USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 455 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 10 THR OG1 : rot 73:sc= 0.169 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -2.65! (180deg=-2.79) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0386 (180deg=-0.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 89:sc= 0.778 USER MOD Single : A 28 ASN :FLIP amide:sc= -6.05! C(o=-8!,f=-6!) USER MOD Single : A 29 THR OG1 : rot -49:sc= -0.634 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.415 USER MOD Single : A 39 CYS SG : rot 150:sc= -5.25! USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= -1.9 (180deg=-2.25) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= -0.729! (180deg=-2.12!) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.136 (180deg=-0.842) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 8.924 10.322 14.300 1.00 0.00 N ATOM 2 CA GLY A 9 10.137 9.510 14.264 1.00 0.00 C ATOM 3 C GLY A 9 10.196 8.679 12.987 1.00 0.00 C ATOM 4 O GLY A 9 9.204 8.074 12.582 1.00 0.00 O ATOM 0 HA2 GLY A 9 11.014 10.155 14.324 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.165 8.852 15.133 1.00 0.00 H new ATOM 8 N THR A 10 11.366 8.657 12.358 1.00 0.00 N ATOM 9 CA THR A 10 11.542 7.898 11.125 1.00 0.00 C ATOM 10 C THR A 10 11.279 6.413 11.370 1.00 0.00 C ATOM 11 O THR A 10 11.946 5.782 12.191 1.00 0.00 O ATOM 12 CB THR A 10 12.970 8.097 10.590 1.00 0.00 C ATOM 13 OG1 THR A 10 13.697 8.918 11.492 1.00 0.00 O ATOM 14 CG2 THR A 10 12.923 8.770 9.214 1.00 0.00 C ATOM 0 H THR A 10 12.199 9.151 12.677 1.00 0.00 H new ATOM 0 HA THR A 10 10.828 8.260 10.386 1.00 0.00 H new ATOM 0 HB THR A 10 13.459 7.127 10.497 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.911 8.407 12.300 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.938 8.908 8.841 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.364 8.142 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.433 9.740 9.300 1.00 0.00 H new ATOM 22 N LYS A 11 10.302 5.865 10.655 1.00 0.00 N ATOM 23 CA LYS A 11 9.956 4.456 10.801 1.00 0.00 C ATOM 24 C LYS A 11 10.794 3.597 9.858 1.00 0.00 C ATOM 25 O LYS A 11 11.793 4.057 9.306 1.00 0.00 O ATOM 26 CB LYS A 11 8.469 4.249 10.495 1.00 0.00 C ATOM 27 CG LYS A 11 7.619 5.062 11.481 1.00 0.00 C ATOM 28 CD LYS A 11 7.366 4.244 12.756 1.00 0.00 C ATOM 29 CE LYS A 11 6.061 3.454 12.616 1.00 0.00 C ATOM 30 NZ LYS A 11 5.939 2.930 11.226 1.00 0.00 N ATOM 0 H LYS A 11 9.739 6.372 9.972 1.00 0.00 H new ATOM 0 HA LYS A 11 10.162 4.156 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.252 4.558 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.217 3.191 10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.128 5.993 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.670 5.333 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.198 3.562 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.309 4.907 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.045 2.629 13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.210 4.094 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.078 2.352 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.884 3.726 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.770 2.346 11.001 1.00 0.00 H new ATOM 44 N LYS A 12 10.380 2.347 9.680 1.00 0.00 N ATOM 45 CA LYS A 12 11.099 1.430 8.803 1.00 0.00 C ATOM 46 C LYS A 12 10.831 1.767 7.340 1.00 0.00 C ATOM 47 O LYS A 12 11.755 2.065 6.582 1.00 0.00 O ATOM 48 CB LYS A 12 10.661 -0.012 9.084 1.00 0.00 C ATOM 49 CG LYS A 12 11.098 -0.423 10.497 1.00 0.00 C ATOM 50 CD LYS A 12 12.510 -1.025 10.455 1.00 0.00 C ATOM 51 CE LYS A 12 12.448 -2.483 9.984 1.00 0.00 C ATOM 52 NZ LYS A 12 13.692 -3.191 10.402 1.00 0.00 N ATOM 0 H LYS A 12 9.556 1.947 10.128 1.00 0.00 H new ATOM 0 HA LYS A 12 12.167 1.532 8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.579 -0.098 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.100 -0.685 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.083 0.444 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.396 -1.149 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.141 -0.444 9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.965 -0.973 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.575 -2.977 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.340 -2.522 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.652 -4.180 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.517 -2.723 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.775 -3.164 11.438 1.00 0.00 H new ATOM 66 N TYR A 13 9.561 1.715 6.950 1.00 0.00 N ATOM 67 CA TYR A 13 9.172 2.015 5.573 1.00 0.00 C ATOM 68 C TYR A 13 8.073 3.073 5.550 1.00 0.00 C ATOM 69 O TYR A 13 7.225 3.122 6.441 1.00 0.00 O ATOM 70 CB TYR A 13 8.676 0.737 4.881 1.00 0.00 C ATOM 71 CG TYR A 13 9.817 0.088 4.129 1.00 0.00 C ATOM 72 CD1 TYR A 13 10.903 -0.450 4.829 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.789 0.031 2.730 1.00 0.00 C ATOM 74 CE1 TYR A 13 11.959 -1.046 4.131 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.845 -0.565 2.033 1.00 0.00 C ATOM 76 CZ TYR A 13 11.931 -1.104 2.733 1.00 0.00 C ATOM 77 OH TYR A 13 12.973 -1.692 2.045 1.00 0.00 O ATOM 0 H TYR A 13 8.785 1.469 7.564 1.00 0.00 H new ATOM 0 HA TYR A 13 10.042 2.400 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.274 0.044 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.864 0.976 4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.926 -0.405 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.952 0.447 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.797 -1.462 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.823 -0.609 0.954 1.00 0.00 H new ATOM 0 HH TYR A 13 12.795 -1.649 1.082 1.00 0.00 H new ATOM 87 N ASP A 14 8.096 3.920 4.524 1.00 0.00 N ATOM 88 CA ASP A 14 7.099 4.977 4.389 1.00 0.00 C ATOM 89 C ASP A 14 6.598 5.058 2.951 1.00 0.00 C ATOM 90 O ASP A 14 7.340 5.440 2.046 1.00 0.00 O ATOM 91 CB ASP A 14 7.706 6.321 4.795 1.00 0.00 C ATOM 92 CG ASP A 14 6.604 7.361 4.966 1.00 0.00 C ATOM 93 OD1 ASP A 14 5.557 7.189 4.363 1.00 0.00 O ATOM 94 OD2 ASP A 14 6.823 8.313 5.696 1.00 0.00 O ATOM 0 H ASP A 14 8.791 3.895 3.778 1.00 0.00 H new ATOM 0 HA ASP A 14 6.259 4.745 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.262 6.212 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.416 6.653 4.037 1.00 0.00 H new ATOM 99 N LEU A 15 5.334 4.698 2.751 1.00 0.00 N ATOM 100 CA LEU A 15 4.733 4.732 1.420 1.00 0.00 C ATOM 101 C LEU A 15 3.444 5.545 1.448 1.00 0.00 C ATOM 102 O LEU A 15 2.365 5.022 1.175 1.00 0.00 O ATOM 103 CB LEU A 15 4.425 3.308 0.940 1.00 0.00 C ATOM 104 CG LEU A 15 5.640 2.399 1.159 1.00 0.00 C ATOM 105 CD1 LEU A 15 5.208 0.938 1.032 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.711 