USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 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 114 ASN : amide:sc= 0.659 K(o=1.3,f=-3) USER MOD Set 1.2: A 117 HIS : no HE2:sc= 0.633 K(o=1.3,f=-5.4!) USER MOD Set 2.1: A 106 ASN : amide:sc= -3.81! C(o=-5.1!,f=-6.8!) USER MOD Set 2.2: A 108 THR OG1 : rot -87:sc= -1.25 USER MOD Set 3.1: A 98 ASN : amide:sc= 1.7 K(o=1.7,f=-12!) USER MOD Set 3.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 48 THR OG1 : rot -69:sc= 0.863! USER MOD Set 4.2: A 73 GLN : amide:sc= 0.673 K(o=1.5,f=-1.4) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0.0545 K(o=0.055,f=-0.77) USER MOD Single : A 49 THR OG1 : rot -96:sc= -0.484 USER MOD Single : A 52 ASN : amide:sc= 0.112 X(o=0.11,f=-0.25) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -70:sc= 0.361 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.812! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 66 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 69 THR OG1 : rot 70:sc= -1.7! USER MOD Single : A 74 SER OG : rot -167:sc= -0.171 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.141 K(o=0.14,f=-5.2!) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= -0.157 (180deg=-0.19) USER MOD Single : A 93 TYR OH : rot -36:sc= 0.353 USER MOD Single : A 94 ASN : amide:sc= -2.21! C(o=-2.2!,f=-9.9!) USER MOD Single : A 95 THR OG1 : rot -8:sc= -0.0165 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 115 TYR OH : rot -40:sc= -2.54! USER MOD Single : A 116 SER OG : rot -90:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -2.218 12.384 -7.364 1.00 0.00 N ATOM 2 CA TYR A 44 -3.545 11.755 -7.083 1.00 0.00 C ATOM 3 C TYR A 44 -3.508 10.224 -7.155 1.00 0.00 C ATOM 4 O TYR A 44 -4.469 9.565 -6.765 1.00 0.00 O ATOM 5 CB TYR A 44 -4.565 12.302 -8.082 1.00 0.00 C ATOM 6 CG TYR A 44 -5.741 12.984 -7.423 1.00 0.00 C ATOM 7 CD1 TYR A 44 -5.637 14.281 -6.937 1.00 0.00 C ATOM 8 CD2 TYR A 44 -6.955 12.326 -7.279 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.711 14.902 -6.328 1.00 0.00 C ATOM 10 CE2 TYR A 44 -8.032 12.941 -6.669 1.00 0.00 C ATOM 11 CZ TYR A 44 -7.905 14.228 -6.197 1.00 0.00 C ATOM 12 OH TYR A 44 -8.973 14.840 -5.588 1.00 0.00 O ATOM 0 HA TYR A 44 -3.826 12.008 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.069 13.010 -8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.930 11.484 -8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.702 14.813 -7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.060 11.317 -7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.614 15.911 -5.956 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.969 12.414 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.739 14.228 -5.578 1.00 0.00 H new ATOM 22 N CYS A 45 -2.395 9.665 -7.633 1.00 0.00 N ATOM 23 CA CYS A 45 -2.230 8.220 -7.737 1.00 0.00 C ATOM 24 C CYS A 45 -3.185 7.605 -8.768 1.00 0.00 C ATOM 25 O CYS A 45 -4.203 8.198 -9.122 1.00 0.00 O ATOM 26 CB CYS A 45 -2.441 7.588 -6.366 1.00 0.00 C ATOM 27 SG CYS A 45 -1.995 8.663 -4.961 1.00 0.00 S ATOM 0 H CYS A 45 -1.589 10.200 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.217 8.017 -8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.488 7.301 -6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.853 6.672 -6.308 1.00 0.00 H new ATOM 32 N HIS A 46 -2.834 6.417 -9.269 1.00 0.00 N ATOM 33 CA HIS A 46 -3.632 5.727 -10.265 1.00 0.00 C ATOM 34 C HIS A 46 -4.306 4.473 -9.698 1.00 0.00 C ATOM 35 O HIS A 46 -4.097 4.109 -8.539 1.00 0.00 O ATOM 36 CB HIS A 46 -2.753 5.346 -11.454 1.00 0.00 C ATOM 37 CG HIS A 46 -1.280 5.332 -11.173 1.00 0.00 C ATOM 38 ND1 HIS A 46 -0.689 4.453 -10.292 1.00 0.00 N ATOM 39 CD2 HIS A 46 -0.277 6.092 -11.673 1.00 0.00 C ATOM 40 CE1 HIS A 46 0.613 4.673 -10.258 1.00 0.00 C ATOM 41 NE2 HIS A 46 0.890 5.663 -11.088 1.00 0.00 N ATOM 0 H HIS A 46 -1.991 5.915 -8.992 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.421 6.408 -10.584 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.050 4.358 -11.805 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.946 6.045 -12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.376 6.887 -12.397 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.329 4.135 -9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.818 6.046 -11.266 1.00 0.00 H new ATOM 50 N ARG A 47 -5.117 3.822 -10.540 1.00 0.00 N ATOM 51 CA ARG A 47 -5.849 2.607 -10.168 1.00 0.00 C ATOM 52 C ARG A 47 -7.022 2.928 -9.249 1.00 0.00 C ATOM 53 O ARG A 47 -7.103 4.014 -8.671 1.00 0.00 O ATOM 54 CB ARG A 47 -4.930 1.574 -9.510 1.00 0.00 C ATOM 55 CG ARG A 47 -4.959 0.213 -10.193 1.00 0.00 C ATOM 56 CD ARG A 47 -3.767 0.023 -11.119 1.00 0.00 C ATOM 57 NE ARG A 47 -3.848 0.883 -12.306 1.00 0.00 N ATOM 58 CZ ARG A 47 -2.897 0.976 -13.228 1.00 0.00 C ATOM 59 NH1 ARG A 47 -1.797 0.257 -13.130 1.00 0.00 N ATOM 60 NH2 ARG A 47 -3.053 1.785 -14.258 1.00 0.00 N ATOM 0 H ARG A 47 -5.284 4.124 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.239 2.176 -11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.908 1.953 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.220 1.454 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.962 -0.573 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.883 0.111 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.848 0.241 -10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.713 -1.020 -11.430 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.690 1.446 -12.431 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.671 -0.377 -12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.072 0.335 -13.843 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.904 2.340 -14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.322 1.856 -14.966 1.00 0.00 H new ATOM 74 N THR A 48 -7.944 1.979 -9.137 1.00 0.00 N ATOM 75 CA THR A 48 -9.136 2.164 -8.307 1.00 0.00 C ATOM 76 C THR A 48 -10.002 0.890 -8.254 1.00 0.00 C ATOM 77 O THR A 48 -11.220 0.943 -8.450 1.00 0.00 O ATOM 78 CB THR A 48 -9.940 3.362 -8.843 1.00 0.00 C ATOM 79 OG1 THR A 48 -11.249 3.386 -8.315 1.00 0.00 O ATOM 80 CG2 THR A 48 -10.060 3.382 -10.351 1.00 0.00 C ATOM 0 H THR A 48 -7.893 1.075 -9.607 1.00 0.00 H new ATOM 0 HA THR A 48 -8.822 2.367 -7.283 1.00 0.00 H new ATOM 0 HB THR A 48 -9.374 4.237 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.761 2.633 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.639 4.253 -10.658 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.066 3.432 -10.794 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.562 2.475 -10.688 1.00 0.00 H new ATOM 88 N THR A 49 -9.358 -0.247 -7.972 1.00 0.00 N ATOM 89 CA THR A 49 -10.041 -1.551 -7.869 1.00 0.00 C ATOM 90 C THR A 49 -9.024 -2.694 -7.871 1.00 0.00 C ATOM 91 O THR A 49 -7.836 -2.478 -8.120 1.00 0.00 O ATOM 92 CB THR A 49 -11.056 -1.761 -9.008 1.00 0.00 C ATOM 93 OG1 THR A 49 -11.677 -3.035 -8.898 1.00 0.00 O ATOM 94 CG2 THR A 49 -10.452 -1.669 -10.397 1.00 0.00 C ATOM 0 H THR A 49 -8.352 -0.295 -7.808 1.00 0.00 H new ATOM 0 HA THR A 49 -10.586 -1.551 -6.925 1.00 0.00 H new ATOM 0 HB THR A 49 -11.775 -0.950 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.212 -3.677 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.230 -1.828 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.011 -0.682 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.680 -2.431 -10.509 1.00 0.00 H new ATOM 102 N ILE A 50 -9.496 -3.910 -7.599 1.00 0.00 N ATOM 103 CA ILE A 50 -8.625 -5.087 -7.578 1.00 0.00 C ATOM 104 C ILE A 50 -8.290 -5.546 -8.997 1.00 0.00 C ATOM 105 O ILE A 50 -9.097 -5.388 -9.917 1.00 0.00 O ATOM 106 CB ILE A 50 -9.268 -6.260 -6.812 1.00 0.00 C ATOM 107 CG1 ILE A 50 -9.657 -5.824 -5.401 1.00 0.00 C ATOM 108 CG2 ILE A 50 -8.320 -7.452 -6.752 1.00 0.00 C ATOM 109 CD1 ILE A 50 -8.473 -5.489 -4.518 1.00 0.00 C ATOM 0 H ILE A 50 -10.475 -4.107 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.711 -4.790 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.168 -6.563 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.308 -4.952 -5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.236 -6.619 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.795 -8.268 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.084 -7.781 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.402 -7.161 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.828 -5.188 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.832 -6.365 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.906 -4.672 -4.964 1.00 0.00 H new ATOM 121 N GLY A 51 -7.097 -6.120 -9.159 1.00 0.00 N ATOM 122 CA GLY A 51 -6.655 -6.605 -10.462 1.00 0.00 C ATOM 123 C GLY A 51 -6.782 -5.558 -11.555 1.00 0.00 C ATOM 124 O GLY A 51 -6.292 -4.437 -11.412 1.00 0.00 O ATOM 0 H GLY A 51 -6.424 -6.259 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.616 -6.926 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.241 -7.482 -10.736 1.00 0.00 H new ATOM 128 N ASN A 52 -7.448 -5.927 -12.647 1.00 0.00 N ATOM 129 CA ASN A 52 -7.650 -5.012 -13.772 1.00 0.00 C