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 -141:sc= 0.595! USER MOD Set 1.2: A 52 HIS :FLIP no HE2:sc= -12.6! C(o=-16!,f=-12!) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.078 K(o=0.033,f=-7.6!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.111 X(o=0.033,f=-0.18) USER MOD Set 3.1: A 11 TYR OH : rot -1:sc= -2.22 USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 165:sc= -0.598 (180deg=-1.71!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -53:sc= 0.181 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 26 SER OG : rot -3:sc= 0.952! USER MOD Single : A 28 ASN : amide:sc= -4.94! C(o=-4.9!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0211 (180deg=-0.298) USER MOD Single : A 30 THR OG1 : rot 134:sc= -2.67! USER MOD Single : A 31 TYR OH : rot 173:sc= -0.397 USER MOD Single : A 39 ASN : amide:sc= -3.38! C(o=-3.4!,f=-10!) USER MOD Single : A 44 SER OG : rot -107:sc= 1.02 USER MOD Single : A 45 ASN : amide:sc= -12.8! C(o=-13!,f=-22!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 49 THR OG1 : rot -78:sc= -5.17! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.904 5.090 3.104 1.00 0.00 N ATOM 2 CA LEU A 1 11.201 5.949 4.098 1.00 0.00 C ATOM 3 C LEU A 1 11.553 7.417 3.843 1.00 0.00 C ATOM 4 O LEU A 1 12.304 8.023 4.580 1.00 0.00 O ATOM 5 CB LEU A 1 11.627 5.556 5.519 1.00 0.00 C ATOM 6 CG LEU A 1 13.095 5.116 5.530 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.003 6.347 5.534 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.363 4.287 6.789 1.00 0.00 C ATOM 0 H1 LEU A 1 11.877 4.100 3.420 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.433 5.171 2.180 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.893 5.399 3.017 1.00 0.00 H new ATOM 0 HA LEU A 1 10.125 5.810 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.488 6.400 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.995 4.747 5.885 1.00 0.00 H new ATOM 0 HG LEU A 1 13.300 4.518 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.046 6.030 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.812 6.943 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.799 6.946 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.406 3.971 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.156 4.890 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.718 3.408 6.790 1.00 0.00 H new ATOM 22 N ALA A 2 11.014 7.993 2.803 1.00 0.00 N ATOM 23 CA ALA A 2 11.319 9.420 2.501 1.00 0.00 C ATOM 24 C ALA A 2 10.017 10.187 2.260 1.00 0.00 C ATOM 25 O ALA A 2 9.524 10.881 3.128 1.00 0.00 O ATOM 26 CB ALA A 2 12.192 9.499 1.246 1.00 0.00 C ATOM 0 H ALA A 2 10.376 7.537 2.150 1.00 0.00 H new ATOM 0 HA ALA A 2 11.848 9.861 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.416 10.542 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.122 8.956 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.660 9.055 0.404 1.00 0.00 H new ATOM 32 N ALA A 3 9.457 10.074 1.087 1.00 0.00 N ATOM 33 CA ALA A 3 8.190 10.800 0.790 1.00 0.00 C ATOM 34 C ALA A 3 7.002 10.006 1.334 1.00 0.00 C ATOM 35 O ALA A 3 7.128 8.855 1.704 1.00 0.00 O ATOM 36 CB ALA A 3 8.042 10.970 -0.722 1.00 0.00 C ATOM 0 H ALA A 3 9.823 9.509 0.320 1.00 0.00 H new ATOM 0 HA ALA A 3 8.216 11.781 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.115 11.501 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.886 11.541 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.019 9.990 -1.198 1.00 0.00 H new ATOM 42 N VAL A 4 5.847 10.611 1.386 1.00 0.00 N ATOM 43 CA VAL A 4 4.648 9.892 1.905 1.00 0.00 C ATOM 44 C VAL A 4 3.868 9.293 0.732 1.00 0.00 C ATOM 45 O VAL A 4 2.834 9.798 0.339 1.00 0.00 O ATOM 46 CB VAL A 4 3.754 10.871 2.669 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.339 11.121 4.060 1.00 0.00 C ATOM 48 CG2 VAL A 4 3.678 12.194 1.904 1.00 0.00 C ATOM 0 H VAL A 4 5.681 11.573 1.091 1.00 0.00 H new ATOM 0 HA VAL A 4 4.965 9.094 2.577 1.00 0.00 H new ATOM 0 HB VAL A 4 2.754 10.448 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.701 11.818 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.394 10.179 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.339 11.544 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.041 12.892 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.678 12.616 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.260 12.018 0.913 1.00 0.00 H new ATOM 58 N SER A 5 4.355 8.222 0.170 1.00 0.00 N ATOM 59 CA SER A 5 3.645 7.591 -0.977 1.00 0.00 C ATOM 60 C SER A 5 4.488 6.436 -1.518 1.00 0.00 C ATOM 61 O SER A 5 5.649 6.600 -1.839 1.00 0.00 O ATOM 62 CB SER A 5 3.432 8.627 -2.082 1.00 0.00 C ATOM 63 OG SER A 5 3.528 7.987 -3.348 1.00 0.00 O ATOM 0 H SER A 5 5.216 7.756 0.456 1.00 0.00 H new ATOM 0 HA SER A 5 2.678 7.215 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.455 9.098 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.178 9.418 -2.004 1.00 0.00 H new ATOM 0 HG SER A 5 3.391 8.647 -4.059 1.00 0.00 H new ATOM 69 N VAL A 6 3.916 5.269 -1.620 1.00 0.00 N ATOM 70 CA VAL A 6 4.689 4.106 -2.137 1.00 0.00 C ATOM 71 C VAL A 6 4.426 3.945 -3.637 1.00 0.00 C ATOM 72 O VAL A 6 3.531 4.555 -4.187 1.00 0.00 O ATOM 73 CB VAL A 6 4.255 2.840 -1.395 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.134 1.665 -1.830 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.405 3.060 0.112 1.00 0.00 C ATOM 0 H VAL A 6 2.948 5.070 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 6 5.754 4.272 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 6 3.214 2.619 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.824 0.764 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.029 1.510 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.176 1.884 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.097 2.160 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.447 3.280 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.779 3.897 0.422 1.00 0.00 H new ATOM 85 N ASP A 7 5.202 3.134 -4.304 1.00 0.00 N ATOM 86 CA ASP A 7 4.996 2.945 -5.768 1.00 0.00 C ATOM 87 C ASP A 7 4.161 1.685 -6.018 1.00 0.00 C ATOM 88 O ASP A 7 4.423 0.635 -5.466 1.00 0.00 O ATOM 89 CB ASP A 7 6.352 2.801 -6.461 1.00 