2.701 0.107 1.00 0.00 C ATOM 0 H LEU A 15 4.707 4.380 3.490 1.00 0.00 H new ATOM 0 HA LEU A 15 5.440 5.198 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.565 2.913 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.159 3.323 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 15 6.049 2.579 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.070 0.289 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.448 0.717 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.798 0.765 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.572 2.052 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.304 2.524 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.021 3.743 0.192 1.00 0.00 H new ATOM 118 N SER A 16 3.567 6.829 1.787 1.00 0.00 N ATOM 119 CA SER A 16 2.403 7.712 1.852 1.00 0.00 C ATOM 120 C SER A 16 1.400 7.361 0.758 1.00 0.00 C ATOM 121 O SER A 16 0.218 7.148 1.031 1.00 0.00 O ATOM 122 CB SER A 16 2.846 9.166 1.695 1.00 0.00 C ATOM 123 OG SER A 16 1.779 9.925 1.138 1.00 0.00 O ATOM 0 H SER A 16 4.453 7.277 2.019 1.00 0.00 H new ATOM 0 HA SER A 16 1.923 7.580 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.134 9.577 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.723 9.223 1.051 1.00 0.00 H new ATOM 0 HG SER A 16 2.059 10.859 1.037 1.00 0.00 H new ATOM 129 N LYS A 17 1.882 7.294 -0.477 1.00 0.00 N ATOM 130 CA LYS A 17 1.027 6.955 -1.604 1.00 0.00 C ATOM 131 C LYS A 17 1.881 6.577 -2.807 1.00 0.00 C ATOM 132 O LYS A 17 2.786 7.316 -3.195 1.00 0.00 O ATOM 133 CB LYS A 17 0.128 8.146 -1.956 1.00 0.00 C ATOM 134 CG LYS A 17 -0.686 7.836 -3.218 1.00 0.00 C ATOM 135 CD LYS A 17 -1.466 6.529 -3.028 1.00 0.00 C ATOM 136 CE LYS A 17 -2.666 6.505 -3.977 1.00 0.00 C ATOM 137 NZ LYS A 17 -3.432 5.242 -3.773 1.00 0.00 N ATOM 0 H LYS A 17 2.857 7.469 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 17 0.400 6.106 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.543 8.363 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.736 9.036 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.375 8.654 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.022 7.752 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.818 5.675 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.804 6.442 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.308 7.367 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.328 6.576 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.248 5.223 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.817 4.427 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.766 5.194 -2.789 1.00 0.00 H new ATOM 151 N TRP A 18 1.588 5.420 -3.392 1.00 0.00 N ATOM 152 CA TRP A 18 2.335 4.938 -4.551 1.00 0.00 C ATOM 153 C TRP A 18 1.387 4.726 -5.730 1.00 0.00 C ATOM 154 O TRP A 18 0.168 4.679 -5.555 1.00 0.00 O ATOM 155 CB TRP A 18 3.025 3.609 -4.202 1.00 0.00 C ATOM 156 CG TRP A 18 4.420 3.849 -3.705 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.806 4.868 -2.902 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.619 3.059 -3.960 1.00 0.00 C ATOM 159 NE1 TRP A 18 6.161 4.756 -2.654 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.708 3.658 -3.284 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.864 1.894 -4.708 1.00 0.00 C ATOM 162 CZ2 TRP A 18 7.994 3.119 -3.347 1.00 0.00 C ATOM 163 CZ3 TRP A 18 7.156 1.349 -4.772 1.00 0.00 C ATOM 164 CH2 TRP A 18 8.219 1.960 -4.094 1.00 0.00 C ATOM 0 H TRP A 18 0.840 4.799 -3.084 1.00 0.00 H new ATOM 0 HA TRP A 18 3.087 5.679 -4.825 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.448 3.083 -3.441 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.053 2.966 -5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.160 5.643 -2.517 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.692 5.407 -2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.053 1.415 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.809 3.595 -2.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.332 0.452 -5.348 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.211 1.536 -4.149 1.00 0.00 H new ATOM 175 N LYS A 19 1.950 4.592 -6.928 1.00 0.00 N ATOM 176 CA LYS A 19 1.139 4.381 -8.123 1.00 0.00 C ATOM 177 C LYS A 19 1.124 2.902 -8.502 1.00 0.00 C ATOM 178 O LYS A 19 1.958 2.124 -8.039 1.00 0.00 O ATOM 179 CB LYS A 19 1.691 5.209 -9.288 1.00 0.00 C ATOM 180 CG LYS A 19 2.117 6.588 -8.780 1.00 0.00 C ATOM 181 CD LYS A 19 0.927 7.276 -8.107 1.00 0.00 C ATOM 182 CE LYS A 19 1.238 8.761 -7.910 1.00 0.00 C ATOM 183 NZ LYS A 19 2.566 8.908 -7.251 1.00 0.00 N ATOM 0 H LYS A 19 2.955 4.625 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 19 0.119 4.700 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.541 4.698 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.933 5.314 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.940 6.488 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.481 7.196 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.033 7.159 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.719 6.807 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.239 9.274 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.464 9.228 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.648 9.862 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.659 8.200 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.320 8.765 -7.953 1.00 0.00 H new ATOM 197 N TYR A 20 0.168 2.520 -9.343 1.00 0.00 N ATOM 198 CA TYR A 20 0.054 1.130 -9.772 1.00 0.00 C ATOM 199 C TYR A 20 1.268 0.717 -10.597 1.00 0.00 C ATOM 200 O TYR A 20 1.767 -0.403 -10.473 1.00 0.00 O ATOM 201 CB TYR A 20 -1.216 0.945 -10.607 1.00 0.00 C ATOM 202 CG TYR A 20 -1.377 -0.512 -10.967 1.00 0.00 C ATOM 203 CD1 TYR A 20 -0.736 -1.028 -12.100 1.00 0.00 C ATOM 204 CD2 TYR A 20 -2.167 -1.348 -10.168 1.00 0.00 C ATOM 205 CE1 TYR A 20 -0.885 -2.380 -12.434 1.00 0.00 C ATOM 206 CE2 TYR A 20 -2.316 -2.699 -10.503 1.00 0.00 C ATOM 207 CZ TYR A 20 -1.675 -3.214 -11.635 1.00 0.00 C ATOM 208 OH TYR A 20 -1.821 -4.547 -11.965 1.00 0.00 O ATOM 0 H TYR A 20 -0.533 3.147 -9.738 1.00 0.00 H new ATOM 0 HA TYR A 20 0.004 0.501 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.085 1.290 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.160 1.550 -11.512 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.127 -0.383 -12.716 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.661 -0.951 -9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.391 -2.779 -13.308 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.926 -3.344 -9.888 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.400 -4.985 -11.307 1.00 0.00 H new ATOM 218 N ALA A 21 1.736 1.629 -11.442 1.00 0.00 N ATOM 219 CA ALA A 21 2.890 1.354 -12.293 1.00 0.00 C ATOM 220 C ALA A 21 4.120 1.011 -11.458 1.00 0.00 C ATOM 221 O ALA A 21 4.709 -0.059 -11.615 1.00 0.00 O ATOM 222 CB ALA A 21 3.191 2.570 -13.169 1.00 0.00 C ATOM 0 H ALA A 21 1.337 2.561 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 21 2.650 0.497 -12.922 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.053 2.358 -13.