ATOM 130 C ASN A 52 -8.636 -5.596 -14.788 1.00 0.00 C ATOM 131 O ASN A 52 -8.373 -5.611 -15.993 1.00 0.00 O ATOM 132 CB ASN A 52 -6.308 -4.680 -14.444 1.00 0.00 C ATOM 133 CG ASN A 52 -5.508 -5.917 -14.815 1.00 0.00 C ATOM 134 OD1 ASN A 52 -4.561 -6.287 -14.127 1.00 0.00 O ATOM 135 ND2 ASN A 52 -5.886 -6.564 -15.906 1.00 0.00 N ATOM 0 H ASN A 52 -7.857 -6.852 -12.778 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.079 -4.088 -13.384 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.494 -4.091 -15.342 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.715 -4.059 -13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.385 -7.402 -16.201 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.678 -6.225 -16.451 1.00 0.00 H new ATOM 142 N PHE A 53 -9.771 -6.079 -14.286 1.00 0.00 N ATOM 143 CA PHE A 53 -10.801 -6.670 -15.141 1.00 0.00 C ATOM 144 C PHE A 53 -12.116 -6.856 -14.394 1.00 0.00 C ATOM 145 O PHE A 53 -12.362 -7.900 -13.787 1.00 0.00 O ATOM 146 CB PHE A 53 -10.333 -8.010 -15.709 1.00 0.00 C ATOM 147 CG PHE A 53 -9.279 -8.696 -14.880 1.00 0.00 C ATOM 148 CD1 PHE A 53 -9.605 -9.270 -13.661 1.00 0.00 C ATOM 149 CD2 PHE A 53 -7.966 -8.759 -15.315 1.00 0.00 C ATOM 150 CE1 PHE A 53 -8.641 -9.893 -12.894 1.00 0.00 C ATOM 151 CE2 PHE A 53 -6.997 -9.382 -14.552 1.00 0.00 C ATOM 152 CZ PHE A 53 -7.335 -9.950 -13.339 1.00 0.00 C ATOM 0 H PHE A 53 -10.001 -6.073 -13.292 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.973 -5.975 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -11.193 -8.672 -15.804 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.942 -7.850 -16.714 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.625 -9.229 -13.307 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.696 -8.316 -16.262 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.908 -10.336 -11.946 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.977 -9.425 -14.904 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.580 -10.437 -12.740 1.00 0.00 H new ATOM 162 N SER A 54 -12.956 -5.831 -14.457 1.00 0.00 N ATOM 163 CA SER A 54 -14.264 -5.849 -13.804 1.00 0.00 C ATOM 164 C SER A 54 -14.129 -5.881 -12.284 1.00 0.00 C ATOM 165 O SER A 54 -14.022 -6.949 -11.677 1.00 0.00 O ATOM 166 CB SER A 54 -15.095 -7.041 -14.287 1.00 0.00 C ATOM 167 OG SER A 54 -16.346 -6.610 -14.793 1.00 0.00 O ATOM 0 H SER A 54 -12.754 -4.966 -14.959 1.00 0.00 H new ATOM 0 HA SER A 54 -14.779 -4.928 -14.078 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.550 -7.580 -15.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.251 -7.738 -13.464 1.00 0.00 H new ATOM 0 HG SER A 54 -16.861 -7.386 -15.098 1.00 0.00 H new ATOM 173 N GLY A 55 -14.133 -4.697 -11.680 1.00 0.00 N ATOM 174 CA GLY A 55 -14.012 -4.587 -10.232 1.00 0.00 C ATOM 175 C GLY A 55 -14.973 -5.500 -9.481 1.00 0.00 C ATOM 176 O GLY A 55 -16.153 -5.583 -9.831 1.00 0.00 O ATOM 0 H GLY A 55 -14.218 -3.805 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.990 -4.826 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.195 -3.554 -9.935 1.00 0.00 H new ATOM 180 N PRO A 56 -14.491 -6.197 -8.433 1.00 0.00 N ATOM 181 CA PRO A 56 -15.324 -7.109 -7.627 1.00 0.00 C ATOM 182 C PRO A 56 -16.395 -6.364 -6.808 1.00 0.00 C ATOM 183 O PRO A 56 -16.814 -5.263 -7.180 1.00 0.00 O ATOM 184 CB PRO A 56 -14.290 -7.791 -6.712 1.00 0.00 C ATOM 185 CG PRO A 56 -13.177 -6.809 -6.607 1.00 0.00 C ATOM 186 CD PRO A 56 -13.096 -6.150 -7.950 1.00 0.00 C ATOM 0 HA PRO A 56 -15.896 -7.806 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.714 -8.016 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.947 -8.735 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.372 -6.078 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.239 -7.304 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.730 -5.126 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.420 -6.682 -8.619 1.00 0.00 H new ATOM 194 N TYR A 57 -16.843 -6.971 -5.704 1.00 0.00 N ATOM 195 CA TYR A 57 -17.860 -6.364 -4.843 1.00 0.00 C ATOM 196 C TYR A 57 -17.293 -5.133 -4.100 1.00 0.00 C ATOM 197 O TYR A 57 -16.487 -4.393 -4.658 1.00 0.00 O ATOM 198 CB TYR A 57 -18.389 -7.418 -3.856 1.00 0.00 C ATOM 199 CG TYR A 57 -19.889 -7.373 -3.639 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.603 -6.185 -3.759 1.00 0.00 C ATOM 201 CD2 TYR A 57 -20.590 -8.526 -3.310 1.00 0.00 C ATOM 202 CE1 TYR A 57 -21.971 -6.152 -3.558 1.00 0.00 C ATOM 203 CE2 TYR A 57 -21.958 -8.498 -3.109 1.00 0.00 C ATOM 204 CZ TYR A 57 -22.642 -7.310 -3.233 1.00 0.00 C ATOM 205 OH TYR A 57 -24.000 -7.279 -3.033 1.00 0.00 O ATOM 0 H TYR A 57 -16.516 -7.883 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 57 -18.688 -6.014 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.116 -8.409 -4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.891 -7.282 -2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.081 -5.274 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.058 -9.460 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.511 -5.222 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.487 -9.405 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 57 -24.319 -8.179 -2.812 1.00 0.00 H new ATOM 215 N THR A 58 -17.721 -4.915 -2.850 1.00 0.00 N ATOM 216 CA THR A 58 -17.252 -3.770 -2.051 1.00 0.00 C ATOM 217 C THR A 58 -15.733 -3.584 -2.164 1.00 0.00 C ATOM 218 O THR A 58 -14.976 -4.557 -2.213 1.00 0.00 O ATOM 219 CB THR A 58 -17.662 -3.940 -0.585 1.00 0.00 C ATOM 220 OG1 THR A 58 -17.336 -2.784 0.163 1.00 0.00 O ATOM 221 CG2 THR A 58 -17.007 -5.120 0.095 1.00 0.00 C ATOM 0 H THR A 58 -18.391 -5.515 -2.368 1.00 0.00 H new ATOM 0 HA THR A 58 -17.724 -2.872 -2.450 1.00 0.00 H new ATOM 0 HB THR A 58 -18.738 -4.110 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.607 -2.911 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.345 -5.177 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.279 -6.038 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.924 -4.998 0.073 1.00 0.00 H new ATOM 229 N TYR A 59 -15.297 -2.323 -2.220 1.00 0.00 N ATOM 230 CA TYR A 59 -13.872 -2.003 -2.351 1.00 0.00 C ATOM 231 C TYR A 59 -13.318 -1.266 -1.126 1.00 0.00 C ATOM 232 O TYR A 59 -14.034 -0.988 -0.165 1.00 0.00 O ATOM 233 CB TYR A 59 -13.643 -1.137 -3.596 1.00 0.00 C ATOM 234 CG TYR A 59 -14.284 -1.674 -4.853 1.00 0.00 C ATOM 235 CD1 TYR A 59 -15.608 -1.393 -5.155 1.00 0.00 C ATOM 236 CD2 TYR A 59 -13.561 -2.462 -5.736 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.195 -1.884 -6.304 1.00 0.00 C ATOM 238 CE2 TYR A 59 -14.141 -2.954 -6.887 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.457 -2.662 -7.163 1.00 0.00 C ATOM 240 OH TYR A 59 -16.039 -3.162 -8.299 1.00 0.00 O ATOM 0 H TYR A 59 -15.909 -1.508 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.343 -2.952 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -14.030 -0.136 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.570 -1.038 -3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.189 -0.781 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.529 -2.694 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.227 -1.658 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.566 -3.565 -7.567 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.694 -3.849 -8.056 1.00 0.00 H new ATOM 250 N CYS A 60 -12.028 -0.932 -1.196 1.00 0.00 N ATOM 251 CA CYS A 60 -11.341 -0.198 -0.127 1.00 0.00 C ATOM 252 C CYS A 60 -11.408 1.310 -0.410 1.00 0.00 C ATOM 253 O CYS A 60 -12.217 1.756 -1.221 1.00 0.00 O ATOM 254 CB CYS A 60 -9.877 -0.663 -0.033 1.00 0.00 C ATOM 255 SG CYS A 60 -9.262 -0.875 1.666 1.00 0.00 S ATOM 0 H CYS A 60 -11.431 -1.161 -1.991 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.832 -0.399 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.775 -1.609 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.245 0.061 -0.547 1.00 0.00 H new ATOM 260 N ASN A 61 -10.550 2.090 0.239 1.00 0.00 N ATOM 261 CA ASN A 61 -10.522 3.534 0.014 1.00 0.00 C ATOM 262 C ASN A 61 -9.153 3.975 -0.490 1.00 0.00 C ATOM 263 O ASN A 61 -8.129 3.708 0.148 1.00 0.00 O ATOM 264 CB ASN A 61 -10.881 4.295 1.288 1.00 0.00 C ATOM 265 CG ASN A 61 -10.888 5.801 1.092 1.00 0.00 C ATOM 266 OD1 ASN A 61 -9.978 6.496 1.531 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.916 6.313 0.430 1.00 0.00 N ATOM 0 H ASN A 61 -9.870 1.752 0.920 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.267 3.766 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.864 3.974 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.168 4.039 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.970 7.319 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.653 5.701 0.081 1.00 0.00 H new ATOM 274 N THR A 62 -9.155 4.639 -1.640 1.00 0.00 N ATOM 275 CA THR A 62 -7.928 5.129 -2.263 1.00 0.00 C ATOM 276 C THR A 62 -7.223 6.148 -1.375 1.00 0.00 C ATOM 277 O THR A 62 -7.401 7.358 -1.528 1.00 0.00 O ATOM 278 CB THR A 62 -8.226 5.739 -3.638 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.935 4.820 -4.454 