USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 51 SER OG : rot 103:sc= -2.67! USER MOD Set 1.2: A 52 HIS :FLIP no HE2:sc= -14.3! C(o=-22!,f=-17!) USER MOD Set 2.1: A 17 THR OG1 : rot 160:sc= -0.687 USER MOD Set 2.2: A 33 ASN : amide:sc= -3.58! C(o=-3.9!,f=-6!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.4 K(o=-3.9,f=-4.6) USER MOD Set 3.1: A 26 SER OG : rot -16:sc= 0.868 USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -3.06! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.68! C(o=-3.7!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 17:sc= 0.804 USER MOD Single : A 31 TYR OH : rot 60:sc= -4.02! USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= -0.178 (180deg=-0.402) USER MOD Single : A 39 ASN : amide:sc= -6.71! C(o=-6.7!,f=-12!) USER MOD Single : A 44 SER OG : rot -96:sc= 0.236 USER MOD Single : A 45 ASN : amide:sc= -0.407 K(o=-0.41,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot -83:sc= 0.15 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.594 (180deg=-2.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.827 15.388 4.950 1.00 0.00 N ATOM 2 CA LEU A 1 10.581 14.821 4.363 1.00 0.00 C ATOM 3 C LEU A 1 10.933 13.614 3.491 1.00 0.00 C ATOM 4 O LEU A 1 11.831 13.669 2.675 1.00 0.00 O ATOM 5 CB LEU A 1 9.890 15.882 3.505 1.00 0.00 C ATOM 6 CG LEU A 1 8.594 16.326 4.184 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.185 17.703 3.659 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.486 15.317 3.879 1.00 0.00 C ATOM 0 H1 LEU A 1 11.589 16.209 5.543 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.297 14.665 5.532 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.466 15.687 4.186 1.00 0.00 H new ATOM 0 HA LEU A 1 9.912 14.510 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.551 16.738 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.675 15.480 2.515 1.00 0.00 H new ATOM 0 HG LEU A 1 8.752 16.380 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.261 18.018 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.973 18.424 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.029 17.650 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.562 15.634 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.331 15.262 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.774 14.335 4.255 1.00 0.00 H new ATOM 22 N ALA A 2 10.234 12.527 3.656 1.00 0.00 N ATOM 23 CA ALA A 2 10.529 11.319 2.836 1.00 0.00 C ATOM 24 C ALA A 2 9.359 11.049 1.890 1.00 0.00 C ATOM 25 O ALA A 2 9.241 9.982 1.321 1.00 0.00 O ATOM 26 CB ALA A 2 10.730 10.114 3.757 1.00 0.00 C ATOM 0 H ALA A 2 9.470 12.422 4.324 1.00 0.00 H new ATOM 0 HA ALA A 2 11.436 11.486 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.946 9.230 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.564 10.307 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.824 9.945 4.339 1.00 0.00 H new ATOM 32 N ALA A 3 8.491 12.009 1.717 1.00 0.00 N ATOM 33 CA ALA A 3 7.329 11.806 0.807 1.00 0.00 C ATOM 34 C ALA A 3 6.539 10.577 1.260 1.00 0.00 C ATOM 35 O ALA A 3 6.994 9.803 2.078 1.00 0.00 O ATOM 36 CB ALA A 3 7.833 11.593 -0.620 1.00 0.00 C ATOM 0 H ALA A 3 8.537 12.924 2.166 1.00 0.00 H new ATOM 0 HA ALA A 3 6.683 12.684 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.984 11.444 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.398 12.468 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.477 10.714 -0.651 1.00 0.00 H new ATOM 42 N VAL A 4 5.360 10.390 0.734 1.00 0.00 N ATOM 43 CA VAL A 4 4.547 9.209 1.137 1.00 0.00 C ATOM 44 C VAL A 4 3.993 8.520 -0.112 1.00 0.00 C ATOM 45 O VAL A 4 2.918 8.835 -0.582 1.00 0.00 O ATOM 46 CB VAL A 4 3.389 9.662 2.031 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.847 9.670 3.490 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.950 11.073 1.629 1.00 0.00 C ATOM 0 H VAL A 4 4.925 11.003 0.044 1.00 0.00 H new ATOM 0 HA VAL A 4 5.174 8.509 1.689 1.00 0.00 H new ATOM 0 HB VAL A 4 2.551 8.975 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.024 9.992 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.159 8.666 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.685 10.357 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.126 11.393 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.787 11.761 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.624 11.070 0.589 1.00 0.00 H new ATOM 58 N SER A 5 4.720 7.579 -0.650 1.00 0.00 N ATOM 59 CA SER A 5 4.240 6.867 -1.868 1.00 0.00 C ATOM 60 C SER A 5 4.883 5.479 -1.930 1.00 0.00 C ATOM 61 O SER A 5 6.082 5.347 -2.075 1.00 0.00 O ATOM 62 CB SER A 5 4.632 7.663 -3.112 1.00 0.00 C ATOM 63 OG SER A 5 3.941 7.144 -4.240 1.00 0.00 O ATOM 0 H SER A 5 5.627 7.272 -0.298 1.00 0.00 H new ATOM 0 HA SER A 5 3.155 6.767 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.388 8.717 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.709 7.603 -3.272 1.00 0.00 H new ATOM 0 HG SER A 5 4.189 7.654 -5.039 1.00 0.00 H new ATOM 69 N VAL A 6 4.095 4.445 -1.824 1.00 0.00 N ATOM 70 CA VAL A 6 4.662 3.067 -1.877 1.00 0.00 C ATOM 71 C VAL A 6 4.746 2.611 -3.335 1.00 0.00 C ATOM 72 O VAL A 6 3.981 3.041 -4.175 1.00 0.00 O ATOM 73 CB VAL A 6 3.753 2.111 -1.099 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.496 0.801 -0.827 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.356 2.751 0.233 1.00 0.00 C ATOM 0 H VAL A 6 3.083 4.494 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 6 5.658 3.065 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 6 2.859 1.908 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.847 0.123 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.780 0.340 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.392 1.006 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.709 2.070 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.252 2.957 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.824 3.683 0.044 1.00 0.00 H new ATOM 85 N ASP A 7 5.667 1.737 -3.641 1.00 0.00 N ATOM 86 CA ASP A 7 5.790 1.249 -5.044 1.00 0.00 C ATOM 87 C ASP A 7 4.453 0.647 -5.469 1.00 0.00 C ATOM 88 O ASP A 7 3.885 -0.171 -4.773 1.00 0.00 O ATOM 89 CB ASP A 7 