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.327 2.790 -13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.408 3.430 -12.535 1.00 0.00 H new ATOM 228 N GLU A 22 4.511 1.927 -10.575 1.00 0.00 N ATOM 229 CA GLU A 22 5.681 1.707 -9.733 1.00 0.00 C ATOM 230 C GLU A 22 5.467 0.514 -8.806 1.00 0.00 C ATOM 231 O GLU A 22 6.398 -0.244 -8.536 1.00 0.00 O ATOM 232 CB GLU A 22 5.977 2.958 -8.905 1.00 0.00 C ATOM 233 CG GLU A 22 4.788 3.265 -7.995 1.00 0.00 C ATOM 234 CD GLU A 22 4.967 4.634 -7.348 1.00 0.00 C ATOM 235 OE1 GLU A 22 5.210 5.584 -8.075 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.859 4.714 -6.135 1.00 0.00 O ATOM 0 H GLU A 22 4.040 2.819 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 22 6.531 1.495 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.876 2.806 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.172 3.804 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.863 3.244 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.701 2.498 -7.225 1.00 0.00 H new ATOM 243 N LEU A 23 4.241 0.351 -8.319 1.00 0.00 N ATOM 244 CA LEU A 23 3.937 -0.760 -7.423 1.00 0.00 C ATOM 245 C LEU A 23 4.294 -2.087 -8.085 1.00 0.00 C ATOM 246 O LEU A 23 5.070 -2.873 -7.543 1.00 0.00 O ATOM 247 CB LEU A 23 2.443 -0.752 -7.064 1.00 0.00 C ATOM 248 CG LEU A 23 2.227 -0.077 -5.703 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.783 0.423 -5.601 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.491 -1.085 -4.580 1.00 0.00 C ATOM 0 H LEU A 23 3.452 0.964 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 23 4.528 -0.645 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.880 -0.224 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.063 -1.773 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 23 2.914 0.764 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.631 0.902 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.590 1.143 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.098 -0.419 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.337 -0.603 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.806 -1.927 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.518 -1.443 -4.647 1.00 0.00 H new ATOM 262 N ARG A 24 3.726 -2.328 -9.262 1.00 0.00 N ATOM 263 CA ARG A 24 3.989 -3.564 -9.988 1.00 0.00 C ATOM 264 C ARG A 24 5.469 -3.684 -10.333 1.00 0.00 C ATOM 265 O ARG A 24 6.098 -4.711 -10.074 1.00 0.00 O ATOM 266 CB ARG A 24 3.162 -3.600 -11.274 1.00 0.00 C ATOM 267 CG ARG A 24 3.192 -5.011 -11.864 1.00 0.00 C ATOM 268 CD ARG A 24 2.635 -4.981 -13.288 1.00 0.00 C ATOM 269 NE ARG A 24 2.598 -6.330 -13.844 1.00 0.00 N ATOM 270 CZ ARG A 24 2.453 -6.530 -15.151 1.00 0.00 C ATOM 271 NH1 ARG A 24 2.339 -5.511 -15.957 1.00 0.00 N ATOM 272 NH2 ARG A 24 2.422 -7.745 -15.624 1.00 0.00 N ATOM 0 H ARG A 24 3.085 -1.688 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 24 3.709 -4.401 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.134 -3.304 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.560 -2.885 -11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.213 -5.393 -11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.602 -5.688 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.632 -4.554 -13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.254 -4.338 -13.915 1.00 0.00 H new ATOM 0 HE ARG A 24 2.685 -7.132 -13.220 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.361 -4.562 -15.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.228 -5.664 -16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.509 -8.541 -14.992 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.311 -7.899 -16.626 1.00 0.00 H new ATOM 286 N ASP A 25 6.021 -2.631 -10.922 1.00 0.00 N ATOM 287 CA ASP A 25 7.427 -2.637 -11.304 1.00 0.00 C ATOM 288 C ASP A 25 8.316 -2.944 -10.103 1.00 0.00 C ATOM 289 O ASP A 25 9.136 -3.860 -10.145 1.00 0.00 O ATOM 290 CB ASP A 25 7.811 -1.279 -11.891 1.00 0.00 C ATOM 291 CG ASP A 25 9.155 -1.382 -12.607 1.00 0.00 C ATOM 292 OD1 ASP A 25 9.167 -1.830 -13.742 1.00 0.00 O ATOM 293 OD2 ASP A 25 10.152 -1.012 -12.009 1.00 0.00 O ATOM 0 H ASP A 25 5.522 -1.769 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 25 7.574 -3.415 -12.053 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.043 -0.944 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.868 -0.534 -11.098 1.00 0.00 H new ATOM 298 N THR A 26 8.153 -2.171 -9.036 1.00 0.00 N ATOM 299 CA THR A 26 8.955 -2.366 -7.834 1.00 0.00 C ATOM 300 C THR A 26 8.788 -3.776 -7.276 1.00 0.00 C ATOM 301 O THR A 26 9.736 -4.354 -6.744 1.00 0.00 O ATOM 302 CB THR A 26 8.559 -1.348 -6.766 1.00 0.00 C ATOM 303 OG1 THR A 26 8.435 -0.063 -7.362 1.00 0.00 O ATOM 304 CG2 THR A 26 9.632 -1.309 -5.679 1.00 0.00 C ATOM 0 H THR A 26 7.478 -1.409 -8.978 1.00 0.00 H new ATOM 0 HA THR A 26 10.001 -2.225 -8.108 1.00 0.00 H new ATOM 0 HB THR A 26 7.606 -1.635 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.517 0.063 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.351 -0.583 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.725 -2.295 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.586 -1.021 -6.120 1.00 0.00 H new ATOM 312 N ILE A 27 7.582 -4.327 -7.388 1.00 0.00 N ATOM 313 CA ILE A 27 7.328 -5.670 -6.871 1.00 0.00 C ATOM 314 C ILE A 27 7.879 -6.731 -7.824 1.00 0.00 C ATOM 315 O ILE A 27 8.123 -7.867 -7.422 1.00 0.00 O ATOM 316 CB ILE A 27 5.814 -5.871 -6.646 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.580 -6.476 -5.254 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.222 -6.805 -7.712 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.101 -6.836 -5.086 1.00 0.00 C ATOM 0 H ILE A 27 6.778 -3.875 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 27 7.841 -5.779 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 27 5.321 -4.901 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.197 -7.365 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.881 -5.766 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.154 -6.931 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.375 -6.372 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.716 -7.775 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.941 -7.265 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.493 -5.938 -5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.815 -7.562 -5.847 1.00 0.00 H new ATOM 331 N ASN A 28 8.067 -6.355 -9.088 1.00 0.00 N ATOM 332 CA ASN A 28 8.583 -7.293 -10.084 1.00 0.00 C ATOM 333 C ASN A 28 10.043 -6.985 -10.422 