0.00 C ATOM 90 CG ASP A 7 6.189 3.050 -7.960 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.921 2.098 -8.675 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.334 4.191 -8.371 1.00 0.00 O ATOM 0 H ASP A 7 5.968 2.595 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 7 4.470 3.811 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.065 3.510 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.756 1.803 -6.289 1.00 0.00 H new ATOM 97 N CYS A 8 3.160 1.784 -6.851 1.00 0.00 N ATOM 98 CA CYS A 8 2.307 0.596 -7.145 1.00 0.00 C ATOM 99 C CYS A 8 1.786 0.692 -8.581 1.00 0.00 C ATOM 100 O CYS A 8 0.615 0.499 -8.841 1.00 0.00 O ATOM 101 CB CYS A 8 1.122 0.563 -6.177 1.00 0.00 C ATOM 102 SG CYS A 8 1.682 1.012 -4.514 1.00 0.00 S ATOM 0 H CYS A 8 2.896 2.638 -7.342 1.00 0.00 H new ATOM 0 HA CYS A 8 2.896 -0.313 -7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.348 1.255 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.677 -0.432 -6.165 1.00 0.00 H new ATOM 107 N SER A 9 2.647 0.992 -9.516 1.00 0.00 N ATOM 108 CA SER A 9 2.201 1.105 -10.936 1.00 0.00 C ATOM 109 C SER A 9 2.318 -0.258 -11.622 1.00 0.00 C ATOM 110 O SER A 9 2.346 -0.354 -12.833 1.00 0.00 O ATOM 111 CB SER A 9 3.084 2.118 -11.665 1.00 0.00 C ATOM 112 OG SER A 9 2.437 2.527 -12.863 1.00 0.00 O ATOM 0 H SER A 9 3.640 1.164 -9.359 1.00 0.00 H new ATOM 0 HA SER A 9 1.163 1.436 -10.965 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.271 2.981 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.053 1.675 -11.894 1.00 0.00 H new ATOM 0 HG SER A 9 2.192 1.737 -13.389 1.00 0.00 H new ATOM 118 N GLU A 10 2.390 -1.312 -10.858 1.00 0.00 N ATOM 119 CA GLU A 10 2.510 -2.669 -11.464 1.00 0.00 C ATOM 120 C GLU A 10 1.541 -3.630 -10.768 1.00 0.00 C ATOM 121 O GLU A 10 1.525 -4.816 -11.035 1.00 0.00 O ATOM 122 CB GLU A 10 3.944 -3.166 -11.281 1.00 0.00 C ATOM 123 CG GLU A 10 4.221 -3.415 -9.795 1.00 0.00 C ATOM 124 CD GLU A 10 5.089 -2.285 -9.239 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.239 -2.198 -9.637 1.00 0.00 O ATOM 126 OE2 GLU A 10 4.590 -1.527 -8.424 1.00 0.00 O ATOM 0 H GLU A 10 2.371 -1.293 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 10 2.266 -2.623 -12.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.095 -4.085 -11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.646 -2.430 -11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.282 -3.471 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.725 -4.373 -9.664 1.00 0.00 H new ATOM 133 N TYR A 11 0.745 -3.125 -9.870 1.00 0.00 N ATOM 134 CA TYR A 11 -0.212 -3.978 -9.139 1.00 0.00 C ATOM 135 C TYR A 11 -1.493 -4.149 -9.970 1.00 0.00 C ATOM 136 O TYR A 11 -1.722 -3.415 -10.912 1.00 0.00 O ATOM 137 CB TYR A 11 -0.485 -3.302 -7.794 1.00 0.00 C ATOM 138 CG TYR A 11 0.713 -3.547 -6.905 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.851 -2.744 -7.043 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.700 -4.589 -5.967 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.973 -2.974 -6.240 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.827 -4.823 -5.166 1.00 0.00 C ATOM 143 CZ TYR A 11 2.962 -4.014 -5.303 1.00 0.00 C ATOM 144 OH TYR A 11 4.071 -4.244 -4.516 1.00 0.00 O ATOM 0 H TYR A 11 0.722 -2.139 -9.612 1.00 0.00 H new ATOM 0 HA TYR A 11 0.188 -4.977 -8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.648 -2.233 -7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.389 -3.707 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.863 -1.946 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.177 -5.211 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.848 -2.349 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.820 -5.626 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 11 4.777 -3.606 -4.751 1.00 0.00 H new ATOM 154 N PRO A 12 -2.261 -5.150 -9.622 1.00 0.00 N ATOM 155 CA PRO A 12 -1.961 -6.024 -8.476 1.00 0.00 C ATOM 156 C PRO A 12 -0.824 -6.998 -8.793 1.00 0.00 C ATOM 157 O PRO A 12 -0.456 -7.202 -9.934 1.00 0.00 O ATOM 158 CB PRO A 12 -3.274 -6.777 -8.238 1.00 0.00 C ATOM 159 CG PRO A 12 -4.050 -6.727 -9.578 1.00 0.00 C ATOM 160 CD PRO A 12 -3.484 -5.529 -10.364 1.00 0.00 C ATOM 0 HA PRO A 12 -1.627 -5.463 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.083 -7.807 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.850 -6.312 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.921 -7.654 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.119 -6.607 -9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.256 -5.801 -11.394 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.197 -4.706 -10.402 1.00 0.00 H new ATOM 168 N LYS A 13 -0.267 -7.596 -7.775 1.00 0.00 N ATOM 169 CA LYS A 13 0.849 -8.558 -7.977 1.00 0.00 C ATOM 170 C LYS A 13 0.365 -9.967 -7.620 1.00 0.00 C ATOM 171 O LYS A 13 -0.424 -10.133 -6.711 1.00 0.00 O ATOM 172 CB LYS A 13 2.009 -8.168 -7.059 1.00 0.00 C ATOM 173 CG LYS A 13 3.245 -7.845 -7.900 1.00 0.00 C ATOM 174 CD LYS A 13 4.505 -8.119 -7.079 1.00 0.00 C ATOM 175 CE LYS A 13 4.825 -9.614 -7.116 1.00 0.00 C ATOM 176 NZ LYS A 13 6.292 -9.812 -6.943 1.00 0.00 N ATOM 0 H LYS A 13 -0.542 -7.456 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 13 1.179 -8.539 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.733 -7.304 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.229 -8.983 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.250 -8.450 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.222 -6.801 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.343 -7.547 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.358 -7.793 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.282 -10.133 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.498 -10.043 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.510 -10.828 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.800 -9.330 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.590 -9.416 -6.029 1.00 0.00 H new ATOM 190 N PRO A 14 0.849 -10.943 -8.348 1.00 0.00 N ATOM 191 CA PRO A 14 0.475 -12.356 -8.134 1.00 0.00 C ATOM 192 C PRO A 14 1.239 -12.951 -6.948 1.00 0.00 C ATOM 193 O PRO A 14 1.283 -14.151 -6.764 1.00 