6.886 0.184 -5.122 1.00 0.00 C ATOM 90 CG ASP A 7 7.040 -0.287 -6.569 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.115 -0.085 -7.338 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.079 -0.842 -6.883 1.00 0.00 O ATOM 0 H ASP A 7 6.337 1.341 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 7 6.052 2.074 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.830 0.591 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.634 -0.659 -4.479 1.00 0.00 H new ATOM 97 N CYS A 8 3.929 1.054 -6.591 1.00 0.00 N ATOM 98 CA CYS A 8 2.614 0.507 -7.023 1.00 0.00 C ATOM 99 C CYS A 8 2.546 0.441 -8.553 1.00 0.00 C ATOM 100 O CYS A 8 1.480 0.356 -9.130 1.00 0.00 O ATOM 101 CB CYS A 8 1.508 1.429 -6.489 1.00 0.00 C ATOM 102 SG CYS A 8 -0.079 0.556 -6.385 1.00 0.00 S ATOM 0 H CYS A 8 4.350 1.736 -7.222 1.00 0.00 H new ATOM 0 HA CYS A 8 2.484 -0.501 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.786 1.802 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.407 2.296 -7.141 1.00 0.00 H new ATOM 107 N SER A 9 3.669 0.484 -9.214 1.00 0.00 N ATOM 108 CA SER A 9 3.659 0.428 -10.705 1.00 0.00 C ATOM 109 C SER A 9 3.774 -1.024 -11.183 1.00 0.00 C ATOM 110 O SER A 9 4.133 -1.283 -12.314 1.00 0.00 O ATOM 111 CB SER A 9 4.838 1.234 -11.251 1.00 0.00 C ATOM 112 OG SER A 9 4.467 1.829 -12.488 1.00 0.00 O ATOM 0 H SER A 9 4.593 0.555 -8.788 1.00 0.00 H new ATOM 0 HA SER A 9 2.721 0.849 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.129 2.004 -10.537 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.703 0.586 -11.391 1.00 0.00 H new ATOM 0 HG SER A 9 5.220 2.348 -12.840 1.00 0.00 H new ATOM 118 N GLU A 10 3.489 -1.978 -10.338 1.00 0.00 N ATOM 119 CA GLU A 10 3.607 -3.404 -10.773 1.00 0.00 C ATOM 120 C GLU A 10 2.385 -4.225 -10.330 1.00 0.00 C ATOM 121 O GLU A 10 2.174 -5.327 -10.796 1.00 0.00 O ATOM 122 CB GLU A 10 4.870 -4.013 -10.164 1.00 0.00 C ATOM 123 CG GLU A 10 4.780 -3.961 -8.637 1.00 0.00 C ATOM 124 CD GLU A 10 5.163 -2.563 -8.149 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.236 -2.106 -8.509 1.00 0.00 O ATOM 126 OE2 GLU A 10 4.380 -1.973 -7.425 1.00 0.00 O ATOM 0 H GLU A 10 3.183 -1.837 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 10 3.660 -3.428 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.985 -5.045 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.750 -3.468 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.768 -4.206 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.444 -4.705 -8.198 1.00 0.00 H new ATOM 133 N TYR A 11 1.584 -3.714 -9.435 1.00 0.00 N ATOM 134 CA TYR A 11 0.404 -4.466 -8.970 1.00 0.00 C ATOM 135 C TYR A 11 -0.725 -4.320 -10.008 1.00 0.00 C ATOM 136 O TYR A 11 -0.661 -3.462 -10.865 1.00 0.00 O ATOM 137 CB TYR A 11 0.020 -3.902 -7.601 1.00 0.00 C ATOM 138 CG TYR A 11 1.115 -4.274 -6.618 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.226 -3.435 -6.453 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.028 -5.463 -5.881 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.243 -3.780 -5.557 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.051 -5.808 -4.986 1.00 0.00 C ATOM 143 CZ TYR A 11 3.157 -4.966 -4.825 1.00 0.00 C ATOM 144 OH TYR A 11 4.161 -5.308 -3.943 1.00 0.00 O ATOM 0 H TYR A 11 1.706 -2.796 -9.007 1.00 0.00 H new ATOM 0 HA TYR A 11 0.605 -5.532 -8.867 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.094 -2.819 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.938 -4.308 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.297 -2.519 -7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.174 -6.113 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.095 -3.129 -5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.985 -6.725 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 11 3.944 -6.163 -3.515 1.00 0.00 H new ATOM 154 N PRO A 12 -1.687 -5.207 -9.940 1.00 0.00 N ATOM 155 CA PRO A 12 -1.752 -6.243 -8.895 1.00 0.00 C ATOM 156 C PRO A 12 -0.689 -7.326 -9.089 1.00 0.00 C ATOM 157 O PRO A 12 -0.142 -7.505 -10.159 1.00 0.00 O ATOM 158 CB PRO A 12 -3.155 -6.835 -9.057 1.00 0.00 C ATOM 159 CG PRO A 12 -3.587 -6.526 -10.510 1.00 0.00 C ATOM 160 CD PRO A 12 -2.774 -5.292 -10.939 1.00 0.00 C ATOM 0 HA PRO A 12 -1.565 -5.831 -7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.148 -7.909 -8.873 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.849 -6.393 -8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.386 -7.373 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.657 -6.327 -10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.379 -5.407 -11.948 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.387 -4.391 -10.937 1.00 0.00 H new ATOM 168 N LYS A 13 -0.400 -8.043 -8.039 1.00 0.00 N ATOM 169 CA LYS A 13 0.621 -9.121 -8.107 1.00 0.00 C ATOM 170 C LYS A 13 0.030 -10.400 -7.506 1.00 0.00 C ATOM 171 O LYS A 13 -0.743 -10.338 -6.570 1.00 0.00 O ATOM 172 CB LYS A 13 1.841 -8.692 -7.293 1.00 0.00 C ATOM 173 CG LYS A 13 3.036 -8.487 -8.226 1.00 0.00 C ATOM 174 CD LYS A 13 4.336 -8.692 -7.447 1.00 0.00 C ATOM 175 CE LYS A 13 5.454 -9.089 -8.413 1.00 0.00 C ATOM 176 NZ LYS A 13 6.334 -10.103 -7.766 1.00 0.00 N ATOM 0 H LYS A 13 -0.835 -7.924 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 13 0.913 -9.303 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.625 -7.769 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.076 -9.450 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.985 -9.189 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.010 -7.484 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.605 -7.776 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.201 -9.467 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.029 -9.494 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.037 -8.211 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.094 -10.373 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.750 -9.701 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.773 -10.944 -7.521 1.00 0.00 H new ATOM 190 N PRO A 14 0.402 -11.526 -8.064 1.00 0.00 N ATOM 191 CA PRO A 14 -0.087 -12.840 -7.600 1.00 0.00 C ATOM 192 C PRO A 14 0.646 -13.282 -6.330 1.00 0.00 C ATOM 193 O PRO A 14 0.580 -14.426 -5.926 1.00 0.00 O ATOM 194 CB PRO A 14 0.226 -13.770 -8.773 1.00 0.00 C ATOM 195 CG PRO A 14 1.355 -13.089 -9.581 1.00 0.00 C ATOM 196 CD PRO A 14 1.327 -11.595 -9.217 1.00 0.00 C ATOM 0 HA PRO A 14 -1.145 -12.833 -7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.540 -14.751 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.657 -13.924 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.323 -13.528 -9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.202 -13.229 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.320 -11.229 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.973 -10.988 -10.050 1.00 0.00 H new ATOM 204 N ALA A 15 1.337 -12.378 -5.698 1.00 0.00 N ATOM 205 CA ALA A 15 2.071 -12.726 -4.448 1.00 0.00 C ATOM 206 C ALA A 15 2.346 -11.448 -3.649 1.00 0.00 C ATOM 207 O ALA A 15 3.198 -10.657 -4.004 1.00 0.00 O ATOM 208 CB ALA A 15 3.398 -13.398 -4.806 1.00 0.00 C ATOM 0 H ALA A 15 1.427 -11.406 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 15 1.468 -13.409 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.935 -13.653 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.204 -14.306 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.002 -12.715 -5.404 1.00 0.00 H new ATOM 214 N CYS A 16 1.634 -11.235 -2.573 1.00 0.00 N ATOM 215 CA CYS A 16 1.868 -10.005 -1.763 1.00 0.00 C ATOM 216 C CYS A 16 3.087 -10.214 -0.868 1.00 0.00 C ATOM 217 O CYS A 16 3.235 -11.241 -0.236 1.00 0.00 O ATOM 218 CB CYS A 16 0.642 -9.706 -0.890 1.00 0.00 C ATOM 219 SG CYS A 16 -0.721 -9.150 -1.940 1.00 0.00 S ATOM 0 H CYS A 16 0.905 -11.856 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 16 2.041 -9.164 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.349 -10.598 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.884 -8.940 -0.153 1.00 0.00 H new ATOM 224 N THR A 17 3.961 -9.246 -0.807 1.00 0.00 N ATOM 225 CA THR A 17 5.166 -9.391 0.054 1.00 0.00 C ATOM 226 C THR A 17 4.734 -9.967 1.401 1.00 0.00 C ATOM 227 O THR A 17 3.567 -9.961 1.739 1.00 0.00 O ATOM 228 CB THR A 17 5.813 -8.020 0.259 1.00 0.00 C ATOM 229 OG1 THR A 17 4.840 -7.105 0.742 1.00 0.00 O ATOM 230 CG2 THR A 17 6.373 -7.516 -1.072 1.00 0.00 C ATOM 0 H THR A 17 3.892 -8.364 -1.315 1.00 0.00 H new ATOM 0 HA THR A 17 5.889 -10.056 -0.418 1.00 0.00 H new ATOM 0 HB THR A 17 6.623 -8.105 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.289 -6.347 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.834 -6.539 -0.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.120 -8.218 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.564 -7.431 -1.798 1.00 0.00 H new ATOM 238 N LEU A 18 5.651 -10.474 2.172 1.00 0.00 N ATOM 239 CA LEU A 18 5.258 -11.048 3.487 1.00 0.00 C ATOM 240 C LEU A 18 5.641 -10.078 4.604 1.00 0.00 C ATOM 241 O LEU A 18 4.958 -9.971 5.603 1.00 0.00 O ATOM 242 CB LEU A 18 5.965 -12.389 3.697 1.00 0.00 C ATOM 243 CG LEU A 18 7.480 -12.175 3.700 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.996 -12.188 5.140 1.00 0.00 C ATOM 245 CD2 LEU A 18 8.154 -13.298 2.908 1.00 0.00 C ATOM 0 H LEU A 18 6.646 -10.516 1.953 1.00 0.00 H new ATOM 0 HA LEU A 18 4.180 -11.207 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.649 -12.835 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.687 -13.086 2.906 1.00 0.00 H new ATOM 0 HG LEU A 18 7.711 -11.214 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.075 -12.036 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.516 -11.389 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.765 -13.148 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.233 -13.147 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.921 -14.258 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.788 -13.290 1.881 1.00 0.00 H new ATOM 257 N GLU A 19 6.721 -9.359 4.443 1.00 0.00 N ATOM 258 CA GLU A 19 7.127 -8.390 5.497 1.00 0.00 C ATOM 259 C GLU A 19 5.891 -7.606 5.931 1.00 0.00 C ATOM 260 O GLU A 19 5.072 -7.230 5.115 1.00 0.00 O ATOM 261 CB GLU A 19 8.175 -7.427 4.934 1.00 0.00 C ATOM 262 CG GLU A 19 7.626 -6.748 3.678 1.00 0.00 C ATOM 263 CD GLU A 19 8.430 -7.200 2.459 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.686 -8.388 2.349 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.778 -6.350 1.655 1.00 0.00 O ATOM 0 H GLU A 19 7.336 -9.402 3.630 1.00 0.00 H new ATOM 0 HA GLU A 19 7.555 -8.919 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.433 -6.677 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.091 -7.969 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.574 -7.000 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.684 -5.665 3.783 1.00 0.00 H new ATOM 272 N TYR A 20 5.729 -7.368 7.203 1.00 0.00 N ATOM 273 CA TYR A 20 4.521 -6.624 7.652 1.00 0.00 C ATOM 274 C TYR A 20 4.729 -5.120 7.495 1.00 0.00 C ATOM 275 O TYR A 20 5.272 -4.459 8.357 1.00 0.00 O ATOM 276 CB TYR A 20 4.216 -6.940 9.116 1.00 0.00 C ATOM 277 CG TYR A 20 2.832 -6.432 9.443 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.771 -6.684 8.563 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.608 -5.703 10.618 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.488 -6.209 8.854 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.323 -5.225 10.910 1.00 0.00 C ATOM 282 CZ TYR A 20 0.263 -5.479 10.028 1.00 0.00 C ATOM 283 OH TYR A 20 -1.002 -5.009 10.316 1.00 0.00 O ATOM 0 H TYR A 20 6.372 -7.652 7.942 1.00 0.00 H new ATOM 0 HA TYR A 20 3.681 -6.937 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.275 -8.014 9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.954 -6.470 9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.944 -7.247 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.424 -5.509 11.298 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.328 -6.405 8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.149 -4.661 11.815 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.985 -4.524 11.167 1.00 0.00 H new ATOM 293 N ARG A 21 4.271 -4.575 6.405 1.00 0.00 N ATOM 294 CA ARG A 21 4.402 -3.110 6.183 1.00 0.00 C ATOM 295 C ARG A 21 2.993 -2.524 6.106 1.00 0.00 C ATOM 296 O