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.980 6.145 -4.394 1.00 0.00 C ATOM 0 H THR A 62 -10.002 4.853 -2.166 1.00 0.00 H new ATOM 0 HA THR A 62 -7.261 4.277 -2.394 1.00 0.00 H new ATOM 0 HB THR A 62 -8.820 6.630 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.117 5.229 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.261 6.569 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.430 6.889 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.349 5.270 -4.553 1.00 0.00 H new ATOM 288 N THR A 63 -6.416 5.640 -0.447 1.00 0.00 N ATOM 289 CA THR A 63 -5.670 6.492 0.475 1.00 0.00 C ATOM 290 C THR A 63 -4.161 6.324 0.287 1.00 0.00 C ATOM 291 O THR A 63 -3.699 5.378 -0.361 1.00 0.00 O ATOM 292 CB THR A 63 -6.055 6.181 1.925 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.439 7.098 2.811 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.666 4.790 2.373 1.00 0.00 C ATOM 0 H THR A 63 -6.262 4.641 -0.314 1.00 0.00 H new ATOM 0 HA THR A 63 -5.929 7.527 0.253 1.00 0.00 H new ATOM 0 HB THR A 63 -7.142 6.261 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.697 6.886 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.971 4.643 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.161 4.053 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.586 4.670 2.292 1.00 0.00 H new ATOM 302 N LEU A 64 -3.400 7.245 0.866 1.00 0.00 N ATOM 303 CA LEU A 64 -1.945 7.212 0.778 1.00 0.00 C ATOM 304 C LEU A 64 -1.332 7.128 2.176 1.00 0.00 C ATOM 305 O LEU A 64 -1.737 7.844 3.094 1.00 0.00 O ATOM 306 CB LEU A 64 -1.442 8.448 0.019 1.00 0.00 C ATOM 307 CG LEU A 64 0.078 8.606 -0.119 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.674 9.231 1.130 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.743 7.271 -0.420 1.00 0.00 C ATOM 0 H LEU A 64 -3.769 8.029 1.405 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.636 6.324 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.874 8.431 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.831 9.335 0.519 1.00 0.00 H new ATOM 0 HG LEU A 64 0.267 9.274 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.752 9.332 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.233 10.215 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.465 8.595 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.820 7.414 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.538 6.571 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.348 6.870 -1.354 1.00 0.00 H new ATOM 321 N ASP A 65 -0.366 6.232 2.325 1.00 0.00 N ATOM 322 CA ASP A 65 0.312 6.017 3.605 1.00 0.00 C ATOM 323 C ASP A 65 1.794 6.404 3.516 1.00 0.00 C ATOM 324 O ASP A 65 2.212 7.053 2.559 1.00 0.00 O ATOM 325 CB ASP A 65 0.160 4.545 4.013 1.00 0.00 C ATOM 326 CG ASP A 65 0.152 4.346 5.514 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.246 4.346 6.115 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.946 4.177 6.087 1.00 0.00 O ATOM 0 H ASP A 65 -0.029 5.635 1.570 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.147 6.653 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.766 4.151 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.976 3.967 3.580 1.00 0.00 H new ATOM 333 N GLN A 66 2.584 5.997 4.514 1.00 0.00 N ATOM 334 CA GLN A 66 4.017 6.296 4.540 1.00 0.00 C ATOM 335 C GLN A 66 4.668 5.961 3.195 1.00 0.00 C ATOM 336 O GLN A 66 5.434 6.758 2.651 1.00 0.00 O ATOM 337 CB GLN A 66 4.700 5.514 5.666 1.00 0.00 C ATOM 338 CG GLN A 66 5.851 6.267 6.323 1.00 0.00 C ATOM 339 CD GLN A 66 7.096 5.417 6.487 1.00 0.00 C ATOM 340 OE1 GLN A 66 8.190 5.822 6.102 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.941 4.230 7.059 1.00 0.00 N ATOM 0 H GLN A 66 2.254 5.459 5.315 1.00 0.00 H new ATOM 0 HA GLN A 66 4.140 7.363 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.959 5.266 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.075 4.572 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.093 7.145 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.532 6.627 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.016 3.929 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.747 3.619 7.192 1.00 0.00 H new ATOM 350 N ILE A 67 4.340 4.786 2.656 1.00 0.00 N ATOM 351 CA ILE A 67 4.874 4.361 1.365 1.00 0.00 C ATOM 352 C ILE A 67 4.108 5.036 0.227 1.00 0.00 C ATOM 353 O ILE A 67 2.891 5.207 0.303 1.00 0.00 O ATOM 354 CB ILE A 67 4.799 2.826 1.172 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.230 2.080 2.443 1.00 0.00 C ATOM 356 CG2 ILE A 67 5.666 2.400 -0.003 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.674 2.321 2.825 1.00 0.00 C ATOM 0 H ILE A 67 3.709 4.115 3.093 1.00 0.00 H new ATOM 0 HA ILE A 67 5.923 4.657 1.348 1.00 0.00 H new ATOM 0 HB ILE A 67 3.761 2.566 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.588 2.386 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.075 1.011 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.604 1.319 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.315 2.891 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.701 2.685 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.909 1.763 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.325 1.989 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.831 3.385 3.003 1.00 0.00 H new ATOM 369 N GLY A 68 4.826 5.406 -0.833 1.00 0.00 N ATOM 370 CA GLY A 68 4.195 6.056 -1.983 1.00 0.00 C ATOM 371 C GLY A 68 3.210 5.166 -2.737 1.00 0.00 C ATOM 372 O GLY A 68 2.585 5.613 -3.702 1.00 0.00 O ATOM 0 H GLY A 68 5.833 5.269 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.673 6.949 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.972 6.386 -2.673 1.00 0.00 H new ATOM 376 N THR A 69 3.064 3.911 -2.307 1.00 0.00 N ATOM 377 CA THR A 69 2.148 2.975 -2.956 1.00 0.00 C ATOM 378 C THR A 69 0.692 3.292 -2.615 1.00 0.00 C ATOM 379 O THR A 69 0.045 2.540 -1.882 1.00 0.00 O ATOM 380 CB THR A 69 2.477 1.528 -2.557 1.00 0.00 C ATOM 381 OG1 THR A 69 1.613 0.627 -3.225 1.00 0.00 O ATOM 382 CG2 THR A 69 2.357 1.253 -1.066 1.00 0.00 C ATOM 0 H THR A 69 3.569 3.521 -1.512 1.00 0.00 H new ATOM 0 HA THR A 69 2.278 3.084 -4.033 1.00 0.00 H new ATOM 0 HB THR A 69 3.519 1.384 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.833 0.610 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.605 0.210 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.044 1.900 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.336 1.451 -0.741 1.00 0.00 H new ATOM 390 N CYS A 70 0.174 4.401 -3.152 1.00 0.00 N ATOM 391 CA CYS A 70 -1.219 4.791 -2.904 1.00 0.00 C ATOM 392 C CYS A 70 -2.117 3.560 -2.966 1.00 0.00 C ATOM 393 O CYS A 70 -2.046 2.785 -3.922 1.00 0.00 O ATOM 394 CB CYS A 70 -1.684 5.824 -3.929 1.00 0.00 C ATOM 395 SG CYS A 70 -0.892 7.457 -3.757 1.00 0.00 S ATOM 0 H CYS A 70 0.692 5.040 -3.756 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.282 5.238 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.486 5.440 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.764 5.945 -3.842 1.00 0.00 H new ATOM 400 N TRP A 71 -2.933 3.364 -1.939 1.00 0.00 N ATOM 401 CA TRP A 71 -3.812 2.200 -1.876 1.00 0.00 C ATOM 402 C TRP A 71 -5.232 2.541 -2.327 1.00 0.00 C ATOM 403 O TRP A 71 -6.066 2.931 -1.511 1.00 0.00 O ATOM 404 CB TRP A 71 -3.832 1.630 -0.448 1.00 0.00 C ATOM 405 CG TRP A 71 -2.490 1.634 0.230 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.924 2.669 0.922 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.551 0.553 0.288 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.690 2.295 1.402 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.440 1.002 1.025 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.543 -0.752 -0.213 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.666 0.192 1.273 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.446 -1.556 0.033 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.646 -1.082 0.770 1.00 0.00 C ATOM 0 H TRP A 71 -3.006 3.993 -1.139 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.418 1.448 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.533 2.208 0.153 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.208 0.607 -0.481 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.379 3.637 1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.063 2.885 1.950 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.381 -1.126 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.509 0.556 1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.431 -2.566 -0.349 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.489 -1.734 0.945 1.00 0.00 H new ATOM 424 N PRO A 72 -5.531 2.389 -3.640 1.00 0.00 N ATOM 425 CA PRO A 72 -6.865 2.675 -4.188 1.00 0.00 C ATOM 426 C PRO A 72 -7.947 1.772 -3.600 1.00 0.00 C ATOM 427 O PRO A 72 -7.658 0.874 -2.800 1.00 0.00 O ATOM 428 CB PRO A 72 -6.717 2.410 -5.687 1.00 0.00 C ATOM 429 CG PRO A 72 -5.512 1.547 -5.813 1.00 0.00 C ATOM 430 CD PRO A 72 -4.601 1.924 -4.682 1.00 0.00 C ATOM 0 HA PRO A 72 -7.178 3.692 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.601 1.914 