USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 576 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 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl -125:sc= -1 (180deg=-1.94) USER MOD Set 2.1: A 86 MET CE :methyl -168:sc= -7.13! (180deg=-7.75!) USER MOD Set 2.2: A 90 TYR OH : rot 2:sc= 0.798 USER MOD Set 3.1: A 4 ASN : amide:sc= 0.194 K(o=-1.9,f=-6.4) USER MOD Set 3.2: A 68 HIS : no HD1:sc= -0.785 K(o=-1.9,f=-0.61) USER MOD Set 3.3: A 69 THR OG1 : rot 180:sc=-0.000391 USER MOD Set 3.4: A 89 ASN : amide:sc= -1.28! C(o=-1.9!,f=-4.9!) USER MOD Single : A 7 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.859 K(o=0.86,f=-6.4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0025) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.00533 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.33) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.818 K(o=0.82,f=-4.4!) USER MOD Single : A 45 ASN : amide:sc= -4.15! C(o=-4.1!,f=-8.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 18:sc= 0.637 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= 0.42 (180deg=0.0341) USER MOD Single : A 62 THR OG1 : rot -171:sc= 1.22 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 71 THR OG1 : rot 39:sc= 0.442 USER MOD Single : A 73 SER OG : rot -134:sc= 0.0817 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.67) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -90:sc= -1.13 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.3! K(o=-1.3!,f=-2.1) USER MOD Single : A 95 SER OG : rot 63:sc= 0.668 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.518 -3.799 -1.388 1.00 0.00 N ATOM 34 CA CYS A 3 10.633 -4.681 -0.655 1.00 0.00 C ATOM 35 C CYS A 3 9.836 -5.553 -1.621 1.00 0.00 C ATOM 36 O CYS A 3 9.985 -6.776 -1.623 1.00 0.00 O ATOM 37 CB CYS A 3 9.708 -3.862 0.243 1.00 0.00 C ATOM 38 SG CYS A 3 10.586 -2.871 1.500 1.00 0.00 S ATOM 0 HA CYS A 3 11.227 -5.340 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.110 -3.195 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.014 -4.536 0.745 1.00 0.00 H new ATOM 42 N ASN A 4 9.001 -4.916 -2.446 1.00 0.00 N ATOM 43 CA ASN A 4 8.195 -5.620 -3.449 1.00 0.00 C ATOM 44 C ASN A 4 7.315 -6.709 -2.837 1.00 0.00 C ATOM 45 O ASN A 4 7.586 -7.903 -2.993 1.00 0.00 O ATOM 46 CB ASN A 4 9.104 -6.226 -4.522 1.00 0.00 C ATOM 47 CG ASN A 4 9.573 -5.209 -5.545 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.828 -4.305 -5.925 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.819 -5.336 -5.979 1.00 0.00 N ATOM 0 H ASN A 4 8.864 -3.905 -2.439 1.00 0.00 H new ATOM 0 HA ASN A 4 7.530 -4.883 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.972 -6.677 -4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.570 -7.027 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.194 -4.670 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.402 -6.100 -5.638 1.00 0.00 H new ATOM 55 N PHE A 5 6.249 -6.291 -2.159 1.00 0.00 N ATOM 56 CA PHE A 5 5.314 -7.227 -1.529 1.00 0.00 C ATOM 57 C PHE A 5 4.715 -8.194 -2.556 1.00 0.00 C ATOM 58 O PHE A 5 4.487 -9.368 -2.267 1.00 0.00 O ATOM 59 CB PHE A 5 4.178 -6.466 -0.828 1.00 0.00 C ATOM 60 CG PHE A 5 3.140 -5.894 -1.758 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.423 -4.794 -2.553 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.878 -6.465 -1.838 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.470 -4.276 -3.407 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.921 -5.949 -2.690 1.00 0.00 C ATOM 65 CZ PHE A 5 1.218 -4.855 -3.476 1.00 0.00 C ATOM 0 H PHE A 5 6.009 -5.308 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 5 5.876 -7.802 -0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.686 -7.139 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.609 -5.654 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.400 -4.337 -2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.641 -7.323 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.703 -3.419 -4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.058 -6.401 -2.741 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.472 -4.452 -4.145 1.00 0.00 H new ATOM 74 N ALA A 6 4.507 -7.689 -3.765 1.00 0.00 N ATOM 75 CA ALA A 6 3.895 -8.451 -4.850 1.00 0.00 C ATOM 76 C ALA A 6 4.785 -9.564 -5.391 1.00 0.00 C ATOM 77 O ALA A 6 4.286 -10.520 -5.985 1.00 0.00 O ATOM 78 CB ALA A 6 3.515 -7.503 -5.970 1.00 0.00 C ATOM 0 H ALA A 6 4.759 -6.735 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 6 3.012 -8.940 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.057 -8.066 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.806 -6.764 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.408 -6.996 -6.337 1.00 0.00 H new ATOM 84 N ASN A 7 6.090 -9.453 -5.186 1.00 0.00 N ATOM 85 CA ASN A 7 7.027 -10.459 -5.692 1.00 0.00 C ATOM 86 C ASN A 7 6.775 -11.829 -5.072 1.00 0.00 C ATOM 87 O ASN A 7 7.071 -12.857 -5.679 1.00 0.00 O ATOM 88 CB ASN A 7 8.475 -10.031 -5.446 1.00 0.00 C ATOM 89 CG ASN A 7 8.940 -8.965 -6.419 