0.00 O ATOM 194 CB PRO A 14 0.888 -13.033 -9.442 1.00 0.00 C ATOM 195 CG PRO A 14 1.966 -12.127 -10.080 1.00 0.00 C ATOM 196 CD PRO A 14 1.795 -10.729 -9.464 1.00 0.00 C ATOM 0 HA PRO A 14 -0.582 -12.486 -7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.281 -14.032 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.032 -13.147 -10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.965 -12.517 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.847 -12.089 -11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.746 -10.330 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.401 -10.018 -10.190 1.00 0.00 H new ATOM 204 N ALA A 15 1.837 -12.122 -6.146 1.00 0.00 N ATOM 205 CA ALA A 15 2.597 -12.636 -4.971 1.00 0.00 C ATOM 206 C ALA A 15 2.878 -11.488 -3.998 1.00 0.00 C ATOM 207 O ALA A 15 3.702 -10.632 -4.253 1.00 0.00 O ATOM 208 CB ALA A 15 3.921 -13.237 -5.446 1.00 0.00 C ATOM 0 H ALA A 15 1.834 -11.107 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 15 2.009 -13.402 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.478 -13.613 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.722 -14.056 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.508 -12.470 -5.952 1.00 0.00 H new ATOM 214 N CYS A 16 2.199 -11.463 -2.882 1.00 0.00 N ATOM 215 CA CYS A 16 2.427 -10.371 -1.892 1.00 0.00 C ATOM 216 C CYS A 16 3.385 -10.859 -0.803 1.00 0.00 C ATOM 217 O CYS A 16 3.198 -11.912 -0.225 1.00 0.00 O ATOM 218 CB CYS A 16 1.094 -9.966 -1.259 1.00 0.00 C ATOM 219 SG CYS A 16 -0.003 -9.311 -2.540 1.00 0.00 S ATOM 0 H CYS A 16 1.496 -12.152 -2.613 1.00 0.00 H new ATOM 0 HA CYS A 16 2.863 -9.509 -2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.633 -10.826 -0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.259 -9.215 -0.486 1.00 0.00 H new ATOM 224 N THR A 17 4.410 -10.104 -0.520 1.00 0.00 N ATOM 225 CA THR A 17 5.382 -10.523 0.530 1.00 0.00 C ATOM 226 C THR A 17 4.634 -10.785 1.839 1.00 0.00 C ATOM 227 O THR A 17 3.430 -10.647 1.914 1.00 0.00 O ATOM 228 CB THR A 17 6.411 -9.411 0.745 1.00 0.00 C ATOM 229 OG1 THR A 17 5.736 -8.204 1.073 1.00 0.00 O ATOM 230 CG2 THR A 17 7.228 -9.211 -0.532 1.00 0.00 C ATOM 0 H THR A 17 4.617 -9.213 -0.971 1.00 0.00 H new ATOM 0 HA THR A 17 5.891 -11.433 0.213 1.00 0.00 H new ATOM 0 HB THR A 17 7.081 -9.688 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.392 -7.490 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.960 -8.418 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.745 -10.138 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.563 -8.934 -1.350 1.00 0.00 H new ATOM 238 N LEU A 18 5.338 -11.163 2.872 1.00 0.00 N ATOM 239 CA LEU A 18 4.661 -11.432 4.171 1.00 0.00 C ATOM 240 C LEU A 18 5.067 -10.369 5.195 1.00 0.00 C ATOM 241 O LEU A 18 4.414 -10.192 6.204 1.00 0.00 O ATOM 242 CB LEU A 18 5.062 -12.816 4.683 1.00 0.00 C ATOM 243 CG LEU A 18 6.584 -12.891 4.819 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.955 -13.089 6.289 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.111 -14.069 3.998 1.00 0.00 C ATOM 0 H LEU A 18 6.349 -11.297 2.872 1.00 0.00 H new ATOM 0 HA LEU A 18 3.581 -11.399 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.591 -13.009 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.710 -13.585 3.996 1.00 0.00 H new ATOM 0 HG LEU A 18 7.028 -11.965 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.039 -13.143 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.579 -12.251 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.512 -14.015 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.195 -14.123 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.667 -14.995 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.846 -13.929 2.950 1.00 0.00 H new ATOM 257 N GLU A 19 6.134 -9.655 4.946 1.00 0.00 N ATOM 258 CA GLU A 19 6.562 -8.604 5.913 1.00 0.00 C ATOM 259 C GLU A 19 5.330 -7.807 6.341 1.00 0.00 C ATOM 260 O GLU A 19 4.566 -7.344 5.518 1.00 0.00 O ATOM 261 CB GLU A 19 7.579 -7.671 5.249 1.00 0.00 C ATOM 262 CG GLU A 19 8.912 -8.405 5.094 1.00 0.00 C ATOM 263 CD GLU A 19 9.324 -8.412 3.620 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.813 -9.243 2.886 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.144 -7.588 3.251 1.00 0.00 O ATOM 0 H GLU A 19 6.724 -9.754 4.120 1.00 0.00 H new ATOM 0 HA GLU A 19 7.028 -9.066 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.212 -7.349 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.713 -6.773 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.680 -7.917 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.821 -9.427 5.462 1.00 0.00 H new ATOM 272 N TYR A 20 5.113 -7.663 7.619 1.00 0.00 N ATOM 273 CA TYR A 20 3.909 -6.920 8.077 1.00 0.00 C ATOM 274 C TYR A 20 4.197 -5.422 8.171 1.00 0.00 C ATOM 275 O TYR A 20 4.362 -4.876 9.243 1.00 0.00 O ATOM 276 CB TYR A 20 3.471 -7.438 9.445 1.00 0.00 C ATOM 277 CG TYR A 20 2.110 -6.873 9.781 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.094 -6.869 8.814 1.00 0.00 C ATOM 279 CD2 TYR A 20 1.864 -6.352 11.055 1.00 0.00 C ATOM 280 CE1 TYR A 20 -0.168 -6.343 9.126 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.604 -5.826 11.366 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.412 -5.822 10.402 1.00 0.00 C ATOM 283 OH TYR A 20 -1.654 -5.304 10.710 1.00 0.00 O ATOM 0 H TYR A 20 5.713 -8.025 8.360 1.00 0.00 H new ATOM 0 HA TYR A 20 3.113 -7.078 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.434 -8.527 9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.196 -7.148 10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.284 -7.271 7.830 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.646 -6.355 11.800 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.951 -6.340 8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.416 -5.423 12.350 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.655 -4.985 11.637 1.00 0.00 H new ATOM 293 N ARG A 21 4.218 -4.750 7.055 1.00 0.00 N ATOM 294 CA ARG A 21 4.442 -3.279 7.064 1.00 0.00 C ATOM 295 C ARG A 21 3.127 -2.631 6.635 1.00 0.00 C ATOM 296 O ARG A 21 2.920 -2.371 5.469 1.00 0.00 O ATOM 297 CB ARG A 21 5.551 -2.912 6.074 1.00 0.00 