00 0.00 C ATOM 1103 CD GLN A 67 49.712 -13.246 2.280 1.00 0.00 C ATOM 1104 OE1 GLN A 67 50.380 -13.561 1.315 1.00 0.00 O ATOM 1105 NE2 GLN A 67 49.070 -14.159 2.956 1.00 0.00 N ATOM 0 H GLN A 67 50.660 -8.894 3.797 1.00 0.00 H new ATOM 0 HA GLN A 67 49.409 -11.198 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 67 51.516 -10.837 3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 67 51.293 -12.359 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 67 48.667 -11.611 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 67 49.624 -11.131 1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 67 48.509 -13.894 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 67 49.129 -15.138 2.675 1.00 0.00 H new ATOM 1114 N TYR A 68 51.700 -9.402 6.334 1.00 0.00 N ATOM 1115 CA TYR A 68 52.749 -9.233 7.376 1.00 0.00 C ATOM 1116 C TYR A 68 54.043 -9.923 6.940 1.00 0.00 C ATOM 1117 O TYR A 68 54.748 -10.505 7.740 1.00 0.00 O ATOM 1118 CB TYR A 68 52.173 -9.899 8.622 1.00 0.00 C ATOM 1119 CG TYR A 68 51.248 -8.932 9.320 1.00 0.00 C ATOM 1120 CD1 TYR A 68 51.759 -8.045 10.274 1.00 0.00 C ATOM 1121 CD2 TYR A 68 49.881 -8.925 9.016 1.00 0.00 C ATOM 1122 CE1 TYR A 68 50.902 -7.149 10.926 1.00 0.00 C ATOM 1123 CE2 TYR A 68 49.025 -8.029 9.667 1.00 0.00 C ATOM 1124 CZ TYR A 68 49.535 -7.141 10.622 1.00 0.00 C ATOM 1125 OH TYR A 68 48.692 -6.259 11.265 1.00 0.00 O ATOM 0 H TYR A 68 51.302 -8.534 5.976 1.00 0.00 H new ATOM 0 HA TYR A 68 52.996 -8.186 7.552 1.00 0.00 H new ATOM 0 HB2 TYR A 68 51.632 -10.804 8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 68 52.978 -10.200 9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 68 52.813 -8.051 10.507 1.00 0.00 H new ATOM 0 HD2 TYR A 68 49.488 -9.610 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 68 51.295 -6.465 11.663 1.00 0.00 H new ATOM 0 HE2 TYR A 68 47.971 -8.023 9.433 1.00 0.00 H new ATOM 0 HH TYR A 68 47.777 -6.383 10.937 1.00 0.00 H new ATOM 1135 N GLY A 69 54.358 -9.863 5.676 1.00 0.00 N ATOM 1136 CA GLY A 69 55.603 -10.516 5.189 1.00 0.00 C ATOM 1137 C GLY A 69 55.253 -11.867 4.578 1.00 0.00 C ATOM 1138 O GLY A 69 54.115 -12.295 4.604 1.00 0.00 O ATOM 0 H GLY A 69 53.807 -9.390 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 69 56.094 -9.884 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 69 56.306 -10.647 6.012 1.00 0.00 H new ATOM 1142 N HIS A 70 56.215 -12.548 4.027 1.00 0.00 N ATOM 1143 CA HIS A 70 55.921 -13.871 3.418 1.00 0.00 C ATOM 1144 C HIS A 70 55.911 -14.956 4.499 1.00 0.00 C ATOM 1145 O HIS A 70 55.866 -16.134 4.209 1.00 0.00 O ATOM 1146 CB HIS A 70 57.052 -14.113 2.418 1.00 0.00 C ATOM 1147 CG HIS A 70 58.378 -14.024 3.123 1.00 0.00 C ATOM 1148 ND1 HIS A 70 58.811 -14.997 4.009 1.00 0.00 N ATOM 1149 CD2 HIS A 70 59.379 -13.084 3.080 1.00 0.00 C ATOM 1150 CE1 HIS A 70 60.024 -14.626 4.458 1.00 0.00 C ATOM 1151 NE2 HIS A 70 60.417 -13.467 3.923 1.00 0.00 N ATOM 0 H HIS A 70 57.188 -12.247 3.972 1.00 0.00 H new ATOM 0 HA HIS A 70 54.945 -13.896 2.934 1.00 0.00 H new ATOM 0 HB2 HIS A 70 56.939 -15.094 1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 70 57.005 -13.377 1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 70 59.362 -12.184 2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 70 60.609 -15.196 5.165 1.00 0.00 H new ATOM 0 HE2 HIS A 70 61.291 -12.970 4.096 1.00 0.00 H new ATOM 1159 N ALA A 71 55.949 -14.564 5.743 1.00 0.00 N ATOM 1160 CA ALA A 71 55.940 -15.570 6.843 1.00 0.00 C ATOM 1161 C ALA A 71 54.513 -16.067 7.092 1.00 0.00 C ATOM 1162 O ALA A 71 54.295 -17.214 7.425 1.00 0.00 O ATOM 1163 CB ALA A 71 56.470 -14.822 8.067 1.00 0.00 C ATOM 0 H ALA A 71 55.986 -13.591 6.045 1.00 0.00 H new ATOM 0 HA ALA A 71 56.544 -16.446 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 71 56.494 -15.496 8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.477 -14.458 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.817 -13.978 8.289 1.00 0.00 H new ATOM 1169 N ALA A 72 53.540 -15.212 6.930 1.00 0.00 N ATOM 1170 CA ALA A 72 52.128 -15.637 7.155 1.00 0.00 C ATOM 1171 C ALA A 72 51.784 -16.812 6.236 1.00 0.00 C ATOM 1172 O ALA A 72 50.864 -17.565 6.492 1.00 0.00 O ATOM 1173 CB ALA A 72 51.285 -14.412 6.800 1.00 0.00 C ATOM 0 H ALA A 72 53.661 -14.238 6.652 1.00 0.00 H new ATOM 0 HA ALA A 72 51.951 -15.969 