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.595 3.341 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.782 0.492 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.022 1.702 -6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.008 1.075 -4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.900 2.706 -4.974 1.00 0.00 H new ATOM 438 N GLN A 73 -9.195 2.016 -3.997 1.00 0.00 N ATOM 439 CA GLN A 73 -10.318 1.222 -3.504 1.00 0.00 C ATOM 440 C GLN A 73 -10.212 -0.236 -3.963 1.00 0.00 C ATOM 441 O GLN A 73 -10.817 -0.646 -4.954 1.00 0.00 O ATOM 442 CB GLN A 73 -11.668 1.838 -3.908 1.00 0.00 C ATOM 443 CG GLN A 73 -11.836 2.133 -5.391 1.00 0.00 C ATOM 444 CD GLN A 73 -13.060 2.988 -5.664 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.075 2.878 -4.981 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.979 3.848 -6.664 1.00 0.00 N ATOM 0 H GLN A 73 -9.453 2.752 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.270 1.231 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.464 1.161 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.805 2.766 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.947 2.643 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.919 1.195 -5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.121 3.914 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.775 4.446 -6.888 1.00 0.00 H new ATOM 455 N SER A 74 -9.421 -1.004 -3.217 1.00 0.00 N ATOM 456 CA SER A 74 -9.190 -2.421 -3.493 1.00 0.00 C ATOM 457 C SER A 74 -10.403 -3.269 -3.087 1.00 0.00 C ATOM 458 O SER A 74 -11.318 -3.473 -3.882 1.00 0.00 O ATOM 459 CB SER A 74 -7.941 -2.894 -2.735 1.00 0.00 C ATOM 460 OG SER A 74 -7.724 -2.103 -1.578 1.00 0.00 O ATOM 0 H SER A 74 -8.919 -0.659 -2.399 1.00 0.00 H new ATOM 0 HA SER A 74 -9.037 -2.544 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.058 -3.939 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.070 -2.837 -3.388 1.00 0.00 H new ATOM 0 HG SER A 74 -6.828 -2.282 -1.223 1.00 0.00 H new ATOM 466 N ALA A 75 -10.397 -3.757 -1.840 1.00 0.00 N ATOM 467 CA ALA A 75 -11.486 -4.582 -1.311 1.00 0.00 C ATOM 468 C ALA A 75 -11.190 -5.011 0.128 1.00 0.00 C ATOM 469 O ALA A 75 -10.062 -5.391 0.445 1.00 0.00 O ATOM 470 CB ALA A 75 -11.711 -5.805 -2.195 1.00 0.00 C ATOM 0 H ALA A 75 -9.642 -3.592 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.397 -3.983 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.524 -6.405 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.970 -5.482 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.800 -6.402 -2.228 1.00 0.00 H new ATOM 476 N PRO A 76 -12.200 -4.953 1.021 1.00 0.00 N ATOM 477 CA PRO A 76 -12.050 -5.328 2.433 1.00 0.00 C ATOM 478 C PRO A 76 -11.243 -6.616 2.633 1.00 0.00 C ATOM 479 O PRO A 76 -10.331 -6.667 3.456 1.00 0.00 O ATOM 480 CB PRO A 76 -13.498 -5.513 2.920 1.00 0.00 C ATOM 481 CG PRO A 76 -14.374 -5.299 1.726 1.00 0.00 C ATOM 482 CD PRO A 76 -13.567 -4.511 0.736 1.00 0.00 C ATOM 0 HA PRO A 76 -11.495 -4.570 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.644 -6.510 3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.736 -4.801 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.687 -6.252 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.281 -4.761 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.859 -4.729 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.685 -3.437 0.879 1.00 0.00 H new ATOM 490 N GLY A 77 -11.577 -7.656 1.876 1.00 0.00 N ATOM 491 CA GLY A 77 -10.863 -8.917 1.997 1.00 0.00 C ATOM 492 C GLY A 77 -9.797 -9.090 0.931 1.00 0.00 C ATOM 493 O GLY A 77 -9.650 -10.173 0.364 1.00 0.00 O ATOM 0 H GLY A 77 -12.326 -7.650 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.399 -8.974 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.574 -9.740 1.931 1.00 0.00 H new ATOM 497 N ALA A 78 -9.057 -8.017 0.651 1.00 0.00 N ATOM 498 CA ALA A 78 -8.006 -8.059 -0.360 1.00 0.00 C ATOM 499 C ALA A 78 -6.631 -7.750 0.238 1.00 0.00 C ATOM 500 O ALA A 78 -6.359 -6.620 0.655 1.00 0.00 O ATOM 501 CB ALA A 78 -8.329 -7.087 -1.487 1.00 0.00 C ATOM 0 H ALA A 78 -9.167 -7.112 1.109 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.966 -9.072 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.539 -7.125 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.279 -7.364 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.401 -6.076 -1.086 1.00 0.00 H new ATOM 507 N LEU A 79 -5.767 -8.759 0.260 1.00 0.00 N ATOM 508 CA LEU A 79 -4.413 -8.602 0.785 1.00 0.00 C ATOM 509 C LEU A 79 -3.508 -7.979 -0.278 1.00 0.00 C ATOM 510 O LEU A 79 -3.112 -8.643 -1.240 1.00 0.00 O ATOM 511 CB LEU A 79 -3.853 -9.959 1.233 1.00 0.00 C ATOM 512 CG LEU A 79 -2.484 -9.915 1.919 1.00 0.00 C ATOM 513 CD1 LEU A 79 -2.315 -11.105 2.845 1.00 0.00 C ATOM 514 CD2 LEU A 79 -1.366 -9.884 0.888 1.00 0.00 C ATOM 0 H LEU A 79 -5.980 -9.697 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.447 -7.940 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.567 -10.419 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.782 -10.609 0.361 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.430 -9.002 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.337 -11.057 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.094 -11.086 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.393 -12.028 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.403 -9.853 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.419 -10.778 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.474 -8.999 0.261 1.00 0.00 H new ATOM 526 N VAL A 80 -3.190 -6.698 -0.108 1.00 0.00 N ATOM 527 CA VAL A 80 -2.335 -5.997 -1.061 1.00 0.00 C ATOM 528 C VAL A 80 -0.860 -6.239 -0.747 1.00 0.00 C ATOM 529 O VAL A 80 -0.418 -6.086 0.394 1.00 0.00 O ATOM 530 CB VAL A 80 -2.634 -4.482 -1.091 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.789 -3.786 -2.147 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.115 -4.243 -1.350 1.00 0.00 C ATOM 0 H VAL A 80 -3.509 -6.128 0.675 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.555 -6.400 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.377 -4.061 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.016 -2.720 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.733 -3.931 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.012 -4.207 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.313 -3.171 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.392 -4.680 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.702 -4.706 -0.557 1.00 0.00 H new ATOM 542 N GLU A 81 -0.108 -6.641 -1.768 1.00 0.00 N ATOM 543 CA GLU A 81 1.316 -6.935 -1.610 1.00 0.00 C ATOM 544 C GLU A 81 2.199 -5.857 -2.237 1.00 0.00 C ATOM 545 O GLU A 81 1.953 -5.409 -3.359 1.00 0.00 O ATOM 546 CB GLU A 81 1.636 -8.297 -2.228 1.00 0.00 C ATOM 547 CG GLU A 81 2.785 -9.017 -1.543 1.00 0.00 C ATOM 548 CD GLU A 81 2.684 -10.526 -1.642 1.00 0.00 C ATOM 549 OE1 GLU A 81 1.624 -11.080 -1.282 1.00 0.00 O ATOM 550 OE2 GLU A 81 3.674 -11.154 -2.070 1.00 0.00 O ATOM 0 H GLU A 81 -0.461 -6.771 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 81 1.532 -6.954 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.746 -8.925 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.879 -8.161 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.726 -8.692 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.812 -8.729 -0.492 1.00 0.00 H new ATOM 557 N ARG A 82 3.232 -5.455 -1.501 1.00 0.00 N ATOM 558 CA ARG A 82 4.169 -4.438 -1.966 1.00 0.00 C ATOM 559 C ARG A 82 5.619 -4.876 -1.729 1.00 0.00 C ATOM 560 O ARG A 82 6.279 -4.384 -0.813 1.00 0.00 O ATOM 561 CB ARG A 82 3.896 -3.108 -1.257 1.00 0.00 C ATOM 562 CG ARG A 82 2.725 -2.332 -1.842 1.00 0.00 C ATOM 563 CD ARG A 82 2.942 -2.016 -3.315 1.00 0.00 C ATOM 564 NE ARG A 82 4.229 -1.347 -3.546 1.00 0.00 N ATOM 565 CZ ARG A 82 4.954 -1.464 -4.654 1.00 0.00 C ATOM 566 NH1 ARG A 82 4.508 -2.161 -5.685 1.00 0.00 N ATOM 567 NH2 ARG A 82 6.126 -0.868 -4.730 1.00 0.00 N ATOM 0 H ARG A 82 3.442 -5.822 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 82 4.025 -4.307 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.701 -3.302 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.792 -2.489 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.809 -2.911 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.589 -1.404 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.903 -2.939 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.132 -1.380 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 82 4.592 -0.750 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.597 -2.617 -5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.075 -2.242 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.472 -0.321 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.688 -0.954 -5.577 1.00 0.00 H new ATOM 581 N PRO A 83 6.128 -5.812 -2.562 1.00 0.00 N ATOM 582 CA PRO A 83 7.498 -6.326 -2.459 1.00 0.00 C ATOM 583 C PRO A 83 8.490 -5.290 -1.931 1.00 0.00 C ATOM 584 O PRO A 83 8.545 -4.162 -2.428 1.00 