C ATOM 298 CG ARG A 21 6.690 -3.927 6.185 1.00 0.00 C ATOM 299 CD ARG A 21 7.954 -3.224 6.683 1.00 0.00 C ATOM 300 NE ARG A 21 8.599 -4.053 7.740 1.00 0.00 N ATOM 301 CZ ARG A 21 9.900 -4.090 7.836 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.575 -2.980 7.966 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.524 -5.234 7.799 1.00 0.00 N ATOM 0 H ARG A 21 4.089 -5.160 6.130 1.00 0.00 H new ATOM 0 HA ARG A 21 4.746 -2.935 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.157 -2.901 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.922 -1.909 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.412 -4.727 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.876 -4.388 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.646 -3.068 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.704 -2.240 7.080 1.00 0.00 H new ATOM 0 HE ARG A 21 8.024 -4.591 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.085 -2.086 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.592 -3.007 8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.995 -6.100 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.541 -5.263 7.874 1.00 0.00 H new ATOM 317 N PRO A 22 2.259 -2.430 7.590 1.00 0.00 N ATOM 318 CA PRO A 22 0.919 -1.875 7.336 1.00 0.00 C ATOM 319 C PRO A 22 0.975 -0.439 6.837 1.00 0.00 C ATOM 320 O PRO A 22 1.493 0.439 7.491 1.00 0.00 O ATOM 321 CB PRO A 22 0.213 -1.986 8.692 1.00 0.00 C ATOM 322 CG PRO A 22 1.331 -2.099 9.750 1.00 0.00 C ATOM 323 CD PRO A 22 2.545 -2.695 9.017 1.00 0.00 C ATOM 0 HA PRO A 22 0.392 -2.411 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.413 -1.113 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.440 -2.858 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.570 -1.123 10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.022 -2.737 10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.475 -2.223 9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.647 -3.762 9.213 1.00 0.00 H new ATOM 331 N LEU A 23 0.432 -0.199 5.672 1.00 0.00 N ATOM 332 CA LEU A 23 0.433 1.175 5.116 1.00 0.00 C ATOM 333 C LEU A 23 -0.977 1.750 5.217 1.00 0.00 C ATOM 334 O LEU A 23 -1.925 1.190 4.704 1.00 0.00 O ATOM 335 CB LEU A 23 0.870 1.114 3.658 1.00 0.00 C ATOM 336 CG LEU A 23 2.161 0.304 3.575 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.038 -0.734 2.468 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.330 1.239 3.277 1.00 0.00 C ATOM 0 H LEU A 23 -0.013 -0.903 5.083 1.00 0.00 H new ATOM 0 HA LEU A 23 1.121 1.812 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.093 0.653 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.027 2.119 3.267 1.00 0.00 H new ATOM 0 HG LEU A 23 2.337 -0.201 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.960 -1.313 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.204 -1.401 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.862 -0.232 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.252 0.661 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.158 1.746 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.416 1.979 4.073 1.00 0.00 H new ATOM 350 N CYS A 24 -1.123 2.859 5.880 1.00 0.00 N ATOM 351 CA CYS A 24 -2.476 3.463 6.022 1.00 0.00 C ATOM 352 C CYS A 24 -2.827 4.206 4.736 1.00 0.00 C ATOM 353 O CYS A 24 -2.054 4.985 4.236 1.00 0.00 O ATOM 354 CB CYS A 24 -2.472 4.450 7.209 1.00 0.00 C ATOM 355 SG CYS A 24 -3.761 5.710 7.021 1.00 0.00 S ATOM 0 H CYS A 24 -0.366 3.374 6.330 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.214 2.682 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.627 3.904 8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.497 4.932 7.281 1.00 0.00 H new ATOM 360 N GLY A 25 -4.006 3.996 4.225 1.00 0.00 N ATOM 361 CA GLY A 25 -4.431 4.724 2.998 1.00 0.00 C ATOM 362 C GLY A 25 -4.538 6.214 3.355 1.00 0.00 C ATOM 363 O GLY A 25 -4.283 6.594 4.480 1.00 0.00 O ATOM 0 H GLY A 25 -4.697 3.349 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.710 4.574 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.389 4.346 2.641 1.00 0.00 H new ATOM 367 N SER A 26 -4.925 7.068 2.445 1.00 0.00 N ATOM 368 CA SER A 26 -5.043 8.506 2.825 1.00 0.00 C ATOM 369 C SER A 26 -6.464 8.785 3.314 1.00 0.00 C ATOM 370 O SER A 26 -6.838 9.916 3.558 1.00 0.00 O ATOM 371 CB SER A 26 -4.726 9.392 1.627 1.00 0.00 C ATOM 372 OG SER A 26 -5.080 10.735 1.928 1.00 0.00 O ATOM 0 H SER A 26 -5.159 6.841 1.479 1.00 0.00 H new ATOM 0 HA SER A 26 -4.333 8.727 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.665 9.329 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.274 9.047 0.750 1.00 0.00 H new ATOM 0 HG SER A 26 -5.493 10.773 2.816 1.00 0.00 H new ATOM 378 N ASP A 27 -7.258 7.761 3.462 1.00 0.00 N ATOM 379 CA ASP A 27 -8.654 7.960 3.938 1.00 0.00 C ATOM 380 C ASP A 27 -8.822 7.274 5.294 1.00 0.00 C ATOM 381 O ASP A 27 -9.604 7.705 6.113 1.00 0.00 O ATOM 382 CB ASP A 27 -9.626 7.343 2.931 1.00 0.00 C ATOM 383 CG ASP A 27 -9.083 5.992 2.461 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.369 5.001 3.113 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.388 5.972 1.458 1.00 0.00 O ATOM 0 H ASP A 27 -6.999 6.793 3.273 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.862 9.025 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.607 7.214 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.757 8.011 2.079 1.00 0.00 H new ATOM 390 N ASN A 28 -8.076 6.209 5.511 1.00 0.00 N ATOM 391 CA ASN A 28 -8.123 5.426 6.798 1.00 0.00 C ATOM 392 C ASN A 28 -8.234 3.933 6.478 1.00 0.00 C ATOM 393 O ASN A 28 -8.874 3.185 7.191 1.00 0.00 O ATOM 394 CB ASN A 28 -9.320 5.814 7.679 1.00 0.00 C ATOM 395 CG ASN A 28 -10.629 5.494 6.952 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.734 5.659 5.753 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.639 5.028 7.634 1.00 0.00 N ATOM 0 H ASN A 28 -7.416 5.839 4.827 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.207 5.653 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.277 5.273 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.277 6.877 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.514 4.803 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.554 