1.00 0.00 C ATOM 334 O ASN A 28 10.668 -7.704 -11.203 1.00 0.00 O ATOM 335 CB ASN A 28 7.716 -7.234 -11.354 1.00 0.00 C ATOM 336 CG ASN A 28 8.454 -6.521 -12.485 1.00 0.00 C ATOM 337 OD1 ASN A 28 8.919 -5.321 -12.288 1.00 0.00 O flip ATOM 338 ND2 ASN A 28 8.609 -7.075 -13.573 1.00 0.00 N flip ATOM 0 H ASN A 28 7.873 -5.419 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 28 8.540 -8.299 -9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.453 -8.244 -11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.783 -6.714 -11.138 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.243 -8.015 -13.723 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.103 -6.594 -14.324 1.00 0.00 H new ATOM 345 N THR A 29 10.583 -5.922 -9.828 1.00 0.00 N ATOM 346 CA THR A 29 11.975 -5.541 -10.073 1.00 0.00 C ATOM 347 C THR A 29 12.785 -5.635 -8.787 1.00 0.00 C ATOM 348 O THR A 29 13.869 -6.221 -8.764 1.00 0.00 O ATOM 349 CB THR A 29 12.050 -4.109 -10.618 1.00 0.00 C ATOM 350 OG1 THR A 29 11.332 -3.241 -9.752 1.00 0.00 O ATOM 351 CG2 THR A 29 11.447 -4.043 -12.028 1.00 0.00 C ATOM 0 H THR A 29 10.084 -5.313 -9.179 1.00 0.00 H new ATOM 0 HA THR A 29 12.391 -6.228 -10.810 1.00 0.00 H new ATOM 0 HB THR A 29 13.094 -3.801 -10.669 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.450 -3.624 -9.562 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.507 -3.021 -12.402 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.002 -4.706 -12.692 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.403 -4.356 -11.992 1.00 0.00 H new ATOM 359 N SER A 30 12.251 -5.059 -7.716 1.00 0.00 N ATOM 360 CA SER A 30 12.930 -5.086 -6.426 1.00 0.00 C ATOM 361 C SER A 30 12.473 -6.296 -5.618 1.00 0.00 C ATOM 362 O SER A 30 11.502 -6.962 -5.978 1.00 0.00 O ATOM 363 CB SER A 30 12.631 -3.796 -5.654 1.00 0.00 C ATOM 364 OG SER A 30 13.727 -2.901 -5.795 1.00 0.00 O ATOM 0 H SER A 30 11.356 -4.571 -7.715 1.00 0.00 H new ATOM 0 HA SER A 30 14.005 -5.161 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.719 -3.335 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.462 -4.019 -4.601 1.00 0.00 H new ATOM 0 HG SER A 30 13.539 -2.074 -5.304 1.00 0.00 H new ATOM 370 N CYS A 31 13.176 -6.577 -4.527 1.00 0.00 N ATOM 371 CA CYS A 31 12.825 -7.713 -3.681 1.00 0.00 C ATOM 372 C CYS A 31 13.387 -7.535 -2.277 1.00 0.00 C ATOM 373 O CYS A 31 14.592 -7.363 -2.094 1.00 0.00 O ATOM 374 CB CYS A 31 13.372 -9.005 -4.292 1.00 0.00 C ATOM 375 SG CYS A 31 12.673 -10.428 -3.418 1.00 0.00 S ATOM 0 H CYS A 31 13.984 -6.041 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 31 11.738 -7.770 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.119 -9.055 -5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.460 -9.021 -4.223 1.00 0.00 H new ATOM 0 HG CYS A 31 13.135 -11.526 -3.938 1.00 0.00 H new ATOM 381 N ASP A 32 12.503 -7.586 -1.286 1.00 0.00 N ATOM 382 CA ASP A 32 12.911 -7.437 0.105 1.00 0.00 C ATOM 383 C ASP A 32 11.717 -7.667 1.027 1.00 0.00 C ATOM 384 O ASP A 32 10.644 -7.104 0.815 1.00 0.00 O ATOM 385 CB ASP A 32 13.490 -6.036 0.343 1.00 0.00 C ATOM 386 CG ASP A 32 14.628 -6.099 1.359 1.00 0.00 C ATOM 387 OD1 ASP A 32 15.640 -6.704 1.048 1.00 0.00 O ATOM 388 OD2 ASP A 32 14.467 -5.543 2.433 1.00 0.00 O ATOM 0 H ASP A 32 11.502 -7.729 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 32 13.680 -8.178 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.855 -5.621 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.708 -5.368 0.704 1.00 0.00 H new ATOM 393 N ILE A 33 11.909 -8.498 2.044 1.00 0.00 N ATOM 394 CA ILE A 33 10.838 -8.794 2.990 1.00 0.00 C ATOM 395 C ILE A 33 10.020 -7.540 3.287 1.00 0.00 C ATOM 396 O ILE A 33 8.799 -7.602 3.428 1.00 0.00 O ATOM 397 CB ILE A 33 11.431 -9.340 4.295 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.694 -8.543 4.660 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.791 -10.819 4.115 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.852 -8.489 6.181 1.00 0.00 C ATOM 0 H ILE A 33 12.789 -8.976 2.235 1.00 0.00 H new ATOM 0 HA ILE A 33 10.183 -9.543 2.545 1.00 0.00 H new ATOM 0 HB ILE A 33 10.698 -9.241 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.571 -9.008 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.627 -7.533 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.212 -11.206 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.894 -11.383 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.523 -10.920 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.749 -7.923 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.981 -8.004 6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.940 -9.502 6.574 1.00 0.00 H new ATOM 412 N GLU A 34 10.705 -6.404 3.383 1.00 0.00 N ATOM 413 CA GLU A 34 10.035 -5.141 3.671 1.00 0.00 C ATOM 414 C GLU A 34 9.299 -4.620 2.437 1.00 0.00 C ATOM 415 O GLU A 34 8.113 -4.297 2.505 1.00 0.00 O ATOM 416 CB GLU A 34 11.063 -4.103 4.138 1.00 0.00 C ATOM 417 CG GLU A 34 12.201 -4.805 4.883 1.00 0.00 C ATOM 418 CD GLU A 34 12.906 -3.820 5.811 1.00 0.00 C ATOM 419 OE1 GLU A 34 12.215 -3.082 6.494 1.00 0.00 O ATOM 420 OE2 GLU A 34 14.126 -3.821 5.827 1.00 0.00 O ATOM 0 H GLU A 34 11.716 -6.332 3.267 1.00 0.00 H new ATOM 0 HA GLU A 34 9.304 -5.312 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.458 -3.557 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.585 -3.371 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.807 -5.642 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.914 -5.218 4.169 1.00 0.00 H new ATOM 427 N LEU A 35 10.007 -4.537 1.315 1.00 0.00 N ATOM 428 CA LEU A 35 9.397 -4.048 0.082 1.00 0.00 C ATOM 429 C LEU A 35 8.136 -4.850 -0.233 1.00 0.00 C ATOM 430 O LEU A 35 7.067 -4.281 -0.456 1.00 0.00 O ATOM 431 CB LEU A 35 10.390 -4.173 -1.087 1.00 0.00 C ATOM 432 CG LEU A 35 10.213 -3.013 -2.089 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.724 -2.763 -2.367 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.849 -1.729 -1.534 1.00 0.00 C ATOM 0 H LEU A 35 10.990 -4.798 1.233 1.00 0.00 H new ATOM 0 HA LEU A 35 9.132 -2.999 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.410 -4.175 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.239 -5.125 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 35 10.708 -3.290 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.619 -1.942 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.276 -3.664 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.218 -2.506 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.717 -0.918 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.369 -1.463 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.913 -1.894 -1.365 1.00 0.00 H new ATOM 446 N LEU A 36 8.273 -6.171 -0.254 1.00 0.00 N ATOM 447 CA LEU A 36 7.143 -7.044 -0.549 1.00 0.00 C ATOM 448 