0.00 O ATOM 585 CB PRO A 83 7.805 -6.685 -3.907 1.00 0.00 C ATOM 586 CG PRO A 83 6.499 -7.160 -4.457 1.00 0.00 C ATOM 587 CD PRO A 83 5.410 -6.445 -3.685 1.00 0.00 C ATOM 0 HA PRO A 83 7.585 -7.153 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.179 -5.823 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.569 -7.460 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.426 -6.940 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.404 -8.240 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.903 -5.704 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.649 -7.140 -3.331 1.00 0.00 H new ATOM 595 N CYS A 84 9.269 -5.677 -0.917 1.00 0.00 N ATOM 596 CA CYS A 84 10.256 -4.778 -0.315 1.00 0.00 C ATOM 597 C CYS A 84 11.118 -4.111 -1.386 1.00 0.00 C ATOM 598 O CYS A 84 11.979 -4.749 -1.996 1.00 0.00 O ATOM 599 CB CYS A 84 11.143 -5.525 0.685 1.00 0.00 C ATOM 600 SG CYS A 84 11.507 -4.579 2.201 1.00 0.00 S ATOM 0 H CYS A 84 9.235 -6.606 -0.497 1.00 0.00 H new ATOM 0 HA CYS A 84 9.709 -4.002 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.655 -6.460 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 84 12.082 -5.787 0.198 1.00 0.00 H new ATOM 605 N PRO A 85 10.877 -2.814 -1.635 1.00 0.00 N ATOM 606 CA PRO A 85 11.609 -2.039 -2.650 1.00 0.00 C ATOM 607 C PRO A 85 13.020 -1.632 -2.205 1.00 0.00 C ATOM 608 O PRO A 85 13.236 -1.294 -1.039 1.00 0.00 O ATOM 609 CB PRO A 85 10.733 -0.799 -2.807 1.00 0.00 C ATOM 610 CG PRO A 85 10.155 -0.612 -1.455 1.00 0.00 C ATOM 611 CD PRO A 85 9.854 -1.993 -0.959 1.00 0.00 C ATOM 0 HA PRO A 85 11.767 -2.613 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.316 0.068 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.957 -0.948 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.856 -0.101 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.252 -0.003 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.934 -2.059 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.844 -2.307 -1.224 1.00 0.00 H new ATOM 619 N GLU A 86 13.971 -1.655 -3.143 1.00 0.00 N ATOM 620 CA GLU A 86 15.355 -1.280 -2.845 1.00 0.00 C ATOM 621 C GLU A 86 15.455 0.210 -2.501 1.00 0.00 C ATOM 622 O GLU A 86 15.824 0.578 -1.386 1.00 0.00 O ATOM 623 CB GLU A 86 16.275 -1.610 -4.026 1.00 0.00 C ATOM 624 CG GLU A 86 17.688 -1.986 -3.598 1.00 0.00 C ATOM 625 CD GLU A 86 18.112 -3.357 -4.086 1.00 0.00 C ATOM 626 OE1 GLU A 86 18.470 -3.477 -5.275 1.00 0.00 O ATOM 627 OE2 GLU A 86 18.088 -4.309 -3.278 1.00 0.00 O ATOM 0 H GLU A 86 13.808 -1.929 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 86 15.678 -1.859 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.844 -2.433 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.321 -0.750 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.387 -1.240 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.751 -1.959 -2.510 1.00 0.00 H new ATOM 634 N TYR A 87 15.111 1.065 -3.468 1.00 0.00 N ATOM 635 CA TYR A 87 15.152 2.516 -3.268 1.00 0.00 C ATOM 636 C TYR A 87 13.814 3.021 -2.717 1.00 0.00 C ATOM 637 O TYR A 87 13.038 3.674 -3.419 1.00 0.00 O ATOM 638 CB TYR A 87 15.493 3.219 -4.588 1.00 0.00 C ATOM 639 CG TYR A 87 16.039 4.621 -4.417 1.00 0.00 C ATOM 640 CD1 TYR A 87 17.372 4.834 -4.085 1.00 0.00 C ATOM 641 CD2 TYR A 87 15.223 5.731 -4.597 1.00 0.00 C ATOM 642 CE1 TYR A 87 17.874 6.115 -3.938 1.00 0.00 C ATOM 643 CE2 TYR A 87 15.720 7.013 -4.450 1.00 0.00 C ATOM 644 CZ TYR A 87 17.045 7.199 -4.122 1.00 0.00 C ATOM 645 OH TYR A 87 17.544 8.473 -3.982 1.00 0.00 O ATOM 0 H TYR A 87 14.801 0.778 -4.396 1.00 0.00 H new ATOM 0 HA TYR A 87 15.928 2.748 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.225 2.619 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.597 3.262 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.026 3.987 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.184 5.590 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.912 6.264 -3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.072 7.865 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 87 16.830 9.124 -4.146 1.00 0.00 H new ATOM 655 N PHE A 88 13.550 2.698 -1.451 1.00 0.00 N ATOM 656 CA PHE A 88 12.306 3.098 -0.784 1.00 0.00 C ATOM 657 C PHE A 88 12.385 2.838 0.726 1.00 0.00 C ATOM 658 O PHE A 88 11.428 2.346 1.333 1.00 0.00 O ATOM 659 CB PHE A 88 11.128 2.317 -1.374 1.00 0.00 C ATOM 660 CG PHE A 88 9.987 3.166 -1.858 1.00 0.00 C ATOM 661 CD1 PHE A 88 9.477 4.187 -1.074 1.00 0.00 C ATOM 662 CD2 PHE A 88 9.414 2.925 -3.094 1.00 0.00 C ATOM 663 CE1 PHE A 88 8.418 4.955 -1.518 1.00 0.00 C ATOM 664 CE2 PHE A 88 8.357 3.689 -3.546 1.00 0.00 C ATOM 665 CZ PHE A 88 7.857 4.706 -2.755 1.00 0.00 C ATOM 0 H PHE A 88 14.183 2.157 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 88 12.160 4.166 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.491 1.713 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.753 1.627 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.912 4.385 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.799 2.128 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.029 5.749 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.922 3.493 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.029 5.305 -3.104 1.00 0.00 H new ATOM 675 N ASN A 89 13.529 3.156 1.327 1.00 0.00 N ATOM 676 CA ASN A 89 13.731 2.942 2.760 1.00 0.00 C ATOM 677 C ASN A 89 14.973 3.681 3.258 1.00 0.00 C ATOM 678 O ASN A 89 15.710 4.278 2.470 1.00 0.00 O ATOM 679 CB ASN A 89 13.881 1.439 3.042 1.00 0.00 C ATOM 680 CG ASN A 89 13.161 1.013 4.304 1.00 0.00 C ATOM 681 OD1 ASN A 89 13.461 1.499 5.392 1.00 0.00 O ATOM 682 ND2 ASN A 89 12.207 0.106 4.167 1.00 0.00 N ATOM 0 H ASN A 89 14.331 3.563 0.845 1.00 0.00 H new ATOM 0 HA ASN A 89 12.862 3.334 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.491 0.873 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.939 1.193 3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.688 -0.216 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.991 -0.271 3.244 1.00 0.00 H new ATOM 689 N GLY A 90 15.217 3.612 4.569 1.00 0.00 N ATOM 690 CA GLY A 90 16.396 4.251 5.145 1.00 0.00 C ATOM 691 C GLY A 90 17.695 3.574 4.722 1.00 0.00 C ATOM 692 O GLY A 90 18.783 4.051 5.044 1.00 0.00 O ATOM 0 H GLY A 90 14.622 3.127 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.421 5.298 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.319 4.234 6.232 1.00 0.00 H new ATOM 696 N ILE A 91 17.572 2.461 3.993 1.00 0.00 N ATOM 697 CA ILE A 91 18.718 1.705 3.508 1.00 0.00 C ATOM 698 C ILE A 91 18.573 1.450 2.002 1.00 0.00 C ATOM 699 O ILE A 91 17.456 1.400 1.482 1.00 0.00 O ATOM 700 CB ILE A 91 18.845 0.374 4.286 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.520 0.605 5.639 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.613 -0.664 3.491 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.676 1.581 5.596 1.00 0.00 C ATOM 0 H ILE A 91 16.672 2.063 3.725 1.00 0.00 H new ATOM 0 HA ILE A 91 19.628 2.282 3.674 1.00 0.00 H new ATOM 0 HB ILE A 91 17.837 -0.007 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.776 0.971 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.880 -0.350 6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.683 -1.586 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.094 -0.861 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.615 -0.292 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.099 1.688 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.442 1.208 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.321 2.550 5.246 1.00 0.00 H new ATOM 715 N LYS A 92 19.697 1.316 1.294 1.00 0.00 N ATOM 716 CA LYS A 92 19.659 1.105 -0.156 1.00 0.00 C ATOM 717 C LYS A 92 20.183 -0.281 -0.578 1.00 0.00 C ATOM 718 O LYS A 92 21.351 -0.443 -0.927 1.00 0.00 O ATOM 719 CB LYS A 92 20.402 2.257 -0.871 1.00 0.00 C ATOM 720 CG LYS A 92 21.931 2.170 -0.895 1.00 0.00 C ATOM 721 CD LYS A 92 22.545 2.277 0.497 1.00 0.00 C ATOM 722 CE LYS A 92 23.152 0.955 0.951 1.00 0.00 C ATOM 723 NZ LYS A 92 24.494 1.146 1.578 1.00 0.00 N ATOM 0 H LYS A 92 20.634 1.349 1.695 1.00 0.00 H new ATOM 0 HA LYS A 92 18.615 1.118 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.046 2.306 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.121 3.195 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.231 1.225 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.327 2.966 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.314 3.049 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.781 2.589 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.483 0.474 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.242 0.284 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.910 0.218 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.115 1.658 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.392 1.695 2.455 1.00 0.00 H new ATOM 737 N TYR A 93 19.284 -1.275 -0.552 1.00 0.00 N ATOM 738 CA TYR A 93 19.593 -2.668 -0.935 1.00 0.00 C ATOM 739 C TYR A 93 18.538 -3.629 -0.361 1.00 0.00 C ATOM 740 