4.888 8.641 1.00 0.00 H new ATOM 404 N LYS A 29 -7.623 3.485 5.413 1.00 0.00 N ATOM 405 CA LYS A 29 -7.706 2.040 5.064 1.00 0.00 C ATOM 406 C LYS A 29 -6.338 1.384 5.271 1.00 0.00 C ATOM 407 O LYS A 29 -5.462 1.471 4.435 1.00 0.00 O ATOM 408 CB LYS A 29 -8.127 1.899 3.601 1.00 0.00 C ATOM 409 CG LYS A 29 -9.110 0.734 3.462 1.00 0.00 C ATOM 410 CD LYS A 29 -9.939 0.917 2.190 1.00 0.00 C ATOM 411 CE LYS A 29 -10.774 -0.340 1.938 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.744 -0.521 3.052 1.00 0.00 N ATOM 0 H LYS A 29 -7.072 4.057 4.773 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.440 1.550 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.590 2.823 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.252 1.727 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.568 -0.211 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.764 0.690 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.591 1.785 2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.283 1.107 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.305 -0.253 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.125 -1.212 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.452 -1.234 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.239 -0.839 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.220 0.383 3.248 1.00 0.00 H new ATOM 426 N THR A 30 -6.151 0.729 6.384 1.00 0.00 N ATOM 427 CA THR A 30 -4.842 0.068 6.660 1.00 0.00 C ATOM 428 C THR A 30 -4.708 -1.202 5.811 1.00 0.00 C ATOM 429 O THR A 30 -5.622 -1.998 5.719 1.00 0.00 O ATOM 430 CB THR A 30 -4.773 -0.318 8.141 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.572 0.849 8.924 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.618 -1.300 8.372 1.00 0.00 C ATOM 0 H THR A 30 -6.851 0.622 7.118 1.00 0.00 H new ATOM 0 HA THR A 30 -4.035 0.758 6.413 1.00 0.00 H new ATOM 0 HB THR A 30 -5.709 -0.795 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.182 0.837 9.691 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.575 -1.570 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.778 -2.197 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.678 -0.832 8.079 1.00 0.00 H new ATOM 440 N TYR A 31 -3.567 -1.409 5.215 1.00 0.00 N ATOM 441 CA TYR A 31 -3.359 -2.638 4.401 1.00 0.00 C ATOM 442 C TYR A 31 -2.219 -3.435 5.029 1.00 0.00 C ATOM 443 O TYR A 31 -1.285 -2.871 5.560 1.00 0.00 O ATOM 444 CB TYR A 31 -3.023 -2.255 2.963 1.00 0.00 C ATOM 445 CG TYR A 31 -4.310 -1.951 2.226 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.904 -0.688 2.338 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.913 -2.937 1.437 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.097 -0.413 1.659 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.104 -2.661 0.759 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.697 -1.400 0.871 1.00 0.00 C ATOM 451 OH TYR A 31 -7.873 -1.128 0.201 1.00 0.00 O ATOM 0 H TYR A 31 -2.767 -0.777 5.257 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.264 -3.245 4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.365 -1.386 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.489 -3.068 2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.442 0.074 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.458 -3.913 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.554 0.562 1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.566 -3.422 0.148 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.095 -1.879 -0.388 1.00 0.00 H new ATOM 461 N GLY A 32 -2.304 -4.736 5.009 1.00 0.00 N ATOM 462 CA GLY A 32 -1.243 -5.562 5.652 1.00 0.00 C ATOM 463 C GLY A 32 0.155 -5.099 5.238 1.00 0.00 C ATOM 464 O GLY A 32 1.013 -4.900 6.075 1.00 0.00 O ATOM 0 H GLY A 32 -3.062 -5.263 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.341 -5.503 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.378 -6.608 5.377 1.00 0.00 H new ATOM 468 N ASN A 33 0.412 -4.934 3.970 1.00 0.00 N ATOM 469 CA ASN A 33 1.781 -4.495 3.571 1.00 0.00 C ATOM 470 C ASN A 33 1.750 -3.719 2.258 1.00 0.00 C ATOM 471 O ASN A 33 0.724 -3.245 1.822 1.00 0.00 O ATOM 472 CB ASN A 33 2.697 -5.713 3.429 1.00 0.00 C ATOM 473 CG ASN A 33 2.091 -6.711 2.446 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.007 -6.503 1.940 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.750 -7.797 2.158 1.00 0.00 N ATOM 0 H ASN A 33 -0.249 -5.080 3.207 1.00 0.00 H new ATOM 0 HA ASN A 33 2.166 -3.836 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.681 -5.399 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.838 -6.187 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.356 -8.475 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.660 -7.969 2.584 1.00 0.00 H new ATOM 482 N LYS A 34 2.892 -3.568 1.650 1.00 0.00 N ATOM 483 CA LYS A 34 2.997 -2.805 0.388 1.00 0.00 C ATOM 484 C LYS A 34 2.239 -3.495 -0.745 1.00 0.00 C ATOM 485 O LYS A 34 1.771 -2.845 -1.651 1.00 0.00 O ATOM 486 CB LYS A 34 4.473 -2.705 0.021 1.00 0.00 C ATOM 487 CG LYS A 34 5.162 -4.050 0.270 1.00 0.00 C ATOM 488 CD LYS A 34 6.123 -4.353 -0.881 1.00 0.00 C ATOM 489 CE LYS A 34 5.323 -4.729 -2.130 1.00 0.00 C ATOM 490 NZ LYS A 34 5.653 -6.126 -2.530 1.00 0.00 N ATOM 0 H LYS A 34 3.774 -3.953 1.987 1.00 0.00 H new ATOM 0 HA LYS A 34 2.558 -1.817 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.578 -2.420 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.952 -1.925 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.706 -4.022 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.418 -4.842 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.748 -3.484 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.791 -5.169 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.255 -4.639 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.555 -4.042 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.109 -6.382 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.670 -6.197 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.410 -6.776 -1.755 1.00 0.00 H new ATOM 504 N CYS A 35 2.126 -4.792 -0.729 1.00 0.00 N ATOM 505 CA CYS A 35 1.403 -5.469 -1.831 1.00 0.00 C ATOM 506 C CYS A 