ARG A 21 2.508 -2.212 5.038 1.00 0.00 O ATOM 297 CB ARG A 21 5.142 -2.852 4.870 1.00 0.00 C ATOM 298 CG ARG A 21 6.329 -3.809 4.759 1.00 0.00 C ATOM 299 CD ARG A 21 7.606 -3.007 4.507 1.00 0.00 C ATOM 300 NE ARG A 21 8.770 -3.725 5.096 1.00 0.00 N ATOM 301 CZ ARG A 21 9.881 -3.083 5.328 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.753 -2.926 4.370 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.118 -2.596 6.515 1.00 0.00 N ATOM 0 H ARG A 21 3.808 -5.085 5.653 1.00 0.00 H new ATOM 0 HA ARG A 21 4.964 -2.648 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.467 -2.993 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.489 -1.819 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.427 -4.392 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.165 -4.517 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.755 -2.868 3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.517 -2.014 4.948 1.00 0.00 H new ATOM 0 HE ARG A 21 8.698 -4.718 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.565 -3.305 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.623 -2.424 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.434 -2.717 7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.987 -2.094 6.696 1.00 0.00 H new ATOM 317 N PRO A 22 2.371 -2.404 7.248 1.00 0.00 N ATOM 318 CA PRO A 22 0.994 -1.893 7.348 1.00 0.00 C ATOM 319 C PRO A 22 0.907 -0.449 6.906 1.00 0.00 C ATOM 320 O PRO A 22 1.395 0.430 7.569 1.00 0.00 O ATOM 321 CB PRO A 22 0.654 -2.044 8.838 1.00 0.00 C ATOM 322 CG PRO A 22 2.002 -2.158 9.579 1.00 0.00 C ATOM 323 CD PRO A 22 3.002 -2.715 8.548 1.00 0.00 C ATOM 0 HA PRO A 22 0.300 -2.431 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.085 -1.186 9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.040 -2.928 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.326 -1.187 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.920 -2.820 10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.980 -2.243 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.153 -3.787 8.674 1.00 0.00 H new ATOM 331 N LEU A 23 0.291 -0.187 5.787 1.00 0.00 N ATOM 332 CA LEU A 23 0.184 1.214 5.336 1.00 0.00 C ATOM 333 C LEU A 23 -1.235 1.696 5.609 1.00 0.00 C ATOM 334 O LEU A 23 -2.193 1.160 5.087 1.00 0.00 O ATOM 335 CB LEU A 23 0.495 1.276 3.847 1.00 0.00 C ATOM 336 CG LEU A 23 1.709 0.388 3.570 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.487 -0.409 2.295 1.00 0.00 C ATOM 338 CD2 LEU A 23 2.949 1.255 3.416 1.00 0.00 C ATOM 0 H LEU A 23 -0.137 -0.881 5.175 1.00 0.00 H new ATOM 0 HA LEU A 23 0.890 1.852 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.363 0.938 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.700 2.303 3.545 1.00 0.00 H new ATOM 0 HG LEU A 23 1.846 -0.300 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.356 -1.039 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.602 -1.035 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.344 0.275 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.814 0.621 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.809 1.946 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.115 1.819 4.334 1.00 0.00 H new ATOM 350 N CYS A 24 -1.387 2.704 6.420 1.00 0.00 N ATOM 351 CA CYS A 24 -2.766 3.199 6.704 1.00 0.00 C ATOM 352 C CYS A 24 -3.188 4.044 5.521 1.00 0.00 C ATOM 353 O CYS A 24 -2.599 5.069 5.252 1.00 0.00 O ATOM 354 CB CYS A 24 -2.790 4.065 7.967 1.00 0.00 C ATOM 355 SG CYS A 24 -4.502 4.462 8.396 1.00 0.00 S ATOM 0 H CYS A 24 -0.632 3.201 6.893 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.437 2.355 6.861 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.311 3.537 8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.223 4.982 7.803 1.00 0.00 H new ATOM 360 N GLY A 25 -4.180 3.632 4.794 1.00 0.00 N ATOM 361 CA GLY A 25 -4.577 4.444 3.622 1.00 0.00 C ATOM 362 C GLY A 25 -4.851 5.875 4.087 1.00 0.00 C ATOM 363 O GLY A 25 -4.594 6.222 5.221 1.00 0.00 O ATOM 0 H GLY A 25 -4.724 2.785 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.787 4.435 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.466 4.022 3.154 1.00 0.00 H new ATOM 367 N SER A 26 -5.390 6.706 3.242 1.00 0.00 N ATOM 368 CA SER A 26 -5.686 8.099 3.683 1.00 0.00 C ATOM 369 C SER A 26 -7.088 8.150 4.301 1.00 0.00 C ATOM 370 O SER A 26 -7.537 9.182 4.758 1.00 0.00 O ATOM 371 CB SER A 26 -5.624 9.046 2.487 1.00 0.00 C ATOM 372 OG SER A 26 -6.117 10.321 2.875 1.00 0.00 O ATOM 0 H SER A 26 -5.637 6.487 2.277 1.00 0.00 H new ATOM 0 HA SER A 26 -4.947 8.406 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.598 9.133 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.216 8.649 1.663 1.00 0.00 H new ATOM 0 HG SER A 26 -6.618 10.237 3.713 1.00 0.00 H new ATOM 378 N ASP A 27 -7.784 7.042 4.319 1.00 0.00 N ATOM 379 CA ASP A 27 -9.155 7.029 4.908 1.00 0.00 C ATOM 380 C ASP A 27 -9.151 6.204 6.198 1.00 0.00 C ATOM 381 O ASP A 27 -10.187 5.906 6.756 1.00 0.00 O ATOM 382 CB ASP A 27 -10.133 6.407 3.911 1.00 0.00 C ATOM 383 CG ASP A 27 -9.621 5.030 3.495 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.413 4.207 4.372 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.442 4.822 2.307 1.00 0.00 O ATOM 0 H ASP A 27 -7.462 6.147 3.951 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.462 8.051 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.122 6.319 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.236 7.049 3.036 1.00 0.00 H new ATOM 390 N ASN A 28 -7.989 5.846 6.675 1.00 0.00 N ATOM 391 CA ASN A 28 -7.891 5.051 7.936 1.00 0.00 C ATOM 392 C ASN A 28 -8.164 3.570 7.663 1.00 0.00 C ATOM 393 O ASN A 28 -8.706 2.867 8.494 1.00 0.00 O ATOM 394 CB ASN A 28 -8.892 5.575 8.974 1.00 0.00 C ATOM 395 CG ASN A 28 -8.809 7.102 9.050 1.00 0.00 C ATOM 396 OD1 ASN A 28 -8.403 7.751 8.108 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.181 7.708 10.145 1.00 0.00 N ATOM 0 H ASN A 28 -7.094 6.072 6.241 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.879 5.157 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.903 5.270 8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.678 5.141 