O TYR A 93 17.559 -3.200 0.252 1.00 0.00 O ATOM 741 CB TYR A 93 20.987 -3.103 -0.433 1.00 0.00 C ATOM 742 CG TYR A 93 20.943 -3.864 0.875 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.251 -3.345 1.953 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.564 -5.096 1.025 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.176 -4.021 3.148 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.492 -5.785 2.223 1.00 0.00 C ATOM 747 CZ TYR A 93 20.798 -5.240 3.281 1.00 0.00 C ATOM 748 OH TYR A 93 20.728 -5.912 4.477 1.00 0.00 O ATOM 0 H TYR A 93 18.315 -1.139 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 93 19.584 -2.709 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.460 -3.726 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 93 21.613 -2.219 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.759 -2.389 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.110 -5.522 0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.631 -3.596 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.977 -6.744 2.328 1.00 0.00 H new ATOM 0 HH TYR A 93 20.757 -5.269 5.216 1.00 0.00 H new ATOM 758 N ASN A 94 18.787 -4.933 -0.525 1.00 0.00 N ATOM 759 CA ASN A 94 17.912 -5.976 0.011 1.00 0.00 C ATOM 760 C ASN A 94 16.436 -5.746 -0.365 1.00 0.00 C ATOM 761 O ASN A 94 15.549 -5.698 0.487 1.00 0.00 O ATOM 762 CB ASN A 94 18.136 -6.066 1.537 1.00 0.00 C ATOM 763 CG ASN A 94 17.017 -6.747 2.302 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.738 -7.932 2.113 1.00 0.00 O ATOM 765 ND2 ASN A 94 16.383 -6.009 3.194 1.00 0.00 N ATOM 0 H ASN A 94 19.597 -5.292 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 94 18.169 -6.935 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.065 -6.604 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.267 -5.058 1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.635 -6.417 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.641 -5.031 3.323 1.00 0.00 H new ATOM 772 N THR A 95 16.175 -5.633 -1.668 1.00 0.00 N ATOM 773 CA THR A 95 14.808 -5.441 -2.161 1.00 0.00 C ATOM 774 C THR A 95 14.164 -6.789 -2.520 1.00 0.00 C ATOM 775 O THR A 95 13.327 -6.878 -3.419 1.00 0.00 O ATOM 776 CB THR A 95 14.794 -4.490 -3.369 1.00 0.00 C ATOM 777 OG1 THR A 95 13.470 -4.205 -3.799 1.00 0.00 O ATOM 778 CG2 THR A 95 15.544 -5.010 -4.568 1.00 0.00 C ATOM 0 H THR A 95 16.886 -5.671 -2.398 1.00 0.00 H new ATOM 0 HA THR A 95 14.220 -4.986 -1.364 1.00 0.00 H new ATOM 0 HB THR A 95 15.293 -3.593 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.839 -4.780 -3.318 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.487 -4.282 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.588 -5.175 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.101 -5.951 -4.895 1.00 0.00 H new ATOM 786 N THR A 96 14.563 -7.840 -1.796 1.00 0.00 N ATOM 787 CA THR A 96 14.037 -9.188 -2.017 1.00 0.00 C ATOM 788 C THR A 96 12.947 -9.546 -1.000 1.00 0.00 C ATOM 789 O THR A 96 12.216 -10.517 -1.191 1.00 0.00 O ATOM 790 CB THR A 96 15.170 -10.214 -1.938 1.00 0.00 C ATOM 791 OG1 THR A 96 16.132 -9.823 -0.974 1.00 0.00 O ATOM 792 CG2 THR A 96 15.897 -10.410 -3.251 1.00 0.00 C ATOM 0 H THR A 96 15.253 -7.780 -1.047 1.00 0.00 H new ATOM 0 HA THR A 96 13.591 -9.208 -3.011 1.00 0.00 H new ATOM 0 HB THR A 96 14.689 -11.153 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.848 -10.491 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.687 -11.150 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.194 -10.757 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.335 -9.464 -3.569 1.00 0.00 H new ATOM 800 N ARG A 97 12.833 -8.759 0.076 1.00 0.00 N ATOM 801 CA ARG A 97 11.815 -9.009 1.099 1.00 0.00 C ATOM 802 C ARG A 97 10.415 -8.701 0.559 1.00 0.00 C ATOM 803 O ARG A 97 10.248 -8.379 -0.620 1.00 0.00 O ATOM 804 CB ARG A 97 12.092 -8.175 2.356 1.00 0.00 C ATOM 805 CG ARG A 97 12.591 -8.993 3.539 1.00 0.00 C ATOM 806 CD ARG A 97 14.106 -9.126 3.525 1.00 0.00 C ATOM 807 NE ARG A 97 14.622 -9.634 4.801 1.00 0.00 N ATOM 808 CZ ARG A 97 15.912 -9.691 5.121 1.00 0.00 C ATOM 809 NH1 ARG A 97 16.838 -9.285 4.272 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.278 -10.159 6.293 1.00 0.00 N ATOM 0 H ARG A 97 13.428 -7.951 0.259 1.00 0.00 H new ATOM 0 HA ARG A 97 11.859 -10.065 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.831 -7.410 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.178 -7.656 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.275 -8.520 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.137 -9.984 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.404 -9.797 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.554 -8.155 3.313 1.00 0.00 H new ATOM 0 HE ARG A 97 13.946 -9.966 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.568 -8.922 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.824 -9.334 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.573 -10.479 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.267 -10.203 6.538 1.00 0.00 H new ATOM 824 N ASN A 98 9.412 -8.792 1.424 1.00 0.00 N ATOM 825 CA ASN A 98 8.031 -8.527 1.019 1.00 0.00 C ATOM 826 C ASN A 98 7.365 -7.447 1.883 1.00 0.00 C ATOM 827 O ASN A 98 7.974 -6.915 2.811 1.00 0.00 O ATOM 828 CB ASN A 98 7.216 -9.824 1.073 1.00 0.00 C ATOM 829 CG ASN A 98 6.145 -9.867 0.006 1.00 0.00 C ATOM 830 OD1 ASN A 98 5.572 -8.836 -0.348 1.00 0.00 O ATOM 831 ND2 ASN A 98 5.863 -11.052 -0.510 1.00 0.00 N ATOM 0 H ASN A 98 9.525 -9.046 2.406 1.00 0.00 H new ATOM 0 HA ASN A 98 8.057 -8.149 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.884 -10.677 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.753 -9.920 2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.146 -11.137 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.362 -11.881 -0.187 1.00 0.00 H new ATOM 838 N ALA A 99 6.109 -7.131 1.555 1.00 0.00 N ATOM 839 CA ALA A 99 5.335 -6.118 2.278 1.00 0.00 C ATOM 840 C ALA A 99 3.828 -6.309 2.033 1.00 0.00 C ATOM 841 O ALA A 99 3.302 -5.895 0.998 1.00 0.00 O ATOM 842 CB ALA A 99 5.788 -4.721 1.859 1.00 0.00 C ATOM 0 H ALA A 99 5.602 -7.568 0.785 1.00 0.00 H new ATOM 0 HA ALA A 99 5.513 -6.233 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.209 -3.973 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.846 -4.597 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.633 -4.594 0.788 1.00 0.00 H new ATOM 848 N TYR A 100 3.146 -6.960 2.979 1.00 0.00 N ATOM 849 CA TYR A 100 1.708 -7.228 2.847 1.00 0.00 C ATOM 850 C TYR A 100 0.848 -6.171 3.548 1.00 0.00 C ATOM 851 O TYR A 100 0.989 -5.923 4.746 1.00 0.00 O ATOM 852 CB TYR A 100 1.369 -8.617 3.408 1.00 0.00 C ATOM 853 CG TYR A 100 2.358 -9.701 3.026 1.00 0.00 C ATOM 854 CD1 TYR A 100 2.379 -10.224 1.741 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.264 -10.202 3.953 1.00 0.00 C ATOM 856 CE1 TYR A 100 3.276 -11.216 1.389 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.165 -11.193 3.605 1.00 0.00 C ATOM 858 CZ TYR A 100 4.166 -11.696 2.323 1.00 0.00 C ATOM 859 OH TYR A 100 5.062 -12.682 1.974 1.00 0.00 O ATOM 0 H TYR A 100 3.562 -7.311 3.842 1.00 0.00 H new ATOM 0 HA TYR A 100 1.478 -7.191 1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.318 -8.555 4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.378 -8.906 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.684 -9.850 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.265 -9.812 4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.278 -11.613 0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.865 -11.570 4.336 1.00 0.00 H new ATOM 0 HH TYR A 100 5.619 -12.907 2.748 1.00 0.00 H new ATOM 869 N ARG A 101 -0.065 -5.570 2.786 1.00 0.00 N ATOM 870 CA ARG A 101 -0.977 -4.554 3.307 1.00 0.00 C ATOM 871 C ARG A 101 -2.436 -4.973 3.065 1.00 0.00 C ATOM 872 O ARG A 101 -2.949 -4.873 1.948 1.00 0.00 O ATOM 873 CB ARG A 101 -0.680 -3.203 2.649 1.00 0.00 C ATOM 874 CG ARG A 101 -0.675 -2.031 3.618 1.00 0.00 C ATOM 875 CD ARG A 101 -2.033 -1.364 3.682 1.00 0.00 C ATOM 876 NE ARG A 101 -1.933 0.093 3.762 1.00 0.00 N ATOM 877 CZ ARG A 101 -1.832 0.788 4.889 1.00 0.00 C ATOM 878 NH1 ARG A 101 -1.837 0.191 6.064 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.724 2.095 4.826 1.00 0.00 N ATOM 0 H ARG A 101 -0.193 -5.773 1.795 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.828 -4.456 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.290 -3.257 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.423 -3.017 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.391 -2.379 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.076 -1.304 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.612 -1.638 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.578 -1.737 4.549 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.941 0.615 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.920 -0.824 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.758 0.744 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.719 2.563 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.646 