35 -0.103 -5.302 -1.637 1.00 0.00 C ATOM 507 O CYS A 35 -0.837 -5.070 -2.577 1.00 0.00 O ATOM 508 CB CYS A 35 1.759 -6.955 -1.849 1.00 0.00 C ATOM 509 SG CYS A 35 1.012 -7.739 -3.299 1.00 0.00 S ATOM 0 H CYS A 35 2.501 -5.406 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 35 1.696 -5.020 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.842 -7.080 -1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.402 -7.436 -0.938 1.00 0.00 H new ATOM 514 N ASN A 36 -0.570 -5.411 -0.427 1.00 0.00 N ATOM 515 CA ASN A 36 -2.028 -5.250 -0.179 1.00 0.00 C ATOM 516 C ASN A 36 -2.391 -3.764 -0.288 1.00 0.00 C ATOM 517 O ASN A 36 -3.499 -3.406 -0.631 1.00 0.00 O ATOM 518 CB ASN A 36 -2.362 -5.762 1.224 1.00 0.00 C ATOM 519 CG ASN A 36 -2.671 -7.259 1.159 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.797 -7.651 0.926 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.708 -8.115 1.356 1.00 0.00 N ATOM 0 H ASN A 36 -0.006 -5.604 0.401 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.597 -5.820 -0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.525 -5.581 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.218 -5.220 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.899 -9.116 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.763 -7.784 1.551 1.00 0.00 H new ATOM 528 N PHE A 37 -1.452 -2.903 -0.007 1.00 0.00 N ATOM 529 CA PHE A 37 -1.714 -1.437 -0.093 1.00 0.00 C ATOM 530 C PHE A 37 -1.542 -0.986 -1.512 1.00 0.00 C ATOM 531 O PHE A 37 -2.183 -0.073 -1.995 1.00 0.00 O ATOM 532 CB PHE A 37 -0.705 -0.687 0.765 1.00 0.00 C ATOM 533 CG PHE A 37 -1.172 0.727 0.906 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.217 1.080 1.757 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.551 1.683 0.115 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.640 2.413 1.816 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.958 3.009 0.166 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.005 3.383 1.016 1.00 0.00 C ATOM 0 H PHE A 37 -0.506 -3.154 0.281 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.728 -1.236 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.615 -1.157 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.283 -0.717 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.698 0.330 2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.254 1.394 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.450 2.697 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.468 3.750 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.326 4.413 1.058 1.00 0.00 H new ATOM 548 N CYS A 38 -0.668 -1.634 -2.174 1.00 0.00 N ATOM 549 CA CYS A 38 -0.410 -1.266 -3.584 1.00 0.00 C ATOM 550 C CYS A 38 -1.559 -1.790 -4.426 1.00 0.00 C ATOM 551 O CYS A 38 -1.930 -1.200 -5.414 1.00 0.00 O ATOM 552 CB CYS A 38 0.902 -1.871 -4.072 1.00 0.00 C ATOM 553 SG CYS A 38 2.262 -0.740 -3.690 1.00 0.00 S ATOM 0 H CYS A 38 -0.111 -2.408 -1.812 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.332 -0.182 -3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.071 -2.836 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.855 -2.052 -5.146 1.00 0.00 H new ATOM 558 N ASN A 39 -2.143 -2.884 -4.023 1.00 0.00 N ATOM 559 CA ASN A 39 -3.296 -3.426 -4.786 1.00 0.00 C ATOM 560 C ASN A 39 -4.423 -2.404 -4.696 1.00 0.00 C ATOM 561 O ASN A 39 -4.990 -1.997 -5.687 1.00 0.00 O ATOM 562 CB ASN A 39 -3.753 -4.749 -4.164 1.00 0.00 C ATOM 563 CG ASN A 39 -2.811 -5.876 -4.588 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.173 -5.796 -5.617 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.696 -6.931 -3.830 1.00 0.00 N ATOM 0 H ASN A 39 -1.871 -3.423 -3.201 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.019 -3.608 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.767 -4.664 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.771 -4.976 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.070 -7.689 -4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.232 -6.998 -2.965 1.00 0.00 H new ATOM 572 N ALA A 40 -4.732 -1.973 -3.503 1.00 0.00 N ATOM 573 CA ALA A 40 -5.807 -0.962 -3.322 1.00 0.00 C ATOM 574 C ALA A 40 -5.439 0.308 -4.096 1.00 0.00 C ATOM 575 O ALA A 40 -6.291 1.074 -4.498 1.00 0.00 O ATOM 576 CB ALA A 40 -5.935 -0.631 -1.836 1.00 0.00 C ATOM 0 H ALA A 40 -4.281 -2.281 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.753 -1.355 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.722 0.110 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.185 -1.536 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.990 -0.231 -1.470 1.00 0.00 H new ATOM 582 N VAL A 41 -4.169 0.540 -4.299 1.00 0.00 N ATOM 583 CA VAL A 41 -3.738 1.760 -5.039 1.00 0.00 C ATOM 584 C VAL A 41 -3.982 1.579 -6.538 1.00 0.00 C ATOM 585 O VAL A 41 -4.396 2.491 -7.225 1.00 0.00 O ATOM 586 CB VAL A 41 -2.242 1.986 -4.813 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.743 3.080 -5.761 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.000 2.406 -3.360 1.00 0.00 C ATOM 0 H VAL A 41 -3.411 -0.065 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.310 2.613 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.699 1.062 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.677 3.242 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.912 2.772 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.284 4.006 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.934 2.567 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.541 3.329 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.353 1.621 -2.691 1.00 0.00 H new ATOM 598 N VAL A 42 -3.704 0.415 -7.054 1.00 0.00 N ATOM 599 CA VAL A 42 -3.889 0.178 -8.501 1.00 0.00 C ATOM 600 C VAL A 42 -5.355 -0.160 -8.802 1.00 0.00 C ATOM 601 O VAL A 42 -5.786 -0.109 -9.936 1.00 0.00 O ATOM 602 CB VAL A 42 -2.976 -0.975 -8.918 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.189 -2.183 -8.001 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.290 -1.366 -10.351 1.00 0.00 C ATOM 0 H VAL A 42 -3.354 -0.385 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.632 1.076 -9.063 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.938 -0.653 