C LEU A 36 6.073 -6.927 0.533 1.00 0.00 C ATOM 449 O LEU A 36 4.898 -6.713 0.232 1.00 0.00 O ATOM 450 CB LEU A 36 7.614 -8.495 -0.656 1.00 0.00 C ATOM 451 CG LEU A 36 8.843 -8.570 -1.567 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.245 -10.033 -1.758 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.516 -7.949 -2.930 1.00 0.00 C ATOM 0 H LEU A 36 9.150 -6.659 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 36 6.711 -6.735 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.858 -8.883 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.814 -9.119 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 36 9.666 -8.021 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.120 -10.088 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.482 -10.475 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.420 -10.580 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.393 -8.004 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.692 -8.495 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.230 -6.906 -2.795 1.00 0.00 H new ATOM 465 N ALA A 37 6.479 -7.064 1.792 1.00 0.00 N ATOM 466 CA ALA A 37 5.532 -6.964 2.897 1.00 0.00 C ATOM 467 C ALA A 37 4.743 -5.666 2.791 1.00 0.00 C ATOM 468 O ALA A 37 3.513 -5.664 2.870 1.00 0.00 O ATOM 469 CB ALA A 37 6.275 -7.007 4.234 1.00 0.00 C ATOM 0 H ALA A 37 7.444 -7.242 2.070 1.00 0.00 H new ATOM 0 HA ALA A 37 4.844 -7.808 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.558 -6.932 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.822 -7.946 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.976 -6.174 4.288 1.00 0.00 H new ATOM 475 N ALA A 38 5.459 -4.562 2.605 1.00 0.00 N ATOM 476 CA ALA A 38 4.817 -3.260 2.481 1.00 0.00 C ATOM 477 C ALA A 38 3.933 -3.225 1.239 1.00 0.00 C ATOM 478 O ALA A 38 2.774 -2.810 1.300 1.00 0.00 O ATOM 479 CB ALA A 38 5.880 -2.161 2.395 1.00 0.00 C ATOM 0 H ALA A 38 6.477 -4.543 2.537 1.00 0.00 H new ATOM 0 HA ALA A 38 4.196 -3.089 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.393 -1.190 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.492 -2.175 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.513 -2.334 1.524 1.00 0.00 H new ATOM 485 N CYS A 39 4.483 -3.670 0.112 1.00 0.00 N ATOM 486 CA CYS A 39 3.727 -3.690 -1.135 1.00 0.00 C ATOM 487 C CYS A 39 2.431 -4.471 -0.952 1.00 0.00 C ATOM 488 O CYS A 39 1.362 -4.029 -1.373 1.00 0.00 O ATOM 489 CB CYS A 39 4.557 -4.338 -2.246 1.00 0.00 C ATOM 490 SG CYS A 39 3.813 -3.960 -3.852 1.00 0.00 S ATOM 0 H CYS A 39 5.439 -4.018 0.037 1.00 0.00 H new ATOM 0 HA CYS A 39 3.493 -2.662 -1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.582 -3.968 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.602 -5.417 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 39 4.742 -3.915 -4.761 1.00 0.00 H new ATOM 496 N ARG A 40 2.536 -5.635 -0.316 1.00 0.00 N ATOM 497 CA ARG A 40 1.368 -6.472 -0.075 1.00 0.00 C ATOM 498 C ARG A 40 0.339 -5.720 0.763 1.00 0.00 C ATOM 499 O ARG A 40 -0.852 -5.724 0.452 1.00 0.00 O ATOM 500 CB ARG A 40 1.783 -7.754 0.651 1.00 0.00 C ATOM 501 CG ARG A 40 0.540 -8.585 0.973 1.00 0.00 C ATOM 502 CD ARG A 40 0.966 -9.984 1.425 1.00 0.00 C ATOM 503 NE ARG A 40 -0.163 -10.684 2.029 1.00 0.00 N ATOM 504 CZ ARG A 40 -1.138 -11.190 1.281 1.00 0.00 C ATOM 505 NH1 ARG A 40 -1.097 -11.063 -0.017 1.00 0.00 N ATOM 506 NH2 ARG A 40 -2.135 -11.815 1.845 1.00 0.00 N ATOM 0 H ARG A 40 3.413 -6.017 0.039 1.00 0.00 H new ATOM 0 HA ARG A 40 0.922 -6.729 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.468 -8.331 0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.316 -7.508 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.042 -8.100 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.102 -8.654 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.341 -10.551 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.783 -9.909 2.143 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.205 -10.787 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.317 -10.575 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.845 -11.451 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.166 -11.915 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.884 -12.203 1.271 1.00 0.00 H new ATOM 520 N GLU A 41 0.807 -5.072 1.825 1.00 0.00 N ATOM 521 CA GLU A 41 -0.085 -4.317 2.696 1.00 0.00 C ATOM 522 C GLU A 41 -0.884 -3.303 1.885 1.00 0.00 C ATOM 523 O GLU A 41 -2.109 -3.240 1.984 1.00 0.00 O ATOM 524 CB GLU A 41 0.727 -3.589 3.772 1.00 0.00 C ATOM 525 CG GLU A 41 1.226 -4.598 4.806 1.00 0.00 C ATOM 526 CD GLU A 41 0.076 -5.030 5.710 1.00 0.00 C ATOM 527 OE1 GLU A 41 -1.014 -4.511 5.537 1.00 0.00 O ATOM 528 OE2 GLU A 41 0.303 -5.873 6.562 1.00 0.00 O ATOM 0 H GLU A 41 1.789 -5.054 2.101 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.775 -5.012 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.571 -3.071 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.111 -2.831 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.650 -5.467 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.023 -4.155 5.404 1.00 0.00 H new ATOM 535 N GLU A 42 -0.182 -2.512 1.079 1.00 0.00 N ATOM 536 CA GLU A 42 -0.837 -1.509 0.248 1.00 0.00 C ATOM 537 C GLU A 42 -1.805 -2.176 -0.722 1.00 0.00 C ATOM 538 O GLU A 42 -2.929 -1.712 -0.912 1.00 0.00 O ATOM 539 CB GLU A 42 0.210 -0.710 -0.532 1.00 0.00 C ATOM 540 CG GLU A 42 0.854 0.334 0.386 1.00 0.00 C ATOM 541 CD GLU A 42 1.323 -0.325 1.681 1.00 0.00 C ATOM 542 OE1 GLU A 42 0.480 -0.625 2.509 1.00 0.00 O ATOM 543 OE2 GLU A 42 2.519 -0.520 1.822 1.00 0.00 O ATOM 0 H GLU A 42 0.833 -2.546 0.984 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.396 -0.832 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.973 -1.381 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.256 -0.219 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.698 0.803 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.138 1.125 0.610 1.00 0.00 H new ATOM 550 N PHE A 43 -1.361 -3.270 -1.334 1.00 0.00 N ATOM 551 CA PHE A 43 -2.199 -3.996 -2.282 1.00 0.00 C ATOM 552 C PHE A 43 -3.457 -4.507 -1.585 1.00 0.00 C ATOM 553 O PHE A 43 -4.567 -4.353 -2.094 1.00 0.00 O ATOM 554 CB PHE A 43 -1.411 -5.173 -2.880 1.00 0.00 C ATOM 555 CG PHE A 43 -1.224 -4.966 -4.368 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.653 -3.780 -4.842 1.00 0.00 C ATOM 557 CD2 PHE A 43 -1.621 -5.961 -5.270 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.479 -3.586 -6.218 1.00 0.00 C ATOM 559 CE2 PHE A 43 -1.447 -5.767 -6.645 1.00 0.00 C ATOM 560 CZ PHE A 43 -0.876 -4.581 -7.119 1.00 0.00 C ATOM 0 H PHE A 43 -0.434 -3.670 -1.192 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.493 -3.321 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.440 -5.258 