2.642 5.683 1.00 0.00 H new ATOM 893 N GLU A 102 -3.084 -5.466 4.119 1.00 0.00 N ATOM 894 CA GLU A 102 -4.471 -5.936 4.034 1.00 0.00 C ATOM 895 C GLU A 102 -5.483 -4.799 4.176 1.00 0.00 C ATOM 896 O GLU A 102 -5.254 -3.829 4.905 1.00 0.00 O ATOM 897 CB GLU A 102 -4.728 -6.983 5.121 1.00 0.00 C ATOM 898 CG GLU A 102 -5.990 -7.807 4.896 1.00 0.00 C ATOM 899 CD GLU A 102 -5.719 -9.108 4.168 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.861 -9.883 4.638 1.00 0.00 O ATOM 901 OE2 GLU A 102 -6.365 -9.350 3.128 1.00 0.00 O ATOM 0 H GLU A 102 -2.671 -5.552 5.048 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.604 -6.373 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.871 -7.655 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.800 -6.481 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.453 -8.024 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.706 -7.218 4.323 1.00 0.00 H new ATOM 908 N CYS A 103 -6.620 -4.945 3.493 1.00 0.00 N ATOM 909 CA CYS A 103 -7.696 -3.955 3.555 1.00 0.00 C ATOM 910 C CYS A 103 -8.775 -4.389 4.563 1.00 0.00 C ATOM 911 O CYS A 103 -9.963 -4.228 4.313 1.00 0.00 O ATOM 912 CB CYS A 103 -8.303 -3.733 2.154 1.00 0.00 C ATOM 913 SG CYS A 103 -9.848 -2.758 2.136 1.00 0.00 S ATOM 0 H CYS A 103 -6.819 -5.742 2.889 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.279 -3.008 3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.565 -3.230 1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.497 -4.704 1.699 1.00 0.00 H new ATOM 918 N LEU A 104 -8.325 -4.926 5.714 1.00 0.00 N ATOM 919 CA LEU A 104 -9.206 -5.389 6.808 1.00 0.00 C ATOM 920 C LEU A 104 -10.660 -5.595 6.377 1.00 0.00 C ATOM 921 O LEU A 104 -11.421 -4.635 6.264 1.00 0.00 O ATOM 922 CB LEU A 104 -9.141 -4.409 7.982 1.00 0.00 C ATOM 923 CG LEU A 104 -8.111 -4.760 9.056 1.00 0.00 C ATOM 924 CD1 LEU A 104 -6.750 -4.214 8.677 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.531 -4.219 10.414 1.00 0.00 C ATOM 0 H LEU A 104 -7.333 -5.052 5.914 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.833 -6.367 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.917 -3.415 7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.125 -4.355 8.447 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.052 -5.846 9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.026 -4.471 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.436 -4.647 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.807 -3.130 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.780 -4.483 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.623 -3.134 10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.491 -4.651 10.697 1.00 0.00 H new ATOM 937 N GLU A 105 -11.024 -6.862 6.154 1.00 0.00 N ATOM 938 CA GLU A 105 -12.380 -7.257 5.737 1.00 0.00 C ATOM 939 C GLU A 105 -13.478 -6.312 6.251 1.00 0.00 C ATOM 940 O GLU A 105 -14.441 -6.032 5.535 1.00 0.00 O ATOM 941 CB GLU A 105 -12.672 -8.682 6.212 1.00 0.00 C ATOM 942 CG GLU A 105 -13.730 -9.391 5.384 1.00 0.00 C ATOM 943 CD GLU A 105 -14.343 -10.571 6.107 1.00 0.00 C ATOM 944 OE1 GLU A 105 -13.697 -11.637 6.152 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.470 -10.427 6.627 1.00 0.00 O ATOM 0 H GLU A 105 -10.384 -7.650 6.257 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.398 -7.200 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.750 -9.262 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.996 -8.651 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.516 -8.682 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.285 -9.734 4.450 1.00 0.00 H new ATOM 952 N ASN A 106 -13.333 -5.819 7.483 1.00 0.00 N ATOM 953 CA ASN A 106 -14.327 -4.904 8.066 1.00 0.00 C ATOM 954 C ASN A 106 -14.440 -3.585 7.275 1.00 0.00 C ATOM 955 O ASN A 106 -15.458 -2.898 7.357 1.00 0.00 O ATOM 956 CB ASN A 106 -14.001 -4.608 9.536 1.00 0.00 C ATOM 957 CG ASN A 106 -12.557 -4.205 9.750 1.00 0.00 C ATOM 958 OD1 ASN A 106 -12.081 -3.221 9.186 1.00 0.00 O ATOM 959 ND2 ASN A 106 -11.846 -4.965 10.567 1.00 0.00 N ATOM 0 H ASN A 106 -12.545 -6.033 8.095 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.291 -5.409 8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.652 -3.811 9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.219 -5.491 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.867 -4.743 10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -12.277 -5.773 11.016 1.00 0.00 H new ATOM 966 N GLY A 107 -13.399 -3.244 6.513 1.00 0.00 N ATOM 967 CA GLY A 107 -13.410 -2.018 5.720 1.00 0.00 C ATOM 968 C GLY A 107 -12.357 -1.008 6.152 1.00 0.00 C ATOM 969 O GLY A 107 -12.572 0.200 6.041 1.00 0.00 O ATOM 0 H GLY A 107 -12.545 -3.796 6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.251 -2.271 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.395 -1.557 5.791 1.00 0.00 H new ATOM 973 N THR A 108 -11.213 -1.494 6.641 1.00 0.00 N ATOM 974 CA THR A 108 -10.129 -0.622 7.083 1.00 0.00 C ATOM 975 C THR A 108 -8.793 -1.053 6.469 1.00 0.00 C ATOM 976 O THR A 108 -8.717 -2.072 5.791 1.00 0.00 O ATOM 977 CB THR A 108 -10.038 -0.638 8.612 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.029 -1.961 9.108 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.174 0.098 9.291 1.00 0.00 C ATOM 0 H THR A 108 -11.016 -2.490 6.740 1.00 0.00 H new ATOM 0 HA THR A 108 -10.344 0.392 6.747 1.00 0.00 H new ATOM 0 HB THR A 108 -9.104 -0.126 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.951 -2.268 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.046 0.047 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.172 1.141 8.975 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.122 -0.363 9.015 1.00 0.00 H new ATOM 987 N TRP A 109 -7.739 -0.274 6.700 1.00 0.00 N ATOM 988 CA TRP A 109 -6.418 -0.598 6.151 1.00 0.00 C ATOM 989 C TRP A 109 -5.477 -1.134 7.235 1.00 0.00 C ATOM 990 O TRP A 109 -5.284 -0.499 8.273 1.00 0.00 O ATOM 991 CB TRP A 109 -5.807 0.642 5.483 1.00 0.00 C ATOM 992 CG TRP A 109 -6.050 0.713 4.000 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.647 1.732 3.311 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.697 -0.276 3.025 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.685 1.435 1.968 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.109 0.209 1.769 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.074 -1.523 3.092 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.914 -0.513 0.594 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.882 -2.237 1.925 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.301 -1.729 0.691 1.00 0.00 C ATOM 0 H TRP A 109 -7.769 0.579 7.258 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.547 -1.382 5.404 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.218 1.536 5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.733 0.650 5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.032 2.638 3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.078 2.031 1.240 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.747 -1.923 4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.237 -0.124 -0.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.401 -3.203 1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.136 -2.311 -0.204 1.00 0.00 H new ATOM 1011 N ALA A 110 -4.887 -2.305 6.984 1.00 0.00 N ATOM 1012 CA ALA A 110 -3.965 -2.922 7.936 1.00 0.00 C ATOM 1013 C ALA A 110 -2.581 -2.282 7.866 1.00 0.00 C ATOM 1014 O ALA A 110 -2.012 -2.124 6.781 1.00 0.00 O ATOM 1015 CB ALA A 110 -3.861 -4.422 7.681 1.00 0.00 C ATOM 0 H ALA A 110 -5.032 -2.843 6.130 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.364 -2.757 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.171 -4.866 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.844 -4.879 7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.494 -4.594 6.669 1.00 0.00 H new ATOM 1021 N SER A 111 -2.032 -1.928 9.022 1.00 0.00 N ATOM 1022 CA SER A 111 -0.704 -1.319 9.094 1.00 0.00 C ATOM 1023 C SER A 111 0.359 -2.386 9.365 1.00 0.00 C ATOM 1024 O SER A 111 1.291 -2.171 10.142 1.00 0.00 O ATOM 1025 CB SER A 111 -0.671 -0.241 10.185 1.00 0.00 C ATOM 1026 OG SER A 111 -1.492 -0.602 11.286 1.00 0.00 O ATOM 0 H SER A 111 -2.486 -2.052 9.927 1.00 0.00 H new ATOM 0 HA SER A 111 -0.485 -0.849 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.354 -0.094 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.009 0.709 9.772 1.00 0.00 H new ATOM 0 HG SER A 111 -1.452 0.101 11.968 1.00 0.00 H new ATOM 1032 N ARG A 112 0.203 -3.544 8.721 1.00 0.00 N ATOM 1033 CA ARG A 112 1.139 -4.655 8.894 1.00 0.00 C ATOM 1034 C ARG A 112 2.395 -4.474 8.041 1.00 0.00 C ATOM 1035 O ARG A 112 3.456 -4.143 8.568 1.00 0.00 O ATOM 1036 CB ARG A 112 0.450 -5.990 8.570 1.00 0.00 C ATOM 1037 CG ARG A 112 1.221 -7.209 9.054 1.00 0.00 C ATOM 1038 CD ARG A 112 0.707 -7.707 10.400 1.00 0.00 C ATOM 1039 NE ARG A 112 0.708 -9.172 10.480 1.00 0.00 N ATOM 1040 CZ ARG A 112 0.288 -9.869 11.532 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -0.154 -9.255 12.611 