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.532 -2.995 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.961 -1.904 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.227 -2.511 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.642 -2.188 -10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.331 -1.680 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.123 -0.511 -11.006 1.00 0.00 H new ATOM 614 N GLU A 43 -6.133 -0.479 -7.802 1.00 0.00 N ATOM 615 CA GLU A 43 -7.557 -0.787 -8.041 1.00 0.00 C ATOM 616 C GLU A 43 -8.355 0.508 -7.900 1.00 0.00 C ATOM 617 O GLU A 43 -9.465 0.628 -8.379 1.00 0.00 O ATOM 618 CB GLU A 43 -8.044 -1.797 -7.002 1.00 0.00 C ATOM 619 CG GLU A 43 -7.597 -1.395 -5.621 1.00 0.00 C ATOM 620 CD GLU A 43 -8.827 -1.194 -4.730 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.431 -0.137 -4.816 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.143 -2.102 -3.979 1.00 0.00 O ATOM 0 H GLU A 43 -5.834 -0.537 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.689 -1.209 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.132 -1.863 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.658 -2.788 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.949 -2.163 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.014 -0.476 -5.668 1.00 0.00 H new ATOM 629 N SER A 44 -7.789 1.477 -7.233 1.00 0.00 N ATOM 630 CA SER A 44 -8.497 2.773 -7.039 1.00 0.00 C ATOM 631 C SER A 44 -7.942 3.815 -8.015 1.00 0.00 C ATOM 632 O SER A 44 -8.482 4.891 -8.155 1.00 0.00 O ATOM 633 CB SER A 44 -8.277 3.252 -5.603 1.00 0.00 C ATOM 634 OG SER A 44 -6.883 3.272 -5.326 1.00 0.00 O ATOM 0 H SER A 44 -6.861 1.425 -6.812 1.00 0.00 H new ATOM 0 HA SER A 44 -9.563 2.639 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.701 4.247 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.790 2.591 -4.904 1.00 0.00 H new ATOM 0 HG SER A 44 -6.659 2.535 -4.720 1.00 0.00 H new ATOM 640 N ASN A 45 -6.863 3.496 -8.681 1.00 0.00 N ATOM 641 CA ASN A 45 -6.242 4.449 -9.652 1.00 0.00 C ATOM 642 C ASN A 45 -5.288 5.392 -8.911 1.00 0.00 C ATOM 643 O ASN A 45 -4.675 6.260 -9.498 1.00 0.00 O ATOM 644 CB ASN A 45 -7.334 5.231 -10.416 1.00 0.00 C ATOM 645 CG ASN A 45 -7.586 6.615 -9.797 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.318 6.840 -8.635 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.106 7.558 -10.538 1.00 0.00 N ATOM 0 H ASN A 45 -6.378 2.603 -8.593 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.665 3.890 -10.389 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.035 5.348 -11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.261 4.657 -10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.285 8.480 -10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.332 7.372 -11.515 1.00 0.00 H new ATOM 654 N GLY A 46 -5.151 5.218 -7.624 1.00 0.00 N ATOM 655 CA GLY A 46 -4.231 6.092 -6.844 1.00 0.00 C ATOM 656 C GLY A 46 -5.034 7.108 -6.037 1.00 0.00 C ATOM 657 O GLY A 46 -4.486 8.023 -5.453 1.00 0.00 O ATOM 0 H GLY A 46 -5.638 4.507 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.620 5.486 -6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.548 6.609 -7.519 1.00 0.00 H new ATOM 661 N THR A 47 -6.324 6.942 -5.976 1.00 0.00 N ATOM 662 CA THR A 47 -7.153 7.890 -5.173 1.00 0.00 C ATOM 663 C THR A 47 -7.043 7.502 -3.698 1.00 0.00 C ATOM 664 O THR A 47 -7.446 8.232 -2.814 1.00 0.00 O ATOM 665 CB THR A 47 -8.615 7.803 -5.606 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.065 6.462 -5.473 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.742 8.243 -7.060 1.00 0.00 C ATOM 0 H THR A 47 -6.841 6.197 -6.443 1.00 0.00 H new ATOM 0 HA THR A 47 -6.797 8.909 -5.328 1.00 0.00 H new ATOM 0 HB THR A 47 -9.222 8.455 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.004 6.403 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.785 8.181 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.394 9.271 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.137 7.592 -7.691 1.00 0.00 H new ATOM 675 N LEU A 48 -6.496 6.349 -3.437 1.00 0.00 N ATOM 676 CA LEU A 48 -6.341 5.877 -2.037 1.00 0.00 C ATOM 677 C LEU A 48 -5.131 6.571 -1.411 1.00 0.00 C ATOM 678 O LEU A 48 -5.254 7.373 -0.507 1.00 0.00 O ATOM 679 CB LEU A 48 -6.138 4.353 -2.074 1.00 0.00 C ATOM 680 CG LEU A 48 -5.312 3.877 -0.875 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.015 4.279 0.414 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.182 2.355 -0.928 1.00 0.00 C ATOM 0 H LEU A 48 -6.145 5.705 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.221 6.113 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.107 3.854 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.636 4.072 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.322 4.332 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.429 3.941 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.117 5.364 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.003 3.820 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.595 2.010 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.173 1.904 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.685 2.064 -1.853 1.00 0.00 H new ATOM 694 N THR A 49 -3.970 6.254 -1.888 1.00 0.00 N ATOM 695 CA THR A 49 -2.736 6.865 -1.347 1.00 0.00 C ATOM 696 C THR A 49 -2.672 6.558 0.143 1.00 0.00 C ATOM 697 O THR A 49 -3.582 5.979 0.685 1.00 0.00 O ATOM 698 CB THR A 49 -2.771 8.372 -1.592 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.589 8.993 -0.617 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.338 8.653 -2.985 1.00 0.00 C ATOM 0 H THR A 49 -3.821 5.585 -2.644 1.00 0.00 H new ATOM 0 HA THR A 49 -1.851 6.461 -1.838 1.00 0.00 H new ATOM 0 HB THR A 49 -1.759 8.771 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.532 8.861 -0.849 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.362 9.729 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.707 8.179 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.349 8.252 -3.054 1.00 0.00 H new ATOM 708 N LEU A 50 -1.605 6.889 0.808 1.00 0.00 N ATOM 709 CA LEU A 50 -1.514 6.559 2.244 1.00 0.00 C ATOM 710 C LEU A 50 -1.294 7.827 3.073 1.00 0.00 C ATOM 711 O LEU A 50 -0.846 