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 72 50.229 -14.644 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 72 51.562 -13.580 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 72 51.462 -14.138 5.760 1.00 0.00 H new ATOM 1179 N PHE A 73 52.518 -16.972 5.171 1.00 0.00 N ATOM 1180 CA PHE A 73 52.239 -18.096 4.232 1.00 0.00 C ATOM 1181 C PHE A 73 53.486 -18.970 4.075 1.00 0.00 C ATOM 1182 O PHE A 73 53.539 -19.852 3.242 1.00 0.00 O ATOM 1183 CB PHE A 73 51.886 -17.424 2.905 1.00 0.00 C ATOM 1184 CG PHE A 73 50.479 -17.801 2.507 1.00 0.00 C ATOM 1185 CD1 PHE A 73 49.406 -17.500 3.355 1.00 0.00 C ATOM 1186 CD2 PHE A 73 50.249 -18.453 1.290 1.00 0.00 C ATOM 1187 CE1 PHE A 73 48.103 -17.850 2.985 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.944 -18.803 0.920 1.00 0.00 C ATOM 1189 CZ PHE A 73 47.871 -18.501 1.767 1.00 0.00 C ATOM 0 H PHE A 73 53.301 -16.373 4.909 1.00 0.00 H new ATOM 0 HA PHE A 73 51.437 -18.744 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 73 51.971 -16.341 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 73 52.589 -17.732 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 73 49.584 -16.998 4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 73 51.077 -18.686 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 73 47.276 -17.618 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 73 48.766 -19.306 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 73 46.865 -18.770 1.481 1.00 0.00 H new ATOM 1199 N GLU A 74 54.492 -18.730 4.872 1.00 0.00 N ATOM 1200 CA GLU A 74 55.734 -19.546 4.767 1.00 0.00 C ATOM 1201 C GLU A 74 56.117 -19.736 3.296 1.00 0.00 C ATOM 1202 O GLU A 74 56.000 -18.832 2.493 1.00 0.00 O ATOM 1203 CB GLU A 74 55.381 -20.886 5.412 1.00 0.00 C ATOM 1204 CG GLU A 74 54.916 -20.652 6.852 1.00 0.00 C ATOM 1205 CD GLU A 74 55.533 -21.713 7.766 1.00 0.00 C ATOM 1206 OE1 GLU A 74 55.788 -22.805 7.286 1.00 0.00 O ATOM 1207 OE2 GLU A 74 55.739 -21.415 8.931 1.00 0.00 O ATOM 0 H GLU A 74 54.507 -18.005 5.590 1.00 0.00 H new ATOM 0 HA GLU A 74 56.585 -19.073 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 74 54.596 -21.381 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 74 56.248 -21.547 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 74 55.210 -19.656 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 53.828 -20.698 6.906 1.00 0.00 H new ATOM 1214 N GLN A 75 56.574 -20.903 2.935 1.00 0.00 N ATOM 1215 CA GLN A 75 56.963 -21.145 1.516 1.00 0.00 C ATOM 1216 C GLN A 75 55.779 -20.859 0.588 1.00 0.00 C ATOM 1217 O GLN A 75 54.766 -20.333 1.004 1.00 0.00 O ATOM 1218 CB GLN A 75 57.348 -22.623 1.458 1.00 0.00 C ATOM 1219 CG GLN A 75 58.848 -22.749 1.185 1.00 0.00 C ATOM 1220 CD GLN A 75 59.393 -23.997 1.884 1.00 0.00 C ATOM 1221 OE1 GLN A 75 59.455 -25.058 1.296 1.00 0.00 O ATOM 1222 NE2 GLN A 75 59.792 -23.913 3.123 1.00 0.00 N ATOM 0 H GLN A 75 56.695 -21.700 3.560 1.00 0.00 H new ATOM 0 HA GLN A 75 57.780 -20.499 1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 75 57.096 -23.113 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 75 56.781 -23.127 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 75 59.029 -22.812 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 75 59.369 -21.862 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 75 59.740 -23.022 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 75 60.156 -24.739 3.599 1.00 0.00 H new ATOM 1231 N GLY A 76 55.900 -21.202 -0.665 1.00 0.00 N ATOM 1232 CA GLY A 76 54.781 -20.949 -1.618 1.00 0.00 C ATOM 1233 C GLY A 76 54.952 -21.831 -2.855 1.00 0.00 C ATOM 1234 O GLY A 76 56.050 -22.215 -3.209 1.00 0.00 O ATOM 0 H GLY A 76 56.724 -21.646 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 76 53.826 -21.160 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 76 54.767 -19.898 -1.907 1.00 0.00 H new ATOM 1238 N GLY A 77 53.875 -22.155 -3.518 1.00 0.00 N ATOM 1239 CA GLY A 77 53.978 -23.011 -4.734 1.00 0.00 C ATOM 1240 C GLY A 77 54.765 -22.269 -5.816 1.00 0.00 C ATOM 1241 O GLY A 77 55.982 -22.331 -5.782 1.00 0.00 O ATOM 1242 OXT GLY A 77 54.136 -21.653 -6.661 1.00 0.00 O ATOM 0 H GLY A 77 52.929 -21.864 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 77 54.473 -23.951 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 77 52.983 -23.261 -5.101 1.00 0.00 H new TER 1246 GLY A 77