9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.130 8.725 10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.523 7.165 10.938 1.00 0.00 H new ATOM 404 N LYS A 29 -7.771 3.079 6.521 1.00 0.00 N ATOM 405 CA LYS A 29 -7.989 1.634 6.225 1.00 0.00 C ATOM 406 C LYS A 29 -6.627 0.934 6.197 1.00 0.00 C ATOM 407 O LYS A 29 -5.953 0.897 5.187 1.00 0.00 O ATOM 408 CB LYS A 29 -8.699 1.468 4.878 1.00 0.00 C ATOM 409 CG LYS A 29 -7.900 2.158 3.773 1.00 0.00 C ATOM 410 CD LYS A 29 -8.792 2.332 2.541 1.00 0.00 C ATOM 411 CE LYS A 29 -9.095 0.963 1.934 1.00 0.00 C ATOM 412 NZ LYS A 29 -10.544 0.655 2.097 1.00 0.00 N ATOM 0 H LYS A 29 -7.311 3.612 5.783 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.619 1.189 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.814 0.409 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.701 1.893 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.542 3.128 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.021 1.566 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.720 2.832 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.296 2.966 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.828 0.955 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.493 0.196 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.749 -0.277 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.785 0.646 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.110 1.381 1.613 1.00 0.00 H new ATOM 426 N THR A 30 -6.212 0.402 7.316 1.00 0.00 N ATOM 427 CA THR A 30 -4.885 -0.276 7.385 1.00 0.00 C ATOM 428 C THR A 30 -4.803 -1.408 6.360 1.00 0.00 C ATOM 429 O THR A 30 -5.713 -2.199 6.208 1.00 0.00 O ATOM 430 CB THR A 30 -4.682 -0.864 8.786 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.619 0.190 9.736 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.378 -1.673 8.830 1.00 0.00 C ATOM 0 H THR A 30 -6.738 0.408 8.190 1.00 0.00 H new ATOM 0 HA THR A 30 -4.111 0.460 7.168 1.00 0.00 H new ATOM 0 HB THR A 30 -5.518 -1.522 9.024 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.988 1.008 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.241 -2.088 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.429 -2.484 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.538 -1.022 8.589 1.00 0.00 H new ATOM 440 N TYR A 31 -3.696 -1.502 5.681 1.00 0.00 N ATOM 441 CA TYR A 31 -3.505 -2.591 4.688 1.00 0.00 C ATOM 442 C TYR A 31 -2.334 -3.446 5.170 1.00 0.00 C ATOM 443 O TYR A 31 -1.290 -2.932 5.523 1.00 0.00 O ATOM 444 CB TYR A 31 -3.211 -1.983 3.318 1.00 0.00 C ATOM 445 CG TYR A 31 -4.518 -1.709 2.606 1.00 0.00 C ATOM 446 CD1 TYR A 31 -5.237 -2.763 2.030 1.00 0.00 C ATOM 447 CD2 TYR A 31 -5.004 -0.399 2.509 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.438 -2.513 1.361 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.207 -0.147 1.835 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.922 -1.206 1.261 1.00 0.00 C ATOM 451 OH TYR A 31 -8.104 -0.965 0.592 1.00 0.00 O ATOM 0 H TYR A 31 -2.907 -0.863 5.773 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.400 -3.207 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.644 -1.059 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.597 -2.664 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.862 -3.773 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.452 0.416 2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.992 -3.329 0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.582 0.863 1.758 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.832 -1.458 1.025 1.00 0.00 H new ATOM 461 N GLY A 32 -2.517 -4.740 5.235 1.00 0.00 N ATOM 462 CA GLY A 32 -1.439 -5.632 5.751 1.00 0.00 C ATOM 463 C GLY A 32 -0.063 -5.145 5.302 1.00 0.00 C ATOM 464 O GLY A 32 0.793 -4.861 6.115 1.00 0.00 O ATOM 0 H GLY A 32 -3.372 -5.218 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.480 -5.665 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.603 -6.649 5.395 1.00 0.00 H new ATOM 468 N ASN A 33 0.166 -5.042 4.024 1.00 0.00 N ATOM 469 CA ASN A 33 1.502 -4.568 3.566 1.00 0.00 C ATOM 470 C ASN A 33 1.372 -3.747 2.293 1.00 0.00 C ATOM 471 O ASN A 33 0.319 -3.256 1.960 1.00 0.00 O ATOM 472 CB ASN A 33 2.442 -5.753 3.321 1.00 0.00 C ATOM 473 CG ASN A 33 1.902 -6.641 2.201 1.00 0.00 C ATOM 474 OD1 ASN A 33 0.925 -6.312 1.558 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.515 -7.763 1.939 1.00 0.00 N ATOM 0 H ASN A 33 -0.502 -5.262 3.285 1.00 0.00 H new ATOM 0 HA ASN A 33 1.922 -3.940 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.435 -5.389 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.548 -6.336 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.174 -8.368 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.335 -8.035 2.481 1.00 0.00 H new ATOM 482 N LYS A 34 2.457 -3.574 1.606 1.00 0.00 N ATOM 483 CA LYS A 34 2.457 -2.763 0.368 1.00 0.00 C ATOM 484 C LYS A 34 1.682 -3.456 -0.756 1.00 0.00 C ATOM 485 O LYS A 34 0.984 -2.814 -1.505 1.00 0.00 O ATOM 486 CB LYS A 34 3.903 -2.539 -0.060 1.00 0.00 C ATOM 487 CG LYS A 34 4.730 -3.805 0.193 1.00 0.00 C ATOM 488 CD LYS A 34 5.954 -3.808 -0.727 1.00 0.00 C ATOM 489 CE LYS A 34 5.496 -3.825 -2.185 1.00 0.00 C ATOM 490 NZ LYS A 34 5.862 -2.534 -2.835 1.00 0.00 N ATOM 0 H LYS A 34 3.363 -3.969 1.856 1.00 0.00 H new ATOM 0 HA LYS A 34 1.964 -1.811 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.941 -2.276 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.328 -1.701 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.045 -3.844 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.123 -4.691 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.567 -2.927 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.576 -4.679 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.962 -4.656 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.418 -3.978 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.223 -2.355 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.777 -1.761 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.842 -2.584 -3.179 1.00 0.00 H new ATOM 504 N CYS A 35 1.786 -4.744 -0.905 1.00 0.00 N ATOM 505 CA CYS A 35 1.021 -5.399 -2.001 1.00 0.00 C ATOM 506 C CYS A 35 -0.469 -5.160 -1.764 1.00 0.00 C ATOM 507 O CYS A 35 -1.275 -5.205 -2.671 1.00 0.00 O ATOM 508 CB CYS A 35 1.296 -6.902 -2.005 1.00 0.00 C ATOM 509 SG CYS A 35 0.118 -7.732 -3.105 1.00 0.00 S ATOM 0 H CYS A 35 2.356 -5.363 -0.328 1.00 0.00 H new ATOM 0 HA CYS A 35 1.325 -4.981 -2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.316 -7.094 -2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.209 -7.301 -0.994 1.00 0.00 H new ATOM 514 N ASN A 36 -0.836 -4.919 -0.540 1.00 0.00 N ATOM 515 CA ASN A 36 -2.269 -4.693 -0.215 1.00 0.00 C ATOM 516 C ASN A 36 -2.634 -3.211 -0.415 1.00 0.00 C ATOM 517 O ASN A 36 -3.557 -2.884 -1.132 1.00 0.00 O ATOM 518 CB ASN A 36 -2.506 -5.100 1.240 1.00 0.00 C ATOM 519 CG ASN A 36 -2.863 -6.588 1.301 1.00 0.00 C ATOM 520 OD1 ASN A 36 -4.017 -6.952 1.191 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.914 -7.469 1.473 1.00 0.00 N ATOM 0 H ASN A 36 -0.200 -4.868 0.256 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.896 -5.291 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.613 -4.904 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.311 -4.504 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.142 -8.462 1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.945 -7.164 1.565 1.00 0.00 H new ATOM 528 N PHE A 37 -1.920 -2.318 0.217 1.00 0.00 N ATOM 529 CA PHE A 37 -2.224 -0.861 0.068 1.00 0.00 C ATOM 530 C PHE A 37 -2.146 -0.467 -1.379 1.00 0.00 C ATOM 531 O PHE A 37 -2.893 0.353 -1.877 1.00 0.00 O ATOM 532 CB PHE A 37 -1.192 -0.032 0.824 1.00 0.00 C ATOM 533 CG PHE A 37 -1.576 1.413 0.709 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.831 1.868 1.105 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.666 2.281 0.121 1.00 0.00 C ATOM 536 CE1 PHE A 37 -3.180 3.215 0.911 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.995 3.622 -0.071 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.257 4.098 0.319 1.00 0.00 C ATOM 0 H PHE A 37 -1.136 -2.534 0.833 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.224 -0.681 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.155 -0.333 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.197 -0.195 0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.535 1.187 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.302 1.916 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.153 3.572 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.279 4.295 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.518 5.135 0.166 1.00 0.00 H new ATOM 548 N CYS A 38 -1.217 -1.034 -2.032 1.00 0.00 N ATOM 549 CA CYS A 38 -1.006 -0.706 -3.465 1.00 0.00 C ATOM 550 C CYS A 38 -2.127 -1.323 -4.297 1.00 0.00 C ATOM 551 O CYS A 38 -2.833 -0.629 -4.984 1.00 0.00 O ATOM 552 CB CYS A 38 0.353 -1.232 -3.945 1.00 0.00 C ATOM 553 SG CYS A 38 0.380 -1.306 -5.756 1.00 0.00 S ATOM 0 H CYS A 38 -0.573 -1.725 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.016 0.377 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.152 -0.582 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.537 -2.222 -3.529 1.00 0.00 H new ATOM 558 N ASN A 39 -2.289 -2.622 -4.250 1.00 0.00 N ATOM 559 CA ASN A 39 -3.370 -3.261 -5.060 1.00 0.00 C ATOM 560 C ASN A 39 -4.607 -2.365 -5.030 1.00 0.00 C ATOM 561 O ASN A 39 -5.364 -2.297 -5.976 1.00 0.00 O ATOM 562 CB ASN A 39 -3.712 -4.636 -4.481 1.00 0.00 C ATOM 563 CG ASN A 39 -2.597 -5.622 -4.825 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.545 -5.228 -5.284 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.782 -6.898 -4.621 1.00 0.00 N ATOM 0 H ASN A 39 -1.725 -3.262 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.031 -3.388 -6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.832 -4.568 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.661 -4.987 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.043 -7.563 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.666 -7.230 -4.235 1.00 0.00 H new ATOM 572 N ALA A 40 -4.791 -1.644 -3.958 1.00 0.00 N ATOM 573 CA ALA A 40 -5.947 -0.717 -3.880 1.00 0.00 C ATOM 574 C ALA A 40 -5.621 0.507 -4.737 1.00 0.00 C ATOM 575 O ALA A 40 -6.384 0.912 -5.591 1.00 0.00 O ATOM 576 CB ALA A 40 -6.162 -0.288 -2.426 1.00 0.00 C ATOM 0 H ALA A 40 -4.189 -1.659 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.855 -1.203 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.011 0.393 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.360 -1.167 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.268 0.216 -2.059 1.00 0.00 H new ATOM 582 N VAL A 41 -4.472 1.083 -4.512 1.00 0.00 N ATOM 583 CA VAL A 41 -4.043 2.272 -5.301 1.00 0.00 C ATOM 584 C VAL A 41 -4.094 1.955 -6.799 1.00 0.00 C ATOM 585 O VAL A 41 -4.780 2.601 -7.560 1.00 0.00 O ATOM 586 CB VAL A 41 -2.600 2.615 -4.930 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.101 3.770 -5.802 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.528 3.010 -3.452 1.00 0.00 C ATOM 0 H VAL A 41 -3.804 0.776 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.709 3.107 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.968 1.743 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.072 4.010 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.143 3.478 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.731 4.645 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.498 3.254 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.163 3.879 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.872 2.179 -2.836 1.00 0.00 H new ATOM 598 N VAL A 42 -3.338 0.982 -7.224 1.00 0.00 N ATOM 599 CA VAL A 42 -3.288 0.622 -8.657 1.00 0.00 C ATOM 600 C VAL A 42 -4.669 0.195 -9.184 1.00 0.00 C ATOM 601 O VAL A 42 -4.977 0.402 -10.341 1.00 0.00 O ATOM 602 CB VAL A 42 -2.283 -0.522 -8.825 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.592 -1.657 -7.848 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.356 -1.040 -10.251 1.00 0.00 C ATOM 0 H VAL A 42 -2.743 0.413 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.980 1.494 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.280 -0.150 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.868 -2.460 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.534 -1.283 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.595 -2.038 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.643 -1.855 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.363 -1.403 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.114 -0.234 -10.944 1.00 0.00 H new ATOM 614 N GLU A 43 -5.506 -0.394 -8.369 1.00 0.00 N ATOM 615 CA GLU A 43 -6.849 -0.811 -8.879 1.00 0.00 C ATOM 616 C GLU A 43 -7.872 0.299 -8.624 1.00 0.00 C ATOM 617 O GLU A 43 -9.044 0.152 -8.908 1.00 0.00 O ATOM 618 CB GLU A 43 -7.309 -2.097 -8.184 1.00 0.00 C ATOM 619 CG GLU A 43 -7.924 -3.040 -9.219 1.00 0.00 C ATOM 620 CD GLU A 43 -9.407 -3.243 -8.909 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.053 -2.275 -8.541 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.874 -4.362 -9.045 1.00 0.00 O ATOM 0 H GLU A 43 -5.323 -0.602 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.770 -0.995 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.465 -2.580 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.039 -1.864 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.805 -2.626 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.405 -3.998 -9.207 1.00 0.00 H new ATOM 629 N SER A 44 -7.443 1.403 -8.080 1.00 0.00 N ATOM 630 CA SER A 44 -8.397 2.514 -7.796 1.00 0.00 C ATOM 631 C SER A 44 -8.046 3.734 -8.652 1.00 0.00 C ATOM 632 O SER A 44 -8.343 4.855 -8.297 1.00 0.00 O ATOM 633 CB SER A 44 -8.301 2.889 -6.315 1.00 0.00 C ATOM 634 OG SER A 44 -6.982 3.337 -6.029 1.00 0.00 O ATOM 0 H SER A 44 -6.474 1.585 -7.819 1.00 0.00 H new ATOM 0 HA SER A 44 -9.411 2.191 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.022 3.671 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.548 2.029 -5.693 1.00 0.00 H new ATOM 0 HG SER A 44 -6.454 2.593 -5.672 1.00 0.00 H new ATOM 640 N ASN A 45 -7.409 3.528 -9.774 1.00 0.00 N ATOM 641 CA ASN A 45 -7.033 4.684 -10.637 1.00 0.00 C ATOM 642 C ASN A 45 -6.022 5.556 -9.886 1.00 0.00 C ATOM 643 O ASN A 45 -5.728 6.667 -10.279 1.00 0.00 O ATOM 644 CB ASN A 45 -8.276 5.514 -10.974 1.00 0.00 C ATOM 645 CG ASN A 45 -8.812 5.094 -12.344 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.173 4.343 -13.056 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.966 5.549 -12.749 1.00 0.00 N ATOM 0 H ASN A 45 -7.134 2.612 -10.129 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.592 4.318 -11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.041 5.369 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.028 6.575 -10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.331 5.275 -13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.503 6.179 -12.153 1.00 0.00 H new ATOM 654 N GLY A 46 -5.492 5.051 -8.806 1.00 0.00 N ATOM 655 CA GLY A 46 -4.498 5.825 -8.010 1.00 0.00 C ATOM 656 C GLY A 46 -5.182 7.018 -7.343 1.00 0.00 C ATOM 657 O GLY A 46 -4.552 8.001 -7.008 1.00 0.00 O ATOM 0 H GLY A 46 -5.708 4.125 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.046 5.184 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.692 6.172 -8.657 1.00 0.00 H new ATOM 661 N THR A 47 -6.465 6.930 -7.133 1.00 0.00 N ATOM 662 CA THR A 47 -7.189 8.048 -6.469 1.00 0.00 C ATOM 663 C THR A 47 -7.051 7.899 -4.953 1.00 0.00 C ATOM 664 O THR A 47 -7.403 8.782 -4.195 1.00 0.00 O ATOM 665 CB THR A 47 -8.671 7.998 -6.858 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.298 6.919 -6.180 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.798 7.798 -8.369 1.00 0.00 C ATOM 0 H THR A 47 -7.044 6.131 -7.393 1.00 0.00 H new ATOM 0 HA THR A 47 -6.767 9.002 -6.784 1.00 0.00 H new ATOM 0 HB THR A 47 -9.154 8.934 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.142 6.087 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.852 7.763 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.315 8.626 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.317 6.862 -8.654 1.00 0.00 H new ATOM 675 N LEU A 48 -6.540 6.783 -4.505 1.00 0.00 N ATOM 676 CA LEU A 48 -6.373 6.560 -3.048 1.00 0.00 C ATOM 677 C LEU A 48 -5.048 7.175 -2.590 1.00 0.00 C ATOM 678 O LEU A 48 -4.015 6.972 -3.197 1.00 0.00 O ATOM 679 CB LEU A 48 -6.361 5.047 -2.779 1.00 0.00 C ATOM 680 CG LEU A 48 -5.662 4.758 -1.448 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.432 5.423 -0.315 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.602 3.248 -1.212 1.00 0.00 C ATOM 0 H LEU A 48 -6.230 6.012 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.193 7.026 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.382 4.666 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.847 4.529 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.648 5.156 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.935 5.217 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.466 6.500 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.448 5.029 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.104 3.047 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.614 2.844 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.046 2.775 -2.021 1.00 0.00 H new ATOM 694 N THR A 49 -5.065 7.906 -1.513 1.00 0.00 N ATOM 695 CA THR A 49 -3.802 8.508 -1.006 1.00 0.00 C ATOM 696 C THR A 49 -3.459 7.858 0.327 1.00 0.00 C ATOM 697 O THR A 49 -4.323 7.386 1.034 1.00 0.00 O ATOM 698 CB THR A 49 -3.980 10.017 -0.822 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.932 10.259 0.206 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.471 10.638 -2.130 1.00 0.00 C ATOM 0 H THR A 49 -5.898 8.113 -0.962 1.00 0.00 H new ATOM 0 HA THR A 49 -2.996 8.340 -1.720 1.00 0.00 H new ATOM 0 HB THR A 49 -3.025 10.464 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.046 11.225 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.597 11.713 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.740 10.453 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.426 10.192 -2.409 1.00 0.00 H new ATOM 708 N LEU A 50 -2.206 7.796 0.664 1.00 0.00 N ATOM 709 CA LEU A 50 -1.815 7.145 1.924 1.00 0.00 C ATOM 710 C LEU A 50 -1.747 8.178 3.054 1.00 0.00 C ATOM 711 O LEU A 