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.942 -6.107 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.346 -3.013 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.061 -6.877 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.039 -2.670 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.754 -6.534 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.741 -4.433 -8.180 1.00 0.00 H new ATOM 570 N HIS A 44 -3.274 -5.111 -0.416 1.00 0.00 N ATOM 571 CA HIS A 44 -4.401 -5.637 0.345 1.00 0.00 C ATOM 572 C HIS A 44 -5.391 -4.521 0.661 1.00 0.00 C ATOM 573 O HIS A 44 -6.605 -4.714 0.583 1.00 0.00 O ATOM 574 CB HIS A 44 -3.905 -6.266 1.648 1.00 0.00 C ATOM 575 CG HIS A 44 -5.039 -6.994 2.318 1.00 0.00 C ATOM 576 ND1 HIS A 44 -5.429 -8.268 1.936 1.00 0.00 N ATOM 577 CD2 HIS A 44 -5.875 -6.637 3.348 1.00 0.00 C ATOM 578 CE1 HIS A 44 -6.459 -8.629 2.723 1.00 0.00 C ATOM 579 NE2 HIS A 44 -6.771 -7.671 3.601 1.00 0.00 N ATOM 0 H HIS A 44 -2.363 -5.248 0.023 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.901 -6.398 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.087 -6.956 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.512 -5.494 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.842 -5.698 3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.971 -9.577 2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.508 -7.693 4.306 1.00 0.00 H new ATOM 587 N ARG A 45 -4.863 -3.354 1.016 1.00 0.00 N ATOM 588 CA ARG A 45 -5.709 -2.211 1.338 1.00 0.00 C ATOM 589 C ARG A 45 -6.557 -1.822 0.132 1.00 0.00 C ATOM 590 O ARG A 45 -7.783 -1.752 0.220 1.00 0.00 O ATOM 591 CB ARG A 45 -4.842 -1.025 1.762 1.00 0.00 C ATOM 592 CG ARG A 45 -5.726 0.204 1.986 1.00 0.00 C ATOM 593 CD ARG A 45 -4.925 1.287 2.711 1.00 0.00 C ATOM 594 NE ARG A 45 -5.698 2.520 2.786 1.00 0.00 N ATOM 595 CZ ARG A 45 -5.275 3.554 3.507 1.00 0.00 C ATOM 596 NH1 ARG A 45 -4.150 3.474 4.166 1.00 0.00 N ATOM 597 NH2 ARG A 45 -5.985 4.648 3.558 1.00 0.00 N ATOM 0 H ARG A 45 -3.861 -3.176 1.088 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.370 -2.487 2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.300 -1.267 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.096 -0.814 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.088 0.583 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.603 -0.068 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.668 0.949 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.987 1.469 2.186 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.579 2.591 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.596 2.618 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.825 4.267 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.864 4.710 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.661 5.441 4.111 1.00 0.00 H new ATOM 611 N ARG A 46 -5.897 -1.574 -0.994 1.00 0.00 N ATOM 612 CA ARG A 46 -6.601 -1.196 -2.214 1.00 0.00 C ATOM 613 C ARG A 46 -7.602 -2.276 -2.608 1.00 0.00 C ATOM 614 O ARG A 46 -8.717 -1.977 -3.037 1.00 0.00 O ATOM 615 CB ARG A 46 -5.598 -0.986 -3.349 1.00 0.00 C ATOM 616 CG ARG A 46 -6.277 -0.241 -4.501 1.00 0.00 C ATOM 617 CD ARG A 46 -5.292 -0.080 -5.660 1.00 0.00 C ATOM 618 NE ARG A 46 -4.277 0.917 -5.327 1.00 0.00 N ATOM 619 CZ ARG A 46 -3.128 0.572 -4.753 1.00 0.00 C ATOM 620 NH1 ARG A 46 -2.887 -0.679 -4.467 1.00 0.00 N ATOM 621 NH2 ARG A 46 -2.240 1.486 -4.472 1.00 0.00 N ATOM 0 H ARG A 46 -4.883 -1.627 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.140 -0.267 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.740 -0.417 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.220 -1.947 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.158 -0.790 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.619 0.737 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.815 -1.036 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.826 0.221 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.454 1.899 -5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.581 -1.395 -4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.005 -0.941 -4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.427 2.464 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.358 1.222 -4.032 1.00 0.00 H new ATOM 635 N LEU A 47 -7.198 -3.535 -2.461 1.00 0.00 N ATOM 636 CA LEU A 47 -8.069 -4.652 -2.805 1.00 0.00 C ATOM 637 C LEU A 47 -9.382 -4.558 -2.032 1.00 0.00 C ATOM 638 O LEU A 47 -10.462 -4.534 -2.623 1.00 0.00 O ATOM 639 CB LEU A 47 -7.366 -5.978 -2.482 1.00 0.00 C ATOM 640 CG LEU A 47 -7.860 -7.090 -3.420 1.00 0.00 C ATOM 641 CD1 LEU A 47 -9.389 -7.162 -3.378 1.00 0.00 C ATOM 642 CD2 LEU A 47 -7.397 -6.811 -4.861 1.00 0.00 C ATOM 0 H LEU A 47 -6.280 -3.805 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.288 -4.612 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.287 -5.859 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.559 -6.256 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.443 -8.041 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.734 -7.952 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.715 -7.377 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.807 -6.208 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.752 -7.605 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.802 -5.856 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.308 -6.774 -4.893 1.00 0.00 H new ATOM 654 N LYS A 48 -9.281 -4.505 -0.708 1.00 0.00 N ATOM 655 CA LYS A 48 -10.468 -4.412 0.137 1.00 0.00 C ATOM 656 C LYS A 48 -11.151 -3.062 -0.050 1.00 0.00 C ATOM 657 O LYS A 48 -12.353 -2.992 -0.302 1.00 0.00 O ATOM 658 CB LYS A 48 -10.080 -4.592 1.605 1.00 0.00 C ATOM 659 CG LYS A 48 -11.345 -4.773 2.450 1.00 0.00 C ATOM 660 CD LYS A 48 -10.976 -4.813 3.941 1.00 0.00 C ATOM 661 CE LYS A 48 -11.141 -3.419 4.557 1.00 0.00 C ATOM 662 NZ LYS A 48 -10.581 -2.395 3.631 1.00 0.00 N ATOM 0 H LYS A 48 -8.397 -4.525 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.162 -5.201 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.429 -5.459 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.519 -3.725 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.040 -3.955 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.853 -5.695 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.612 -5.528 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.948 -5.154 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.195 -3.216 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.630 -3.372 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.632 -1.458 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.589 -2.624 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.131 -2.387 2.748 1.00 0.00 H new ATOM 676 N VAL A 49 -10.373 -1.990 0.077 1.00 0.00 N ATOM 677 CA VAL A 49 -10.909 -0.644 -0.080 1.00 0.00 C ATOM 678 C VAL A 49 -11.638 -0.509 -1.413 1.00 0.00 C ATOM 679 O VAL A 49 -12.729 0.056 -1.479 1.00 0.00 O ATOM 680 CB VAL A 49 -9.773 0.378 -0.001 1.00 0.00 C ATOM 681 CG1 VAL A 49 -10.287 1.759 -0.412 1.00 0.00 C ATOM 682 CG2 VAL A 49 -9.245 0.439 1.434 1.00 0.00 C ATOM 0 H VAL A 49 -9.376 -2.028 0.287 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.620 -0.456 0.724 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.971 0.078 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.474 2.482 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.663 1.718 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.091 2.062 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.435 1.166 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.050 0.737 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.873 -0.543 1.727 1.00 0.00 H new ATOM 692 N TYR A 50 -11.029 -1.033 -2.472 1.00 0.00 N ATOM 693 CA TYR A 50 -11.631 -0.964 -3.799 1.00 0.00 C ATOM 694 C TYR A 50 -12.930 -1.766 -3.837 1.00 0.00 C ATOM 695 O TYR A 50 -13.971 -1.256 -4.250 1.00 0.00 O ATOM 696 CB TYR A 50 -10.659 -1.515 -4.844 1.00 0.00 C ATOM 697 CG TYR A 50 -11.308 -1.478 -6.207 1.00 0.00 C ATOM 698 CD1 TYR A 50 -12.160 -2.516 -6.605 1.00 0.00 C ATOM 699 CD2 TYR A 50 -11.058 -0.407 -7.071 1.00 0.00 C ATOM 700 CE1 TYR A 50 -12.760 -2.483 -7.869 1.00 0.00 C ATOM 701 CE2 TYR A 50 -11.659 -0.373 -8.337 1.00 0.00 C ATOM 702 CZ TYR A 50 -12.511 -1.410 -8.734 1.00 0.00 C ATOM 703 OH TYR A 50 -13.102 -1.378 -9.980 1.00 0.00 O ATOM 0 H TYR A 50 -10.126 -1.507 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.852 0.079 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.743 -0.925 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.378 -2.537 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.354 -3.342 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.402 0.394 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.415 -3.285 -8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.465 0.453 -9.005 1.00 0.00 H new ATOM 0 HH TYR A 50 -12.825 -0.565 -10.453 1.00 0.00 H new ATOM 713 N HIS A 51 -12.859 -3.019 -3.403 1.00 0.00 N ATOM 714 CA HIS A 51 -14.036 -3.881 -3.391 1.00 0.00 C ATOM 715 C HIS A 51 -15.138 -3.267 -2.535 1.00 0.00 C ATOM 716 O HIS A 51 -16.324 -3.454 -2.803 1.00 0.00 O ATOM 717 CB HIS A 51 -13.669 -5.261 -2.842 1.00 0.00 C ATOM 718 CG HIS A 51 -14.816 -6.208 -3.057 1.00 0.00 C ATOM 719 ND1 HIS A 51 -15.957 -6.178 -2.270 1.00 0.00 N ATOM 720 CD2 HIS A 51 -15.015 -7.218 -3.966 1.00 0.00 C ATOM 721 CE1 HIS A 51 -16.783 -7.142 -2.715 1.00 0.00 C ATOM 722 NE2 HIS A 51 -16.257 -7.806 -3.748 1.00 0.00 N ATOM 0 H HIS A 51 -12.006 -3.459 -3.057 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.399 -3.984 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.775 -5.636 -3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.436 -5.191 -1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.314 -7.511 -4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -17.753 -7.353 -2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -16.676 -8.578 -4.266 1.00 0.00 H new ATOM 730 N ALA A 52 -14.738 -2.533 -1.501 1.00 0.00 N ATOM 731 CA ALA A 52 -15.700 -1.894 -0.612 1.00 0.00 C ATOM 732 C ALA A 52 -16.257 -0.624 -1.248 1.00 0.00 C ATOM 733 O ALA A 52 -17.450 -0.534 -1.534 1.00 0.00 O ATOM 734 CB ALA A 52 -15.032 -1.549 0.720 1.00 0.00 C ATOM 0 H ALA A 52 -13.761 -2.367 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.521 -2.589 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.758 -1.072 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.662 -2.461 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.199 -0.868 0.544 1.00 0.00 H new ATOM 740 N TRP A 53 -15.382 0.352 -1.469 1.00 0.00 N ATOM 741 CA TRP A 53 -15.798 1.613 -2.074 1.00 0.00 C ATOM 742 C TRP A 53 -16.650 1.353 -3.312 1.00 0.00 C ATOM 743 O TRP A 53 -17.767 1.858 -3.427 1.00 0.00 O ATOM 744 CB TRP A 53 -14.566 2.438 -2.461 1.00 0.00 C ATOM 745 CG TRP A 53 -13.983 3.083 -1.243 1.00 0.00 C ATOM 746 CD1 TRP A 53 -14.135 2.634 0.026 1.00 0.00 C ATOM 747 CD2 TRP A 53 -13.162 4.284 -1.157 1.00 0.00 C ATOM 748 NE1 TRP A 53 -13.457 3.484 0.883 1.00 0.00 N ATOM 749 CE2 TRP A 53 -12.842 4.515 0.202 1.00 0.00 C ATOM 750 CE3 TRP A 53 -12.668 5.186 -2.118 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -12.061 5.603 0.594 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -11.881 6.281 -1.726 1.00 0.00 C ATOM 753 CH2 TRP A 53 -11.578 6.489 -0.372 1.00 0.00 C ATOM 0 H TRP A 53 -14.389 0.296 -1.241 1.00 0.00 H new ATOM 0 HA TRP A 53 -16.391 2.168 -1.347 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.823 1.797 -2.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -14.842 3.200 -3.190 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.693 1.758 0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -13.417 3.363 1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.896 5.035 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -11.831 5.759 1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -11.507 6.967 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -10.972 7.333 -0.077 1.00 0.00 H new ATOM 764 N LYS A 54 -16.117 0.558 -4.235 1.00 0.00 N ATOM 765 CA LYS A 54 -16.839 0.236 -5.460 1.00 0.00 C ATOM 766 C LYS A 54 -17.443 1.496 -6.073 1.00 0.00 C ATOM 767 O LYS A 54 -18.544 1.908 -5.704 1.00 0.00 O ATOM 768 CB LYS A 54 -17.947 -0.779 -5.159 1.00 0.00 C ATOM 769 CG LYS A 54 -18.286 -1.573 -6.425 1.00 0.00 C ATOM 770 CD LYS A 54 -18.811 -0.622 -7.506 1.00 0.00 C ATOM 771 CE LYS A 54 -19.619 -1.415 -8.537 1.00 0.00 C ATOM 772 NZ LYS A 54 -20.125 -0.489 -9.589 1.00 0.00 N ATOM 0 H LYS A 54 -15.195 0.128 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.138 -0.196 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.625 -1.458 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.835 -0.263 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.400 -2.096 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.035 -2.332 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.435 0.149 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.979 -0.114 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.996 -2.188 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.453 -1.921 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.674 -1.027 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.733 0.233 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.321 -0.026 -10.060 1.00 0.00 H new ATOM 786 N SER A 55 -16.716 2.102 -7.008 1.00 0.00 N ATOM 787 CA SER A 55 -17.185 3.316 -7.671 1.00 0.00 C ATOM 788 C SER A 55 -17.398 3.063 -9.160 1.00 0.00 C ATOM 789 O SER A 55 -18.399 2.472 -9.562 1.00 0.00 O ATOM 790 CB SER A 55 -16.164 4.438 -7.484 1.00 0.00 C