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.312 -11.188 11.500 1.00 0.00 N ATOM 0 H ARG A 112 -0.563 -3.736 8.075 1.00 0.00 H new ATOM 0 HA ARG A 112 1.453 -4.666 9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.542 -5.996 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.310 -6.064 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.139 -8.007 8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.279 -6.960 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.327 -7.300 11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.305 -7.336 10.562 1.00 0.00 H new ATOM 0 HE ARG A 112 1.055 -9.692 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.176 -8.236 12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.474 -9.799 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.652 -11.672 10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.010 -11.724 12.306 1.00 0.00 H new ATOM 1056 N VAL A 113 2.268 -4.708 6.733 1.00 0.00 N ATOM 1057 CA VAL A 113 3.392 -4.590 5.790 1.00 0.00 C ATOM 1058 C VAL A 113 4.634 -5.333 6.313 1.00 0.00 C ATOM 1059 O VAL A 113 4.528 -6.193 7.194 1.00 0.00 O ATOM 1060 CB VAL A 113 3.731 -3.109 5.473 1.00 0.00 C ATOM 1061 CG1 VAL A 113 2.488 -2.375 4.994 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.339 -2.398 6.674 1.00 0.00 C ATOM 0 H VAL A 113 1.389 -4.984 6.295 1.00 0.00 H new ATOM 0 HA VAL A 113 3.078 -5.060 4.858 1.00 0.00 H new ATOM 0 HB VAL A 113 4.477 -3.104 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.740 -1.337 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.108 -2.854 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.724 -2.407 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.562 -1.364 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.633 -2.417 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.259 -2.903 6.969 1.00 0.00 H new ATOM 1072 N ASN A 114 5.807 -5.030 5.762 1.00 0.00 N ATOM 1073 CA ASN A 114 7.034 -5.695 6.191 1.00 0.00 C ATOM 1074 C ASN A 114 8.287 -4.908 5.785 1.00 0.00 C ATOM 1075 O ASN A 114 9.343 -5.492 5.541 1.00 0.00 O ATOM 1076 CB ASN A 114 7.080 -7.104 5.599 1.00 0.00 C ATOM 1077 CG ASN A 114 7.361 -8.166 6.641 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.396 -8.826 6.612 1.00 0.00 O ATOM 1079 ND2 ASN A 114 6.436 -8.338 7.573 1.00 0.00 N ATOM 0 H ASN A 114 5.933 -4.336 5.025 1.00 0.00 H new ATOM 0 HA ASN A 114 7.027 -5.749 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.129 -7.321 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.849 -7.145 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.570 -9.039 8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.589 -7.769 7.562 1.00 0.00 H new ATOM 1086 N TYR A 115 8.165 -3.580 5.721 1.00 0.00 N ATOM 1087 CA TYR A 115 9.289 -2.717 5.348 1.00 0.00 C ATOM 1088 C TYR A 115 10.406 -2.784 6.390 1.00 0.00 C ATOM 1089 O TYR A 115 11.573 -2.964 6.043 1.00 0.00 O ATOM 1090 CB TYR A 115 8.814 -1.270 5.169 1.00 0.00 C ATOM 1091 CG TYR A 115 8.505 -0.903 3.732 1.00 0.00 C ATOM 1092 CD1 TYR A 115 7.520 -1.574 3.020 1.00 0.00 C ATOM 1093 CD2 TYR A 115 9.195 0.118 3.091 1.00 0.00 C ATOM 1094 CE1 TYR A 115 7.231 -1.240 1.709 1.00 0.00 C ATOM 1095 CE2 TYR A 115 8.913 0.458 1.781 1.00 0.00 C ATOM 1096 CZ TYR A 115 7.929 -0.225 1.095 1.00 0.00 C ATOM 1097 OH TYR A 115 7.636 0.110 -0.208 1.00 0.00 O ATOM 0 H TYR A 115 7.300 -3.079 5.922 1.00 0.00 H new ATOM 0 HA TYR A 115 9.690 -3.077 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.922 -1.113 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.581 -0.596 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.970 -2.371 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.965 0.655 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.462 -1.773 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.460 1.254 1.297 1.00 0.00 H new ATOM 0 HH TYR A 115 7.472 -0.705 -0.726 1.00 0.00 H new ATOM 1107 N SER A 116 10.042 -2.649 7.666 1.00 0.00 N ATOM 1108 CA SER A 116 11.015 -2.703 8.762 1.00 0.00 C ATOM 1109 C SER A 116 11.810 -4.011 8.747 1.00 0.00 C ATOM 1110 O SER A 116 12.989 -4.028 9.094 1.00 0.00 O ATOM 1111 CB SER A 116 10.307 -2.541 10.110 1.00 0.00 C ATOM 1112 OG SER A 116 8.941 -2.921 10.019 1.00 0.00 O ATOM 0 H SER A 116 9.079 -2.501 7.968 1.00 0.00 H new ATOM 0 HA SER A 116 11.716 -1.880 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.808 -3.150 10.863 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.378 -1.504 10.439 1.00 0.00 H new ATOM 0 HG SER A 116 8.400 -2.141 9.777 1.00 0.00 H new ATOM 1118 N HIS A 117 11.163 -5.109 8.339 1.00 0.00 N ATOM 1119 CA HIS A 117 11.827 -6.416 8.277 1.00 0.00 C ATOM 1120 C HIS A 117 13.018 -6.397 7.313 1.00 0.00 C ATOM 1121 O HIS A 117 13.933 -7.218 7.432 1.00 0.00 O ATOM 1122 CB HIS A 117 10.838 -7.507 7.849 1.00 0.00 C ATOM 1123 CG HIS A 117 11.313 -8.903 8.138 1.00 0.00 C ATOM 1124 ND1 HIS A 117 12.647 -9.253 8.181 1.00 0.00 N ATOM 1125 CD2 HIS A 117 10.623 -10.036 8.403 1.00 0.00 C ATOM 1126 CE1 HIS A 117 12.757 -10.541 8.459 1.00 0.00 C ATOM 1127 NE2 HIS A 117 11.543 -11.040 8.600 1.00 0.00 N ATOM 0 H HIS A 117 10.185 -5.119 8.048 1.00 0.00 H new ATOM 0 HA HIS A 117 12.197 -6.638 9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.888 -7.344 8.358 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.647 -7.412 6.780 1.00 0.00 H new ATOM 0 HD1 HIS A 117 13.428 -8.616 8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.549 -10.134 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 117 13.682 -11.091 8.554 1.00 0.00 H new ATOM 1136 N CYS A 118 12.998 -5.470 6.353 1.00 0.00 N ATOM 1137 CA CYS A 118 14.075 -5.360 5.373 1.00 0.00 C ATOM 1138 C CYS A 118 15.392 -4.958 6.040 1.00 0.00 C ATOM 1139 O CYS A 118 15.567 -3.806 6.435 1.00 0.00 O ATOM 1140 CB CYS A 118 13.710 -4.343 4.284 1.00 0.00 C ATOM 1141 SG CYS A 118 13.423 -5.084 2.643 1.00 0.00 S ATOM 0 H CYS A 118 12.249 -4.788 6.235 1.00 0.00 H new ATOM 0 HA CYS A 118 14.207 -6.340 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.813 -3.805 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.511 -3.608 4.204 1.00 0.00 H new ATOM 1146 N GLU A 119 16.311 -5.920 6.157 1.00 0.00 N ATOM 1147 CA GLU A 119 17.622 -5.682 6.770 1.00 0.00 C ATOM 1148 C GLU A 119 18.299 -4.440 6.172 1.00 0.00 C ATOM 1149 O GLU A 119 18.013 -4.060 5.035 1.00 0.00 O ATOM 1150 CB GLU A 119 18.524 -6.906 6.569 1.00 0.00 C ATOM 1151 CG GLU A 119 18.659 -7.786 7.806 1.00 0.00 C ATOM 1152 CD GLU A 119 19.332 -9.111 7.508 1.00 0.00 C ATOM 1153 OE1 GLU A 119 18.693 -9.968 6.857 1.00 0.00 O ATOM 1154 OE2 GLU A 119 20.492 -9.293 7.926 1.00 0.00 O ATOM 0 H GLU A 119 16.171 -6.877 5.833 1.00 0.00 H new ATOM 0 HA GLU A 119 17.469 -5.510 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.127 -7.506 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.515 -6.568 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.233 -7.254 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.670 -7.971 8.225 1.00 0.00 H new ATOM 1161 N PRO A 120 19.203 -3.787 6.935 1.00 0.00 N ATOM 1162 CA PRO A 120 19.912 -2.592 6.492 1.00 0.00 C ATOM 1163 C PRO A 120 21.283 -2.890 5.868 1.00 0.00 C ATOM 1164 O PRO A 120 21.733 -4.041 5.854 1.00 0.00 O ATOM 1165 CB PRO A 120 20.076 -1.804 7.792 1.00 0.00 C ATOM 1166 CG PRO A 120 19.989 -2.810 8.901 1.00 0.00 C ATOM 1167 CD PRO A 120 19.600 -4.143 8.298 1.00 0.00 C ATOM 0 HA PRO A 120 19.371 -2.067 5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 120 21.033 -1.282 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.298 -1.047 7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.945 -2.891 9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.252 -2.498 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 120 20.432 -4.847 8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 120 18.783 -4.611 8.847 1.00 0.00 H new ATOM 1175 N ILE A 121 21.929 -1.833 5.355 1.00 0.00 N ATOM 1176 CA ILE A 121 23.248 -1.932 4.719 1.00 0.00 C ATOM 1177 C ILE A 121 23.617 -0.611 4.024 1.00 0.00 C ATOM 1178 O ILE A 121 22.716 0.230 3.823 1.00 0.00 O ATOM 1179 CB ILE A 121 23.295 -3.105 3.705 1.00 0.00 C ATOM 1180 CG1 ILE A 121 24.432 -4.062 4.058 1.00 0.00 C ATOM 1181 CG2 ILE A 121 23.444 -2.617 2.267 1.00 0.00 C ATOM 1182 CD1 ILE A 121 24.075 -5.521 3.891 1.00 0.00 C ATOM 0 H ILE A 121 21.551 -0.886 5.370 1.00 0.00 H new ATOM 0 HA ILE A 121 23.980 -2.130 5.502 1.00 0.00 H new ATOM 0 HB ILE A 121 22.343 -3.632 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 121 25.294 -3.834 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 121 24.734 -3.887 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 121 23.472 -3.473 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.598 -1.980 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 121 24.369 -2.048 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 121 24.932 -6.138 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 121 23.233 -5.766 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 121 23.802 -5.712 2.853 1.00 0.00 H new TER 1194 ILE A 121