8.844 2.581 1.00 0.00 O ATOM 712 CB LEU A 50 -0.376 5.539 2.391 1.00 0.00 C ATOM 713 CG LEU A 50 0.621 5.919 3.481 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.113 4.635 4.111 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.804 6.667 2.858 1.00 0.00 C ATOM 0 H LEU A 50 -0.796 7.372 0.417 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.439 6.124 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.799 4.560 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.149 5.448 1.440 1.00 0.00 H new ATOM 0 HG LEU A 50 0.152 6.563 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.830 4.867 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.269 4.093 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.594 4.018 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.515 6.938 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.295 6.026 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.445 7.571 2.366 1.00 0.00 H new ATOM 727 N SER A 51 -1.624 7.758 4.335 1.00 0.00 N ATOM 728 CA SER A 51 -1.474 8.892 5.228 1.00 0.00 C ATOM 729 C SER A 51 -0.128 8.780 5.945 1.00 0.00 C ATOM 730 O SER A 51 0.696 9.672 5.911 1.00 0.00 O ATOM 731 CB SER A 51 -2.591 8.820 6.267 1.00 0.00 C ATOM 732 OG SER A 51 -2.234 7.949 7.300 1.00 0.00 O ATOM 0 H SER A 51 -2.003 6.921 4.778 1.00 0.00 H new ATOM 0 HA SER A 51 -1.521 9.829 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.787 9.813 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.514 8.479 5.797 1.00 0.00 H new ATOM 0 HG SER A 51 -3.019 7.432 7.578 1.00 0.00 H new ATOM 738 N HIS A 52 0.079 7.674 6.599 1.00 0.00 N ATOM 739 CA HIS A 52 1.343 7.442 7.345 1.00 0.00 C ATOM 740 C HIS A 52 1.765 5.982 7.155 1.00 0.00 C ATOM 741 O HIS A 52 0.939 5.120 6.921 1.00 0.00 O ATOM 742 CB HIS A 52 1.092 7.692 8.836 1.00 0.00 C ATOM 743 CG HIS A 52 0.224 6.581 9.375 1.00 0.00 C ATOM 744 ND1 HIS A 52 -1.072 6.215 9.106 1.00 0.00 N flip ATOM 745 CD2 HIS A 52 0.696 5.644 10.280 1.00 0.00 C flip ATOM 746 CE1 HIS A 52 -1.399 5.076 9.825 1.00 0.00 C flip ATOM 747 NE2 HIS A 52 -0.302 4.771 10.512 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.589 6.905 6.648 1.00 0.00 H new ATOM 0 HA HIS A 52 2.122 8.111 6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.037 7.729 9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.604 8.656 8.980 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.700 6.708 8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.683 5.619 10.718 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.342 4.549 9.827 1.00 0.00 H new ATOM 755 N PHE A 53 3.027 5.683 7.275 1.00 0.00 N ATOM 756 CA PHE A 53 3.448 4.268 7.123 1.00 0.00 C ATOM 757 C PHE A 53 3.134 3.523 8.416 1.00 0.00 C ATOM 758 O PHE A 53 3.741 3.751 9.444 1.00 0.00 O ATOM 759 CB PHE A 53 4.942 4.194 6.840 1.00 0.00 C ATOM 760 CG PHE A 53 5.204 4.721 5.452 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.249 6.101 5.227 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.391 3.831 4.386 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.484 6.593 3.939 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.623 4.323 3.097 1.00 0.00 C ATOM 765 CZ PHE A 53 5.670 5.705 2.873 1.00 0.00 C ATOM 0 H PHE A 53 3.775 6.349 7.469 1.00 0.00 H new ATOM 0 HA PHE A 53 2.912 3.814 6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.494 4.779 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.291 3.165 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.102 6.787 6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.356 2.766 4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.522 7.659 3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.766 3.637 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.850 6.085 1.878 1.00 0.00 H new ATOM 775 N GLY A 54 2.177 2.647 8.373 1.00 0.00 N ATOM 776 CA GLY A 54 1.794 1.892 9.586 1.00 0.00 C ATOM 777 C GLY A 54 0.316 1.530 9.488 1.00 0.00 C ATOM 778 O GLY A 54 -0.341 1.803 8.502 1.00 0.00 O ATOM 0 H GLY A 54 1.638 2.420 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.399 0.990 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.978 2.491 10.478 1.00 0.00 H new ATOM 782 N LYS A 55 -0.204 0.920 10.500 1.00 0.00 N ATOM 783 CA LYS A 55 -1.648 0.530 10.482 1.00 0.00 C ATOM 784 C LYS A 55 -2.503 1.716 10.938 1.00 0.00 C ATOM 785 O LYS A 55 -2.629 1.982 12.115 1.00 0.00 O ATOM 786 CB LYS A 55 -1.913 -0.669 11.413 1.00 0.00 C ATOM 787 CG LYS A 55 -0.717 -0.921 12.335 1.00 0.00 C ATOM 788 CD LYS A 55 -1.044 -2.060 13.304 1.00 0.00 C ATOM 789 CE LYS A 55 -1.774 -1.498 14.526 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.008 -1.832 15.759 1.00 0.00 N ATOM 0 H LYS A 55 0.302 0.668 11.349 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.910 0.244 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.804 -0.480 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.112 -1.560 10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.163 -1.175 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.477 -0.015 12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.665 -2.806 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.128 -2.562 13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.882 -0.417 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.780 -1.915 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.504 -1.450 16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.927 -2.865 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.057 -1.414 15.701 1.00 0.00 H new ATOM 804 N CYS A 56 -3.093 2.422 10.010 1.00 0.00 N ATOM 805 CA CYS A 56 -3.948 3.589 10.378 1.00 0.00 C ATOM 806 C CYS A 56 -4.798 3.238 11.602 1.00 0.00 C ATOM 807 O CYS A 56 -4.731 3.970 12.575 1.00 0.00 O ATOM 808 CB CYS A 56 -4.870 3.935 9.206 1.00 0.00 C ATOM 809 SG CYS A 56 -4.711 5.694 8.804 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.503 2.243 11.543 1.00 0.00 O ATOM 0 H CYS A 56 -3.019 2.240 9.009 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.312 4.443 10.609 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.613 3.329 8.337 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.904 3.703 9.463 1.00 0.00 H new TER 815 CYS A 56