ATOM 791 OG SER A 55 -16.159 4.847 -6.123 1.00 0.00 O ATOM 0 H SER A 55 -15.803 1.774 -7.323 1.00 0.00 H new ATOM 0 HA SER A 55 -18.135 3.610 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.172 4.094 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.412 5.282 -8.128 1.00 0.00 H new ATOM 0 HG SER A 55 -15.504 5.565 -6.000 1.00 0.00 H new ATOM 797 N LYS A 56 -16.449 3.515 -9.975 1.00 0.00 N ATOM 798 CA LYS A 56 -16.544 3.332 -11.418 1.00 0.00 C ATOM 799 C LYS A 56 -17.867 3.880 -11.941 1.00 0.00 C ATOM 800 O LYS A 56 -18.504 3.276 -12.803 1.00 0.00 O ATOM 801 CB LYS A 56 -16.435 1.845 -11.767 1.00 0.00 C ATOM 802 CG LYS A 56 -15.199 1.239 -11.092 1.00 0.00 C ATOM 803 CD LYS A 56 -13.918 1.830 -11.706 1.00 0.00 C ATOM 804 CE LYS A 56 -13.313 2.863 -10.751 1.00 0.00 C ATOM 805 NZ LYS A 56 -12.349 3.724 -11.494 1.00 0.00 N ATOM 0 H LYS A 56 -15.612 4.007 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.725 3.876 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -17.332 1.319 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.368 1.720 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.225 1.440 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.203 0.156 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.197 1.036 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.145 2.297 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.102 3.475 -10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.807 2.360 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.938 4.425 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.590 3.133 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.845 4.215 -12.265 1.00 0.00 H new ATOM 819 N ASN A 57 -18.274 5.030 -11.413 1.00 0.00 N ATOM 820 CA ASN A 57 -19.525 5.653 -11.834 1.00 0.00 C ATOM 821 C ASN A 57 -20.680 4.662 -11.719 1.00 0.00 C ATOM 822 O ASN A 57 -20.934 3.880 -12.635 1.00 0.00 O ATOM 823 CB ASN A 57 -19.407 6.136 -13.280 1.00 0.00 C ATOM 824 CG ASN A 57 -18.503 7.363 -13.347 1.00 0.00 C ATOM 825 OD1 ASN A 57 -17.323 7.248 -13.681 1.00 0.00 O ATOM 826 ND2 ASN A 57 -18.988 8.537 -13.049 1.00 0.00 N ATOM 0 H ASN A 57 -17.761 5.546 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.724 6.504 -11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.002 5.341 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -20.394 6.379 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -18.390 9.362 -13.092 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.965 8.630 -12.773 1.00 0.00 H new ATOM 833 N LYS A 58 -21.374 4.701 -10.586 1.00 0.00 N ATOM 834 CA LYS A 58 -22.500 3.802 -10.359 1.00 0.00 C ATOM 835 C LYS A 58 -23.585 4.025 -11.409 1.00 0.00 C ATOM 836 O LYS A 58 -23.298 4.113 -12.604 1.00 0.00 O ATOM 837 CB LYS A 58 -23.081 4.035 -8.963 1.00 0.00 C ATOM 838 CG LYS A 58 -21.986 3.833 -7.914 1.00 0.00 C ATOM 839 CD LYS A 58 -22.528 4.198 -6.531 1.00 0.00 C ATOM 840 CE LYS A 58 -21.447 3.957 -5.477 1.00 0.00 C ATOM 841 NZ LYS A 58 -20.873 2.593 -5.658 1.00 0.00 N ATOM 0 H LYS A 58 -21.179 5.341 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 58 -22.142 2.775 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -23.487 5.044 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -23.905 3.346 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.648 2.797 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -21.121 4.452 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -22.839 5.243 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -23.410 3.599 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.662 4.708 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.870 4.056 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.665 2.177 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.557 1.992 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.995 2.656 -6.212 1.00 0.00 H new ATOM 855 N LYS A 59 -24.831 4.113 -10.956 1.00 0.00 N ATOM 856 CA LYS A 59 -25.952 4.325 -11.865 1.00 0.00 C ATOM 857 C LYS A 59 -25.890 5.719 -12.480 1.00 0.00 C ATOM 858 O LYS A 59 -25.048 6.536 -12.107 1.00 0.00 O ATOM 859 CB LYS A 59 -27.273 4.157 -11.112 1.00 0.00 C ATOM 860 CG LYS A 59 -27.240 4.992 -9.830 1.00 0.00 C ATOM 861 CD LYS A 59 -28.659 5.131 -9.274 1.00 0.00 C ATOM 862 CE LYS A 59 -28.595 5.704 -7.857 1.00 0.00 C ATOM 863 NZ LYS A 59 -27.499 6.710 -7.774 1.00 0.00 N ATOM 0 H LYS A 59 -25.089 4.041 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.891 3.586 -12.664 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -28.105 4.471 -11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.435 3.107 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.594 4.518 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.821 5.977 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.251 5.784 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.154 4.160 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -29.547 6.166 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -28.423 4.903 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.650 7.320 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.586 6.221 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.496 7.292 -8.636 1.00 0.00 H new ATOM 877 N ARG A 60 -26.787 5.985 -13.424 1.00 0.00 N ATOM 878 CA ARG A 60 -26.831 7.285 -14.089 1.00 0.00 C ATOM 879 C ARG A 60 -28.037 8.090 -13.614 1.00 0.00 C ATOM 880 O ARG A 60 -28.199 9.206 -14.078 1.00 0.00 O ATOM 881 CB ARG A 60 -26.911 7.092 -15.606 1.00 0.00 C ATOM 882 CG ARG A 60 -25.564 6.588 -16.128 1.00 0.00 C ATOM 883 CD ARG A 60 -25.712 6.155 -17.587 1.00 0.00 C ATOM 884 NE ARG A 60 -26.417 4.882 -17.668 1.00 0.00 N ATOM 885 CZ ARG A 60 -25.844 3.751 -17.269 1.00 0.00 C ATOM 886 NH1 ARG A 60 -24.627 3.767 -16.797 1.00 0.00 N ATOM 887 NH2 ARG A 60 -26.498 2.625 -17.348 1.00 0.00 N ATOM 888 OXT ARG A 60 -28.781 7.576 -12.795 1.00 0.00 O ATOM 0 H ARG A 60 -27.491 5.321 -13.746 1.00 0.00 H new ATOM 0 HA ARG A 60 -25.922 7.831 -13.838 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -27.698 6.379 -15.852 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -27.171 8.033 -16.090 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -24.813 7.374 -16.045 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -25.218 5.751 -15.522 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -26.256 6.916 -18.146 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -24.728 6.064 -18.048 1.00 0.00 H new ATOM 0 HE ARG A 60 -27.367 4.859 -18.038 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.116 4.647 -16.734 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.187 2.899 -16.491 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -27.449 2.612 -17.716 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.058 1.757 -17.042 1.00 0.00 H new TER 902 ARG A 60