50 -1.720 9.371 2.825 1.00 0.00 O ATOM 712 CB LEU A 50 -0.453 6.490 1.683 1.00 0.00 C ATOM 713 CG LEU A 50 0.287 6.247 2.989 1.00 0.00 C ATOM 714 CD1 LEU A 50 -0.350 5.061 3.702 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.746 5.932 2.664 1.00 0.00 C ATOM 0 H LEU A 50 -1.435 8.173 0.112 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.545 6.394 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.591 5.544 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.149 7.127 1.036 1.00 0.00 H new ATOM 0 HG LEU A 50 0.233 7.126 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.173 4.877 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.398 5.280 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.281 4.176 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.295 5.754 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.795 5.042 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.191 6.774 2.134 1.00 0.00 H new ATOM 727 N SER A 51 -1.730 7.714 4.271 1.00 0.00 N ATOM 728 CA SER A 51 -1.678 8.596 5.431 1.00 0.00 C ATOM 729 C SER A 51 -0.265 8.559 5.990 1.00 0.00 C ATOM 730 O SER A 51 0.340 9.564 6.304 1.00 0.00 O ATOM 731 CB SER A 51 -2.609 8.004 6.474 1.00 0.00 C ATOM 732 OG SER A 51 -2.068 6.819 6.976 1.00 0.00 O ATOM 0 H SER A 51 -1.751 6.720 4.500 1.00 0.00 H new ATOM 0 HA SER A 51 -1.959 9.617 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.761 8.717 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.587 7.809 6.033 1.00 0.00 H new ATOM 0 HG SER A 51 -1.680 6.985 7.861 1.00 0.00 H new ATOM 738 N HIS A 52 0.235 7.371 6.127 1.00 0.00 N ATOM 739 CA HIS A 52 1.600 7.168 6.684 1.00 0.00 C ATOM 740 C HIS A 52 1.965 5.685 6.581 1.00 0.00 C ATOM 741 O HIS A 52 1.104 4.824 6.487 1.00 0.00 O ATOM 742 CB HIS A 52 1.597 7.559 8.163 1.00 0.00 C ATOM 743 CG HIS A 52 0.698 6.597 8.889 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.281 5.763 8.424 1.00 0.00 N flip ATOM 745 CD2 HIS A 52 0.755 6.386 10.258 1.00 0.00 C flip ATOM 746 CE1 HIS A 52 -0.827 5.042 9.474 1.00 0.00 C flip ATOM 747 NE2 HIS A 52 -0.173 5.452 10.556 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.252 6.512 5.872 1.00 0.00 H new ATOM 0 HA HIS A 52 2.317 7.775 6.131 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.607 7.520 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.242 8.582 8.287 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -0.567 5.683 7.448 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.418 6.877 10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.615 4.305 9.424 1.00 0.00 H new ATOM 755 N PHE A 53 3.227 5.372 6.627 1.00 0.00 N ATOM 756 CA PHE A 53 3.634 3.946 6.563 1.00 0.00 C ATOM 757 C PHE A 53 3.519 3.330 7.956 1.00 0.00 C ATOM 758 O PHE A 53 4.331 3.575 8.827 1.00 0.00 O ATOM 759 CB PHE A 53 5.076 3.826 6.096 1.00 0.00 C ATOM 760 CG PHE A 53 5.182 4.217 4.643 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.933 5.538 4.255 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.534 3.260 3.683 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.034 5.903 2.907 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.635 3.625 2.336 1.00 0.00 C ATOM 765 CZ PHE A 53 5.385 4.946 1.948 1.00 0.00 C ATOM 0 H PHE A 53 3.993 6.041 6.706 1.00 0.00 H new ATOM 0 HA PHE A 53 2.984 3.426 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.717 4.467 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.427 2.803 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.663 6.276 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.727 2.240 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.841 6.923 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.906 2.887 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.463 5.227 0.908 1.00 0.00 H new ATOM 775 N GLY A 54 2.520 2.533 8.168 1.00 0.00 N ATOM 776 CA GLY A 54 2.331 1.889 9.488 1.00 0.00 C ATOM 777 C GLY A 54 0.849 1.600 9.697 1.00 0.00 C ATOM 778 O GLY A 54 0.024 1.853 8.840 1.00 0.00 O ATOM 0 H GLY A 54 1.814 2.296 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.905 0.964 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.702 2.540 10.280 1.00 0.00 H new ATOM 782 N LYS A 55 0.512 1.082 10.828 1.00 0.00 N ATOM 783 CA LYS A 55 -0.920 0.778 11.113 1.00 0.00 C ATOM 784 C LYS A 55 -1.614 2.042 11.622 1.00 0.00 C ATOM 785 O LYS A 55 -1.086 2.766 12.442 1.00 0.00 O ATOM 786 CB LYS A 55 -1.059 -0.337 12.168 1.00 0.00 C ATOM 787 CG LYS A 55 0.283 -0.614 12.851 1.00 0.00 C ATOM 788 CD LYS A 55 0.066 -1.545 14.043 1.00 0.00 C ATOM 789 CE LYS A 55 0.870 -1.035 15.241 1.00 0.00 C ATOM 790 NZ LYS A 55 2.166 -0.470 14.766 1.00 0.00 N ATOM 0 H LYS A 55 1.162 0.851 11.579 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.385 0.435 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.798 -0.047 12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.425 -1.248 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.976 -1.068 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.734 0.321 13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.994 -1.590 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.376 -2.558 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.303 -0.273 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.051 -1.848 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.862 -0.500 15.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.515 -1.031 13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.026 0.516 14.465 1.00 0.00 H new ATOM 804 N CYS A 56 -2.793 2.308 11.135 1.00 0.00 N ATOM 805 CA CYS A 56 -3.532 3.525 11.580 1.00 0.00 C ATOM 806 C CYS A 56 -3.421 3.663 13.099 1.00 0.00 C ATOM 807 O CYS A 56 -4.006 2.849 13.793 1.00 0.00 O ATOM 808 CB CYS A 56 -5.008 3.403 11.186 1.00 0.00 C ATOM 809 SG CYS A 56 -5.138 2.869 9.459 1.00 0.00 S ATOM 810 OXT CYS A 56 -2.752 4.583 13.543 1.00 0.00 O ATOM 0 H CYS A 56 -3.279 1.734 10.446 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.100 4.404 11.102 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.510 2.687 11.837 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.510 4.361 11.319 1.00 0.00 H new TER 815 CYS A 56