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.143 -8.175 -6.928 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.235 -8.930 -6.687 1.00 0.00 N ATOM 0 H ASN A 7 6.526 -8.684 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 7 6.860 -10.539 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.571 -9.655 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.126 -10.901 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.603 -8.233 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.865 -9.600 -6.247 1.00 0.00 H new ATOM 97 N SER A 8 6.213 -11.843 -3.873 1.00 0.00 N ATOM 98 CA SER A 8 5.933 -13.098 -3.195 1.00 0.00 C ATOM 99 C SER A 8 4.461 -13.199 -2.807 1.00 0.00 C ATOM 100 O SER A 8 4.079 -14.069 -2.025 1.00 0.00 O ATOM 101 CB SER A 8 6.818 -13.226 -1.956 1.00 0.00 C ATOM 102 OG SER A 8 8.190 -13.150 -2.304 1.00 0.00 O ATOM 0 H SER A 8 5.944 -11.007 -3.354 1.00 0.00 H new ATOM 0 HA SER A 8 6.154 -13.916 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.574 -12.435 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.617 -14.174 -1.457 1.00 0.00 H new ATOM 0 HG SER A 8 8.738 -13.233 -1.495 1.00 0.00 H new ATOM 107 N CYS A 9 3.638 -12.319 -3.360 1.00 0.00 N ATOM 108 CA CYS A 9 2.213 -12.320 -3.058 1.00 0.00 C ATOM 109 C CYS A 9 1.387 -12.561 -4.308 1.00 0.00 C ATOM 110 O CYS A 9 1.649 -11.985 -5.362 1.00 0.00 O ATOM 111 CB CYS A 9 1.790 -11.003 -2.406 1.00 0.00 C ATOM 112 SG CYS A 9 1.267 -11.175 -0.668 1.00 0.00 S ATOM 0 H CYS A 9 3.931 -11.597 -4.018 1.00 0.00 H new ATOM 0 HA CYS A 9 2.031 -13.135 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.621 -10.300 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.971 -10.571 -2.981 1.00 0.00 H new ATOM 116 N THR A 10 0.391 -13.423 -4.181 1.00 0.00 N ATOM 117 CA THR A 10 -0.487 -13.747 -5.288 1.00 0.00 C ATOM 118 C THR A 10 -1.941 -13.685 -4.843 1.00 0.00 C ATOM 119 O THR A 10 -2.238 -13.853 -3.659 1.00 0.00 O ATOM 120 CB THR A 10 -0.175 -15.142 -5.862 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.081 -16.105 -4.800 1.00 0.00 O ATOM 122 CG2 THR A 10 1.123 -15.122 -6.650 1.00 0.00 C ATOM 0 H THR A 10 0.171 -13.913 -3.314 1.00 0.00 H new ATOM 0 HA THR A 10 -0.318 -13.010 -6.073 1.00 0.00 H new ATOM 0 HB THR A 10 -0.987 -15.423 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.116 -16.988 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.324 -16.117 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.037 -14.414 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.941 -14.820 -5.996 1.00 0.00 H new ATOM 130 N GLY A 11 -2.837 -13.435 -5.791 1.00 0.00 N ATOM 131 CA GLY A 11 -4.251 -13.350 -5.478 1.00 0.00 C ATOM 132 C GLY A 11 -4.550 -12.238 -4.497 1.00 0.00 C ATOM 133 O GLY A 11 -5.174 -12.462 -3.460 1.00 0.00 O ATOM 0 H GLY A 11 -2.608 -13.289 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.816 -13.185 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.588 -14.300 -5.063 1.00 0.00 H new ATOM 137 N VAL A 12 -4.093 -11.043 -4.823 1.00 0.00 N ATOM 138 CA VAL A 12 -4.300 -9.885 -3.970 1.00 0.00 C ATOM 139 C VAL A 12 -5.572 -9.141 -4.363 1.00 0.00 C ATOM 140 O VAL A 12 -5.863 -8.974 -5.549 1.00 0.00 O ATOM 141 CB VAL A 12 -3.090 -8.927 -4.021 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.913 -9.513 -3.253 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.691 -8.640 -5.460 1.00 0.00 C ATOM 0 H VAL A 12 -3.572 -10.847 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.407 -10.248 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.380 -7.987 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.069 -8.825 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.198 -9.668 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.628 -10.467 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.837 -7.963 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.422 -9.573 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.528 -8.178 -5.984 1.00 0.00 H new ATOM 153 N GLU A 13 -6.334 -8.718 -3.365 1.00 0.00 N ATOM 154 CA GLU A 13 -7.575 -7.995 -3.605 1.00 0.00 C ATOM 155 C GLU A 13 -7.671 -6.790 -2.673 1.00 0.00 C ATOM 156 O GLU A 13 -7.144 -6.817 -1.557 1.00 0.00 O ATOM 157 CB GLU A 13 -8.772 -8.930 -3.409 1.00 0.00 C ATOM 158 CG GLU A 13 -10.096 -8.341 -3.870 1.00 0.00 C ATOM 159 CD GLU A 13 -10.064 -7.916 -5.322 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.227 -8.788 -6.205 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.879 -6.708 -5.586 1.00 0.00 O ATOM 0 H GLU A 13 -6.114 -8.863 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.584 -7.634 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.589 -9.857 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.849 -9.189 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.887 -9.077 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.344 -7.481 -3.248 1.00 0.00 H new ATOM 166 N LEU A 14 -8.342 -5.739 -3.130 1.00 0.00 N ATOM 167 CA LEU A 14 -8.486 -4.524 -2.344 1.00 0.00 C ATOM 168 C LEU A 14 -9.939 -4.281 -1.953 1.00 0.00 C ATOM 169 O LEU A 14 -10.809 -4.109 -2.808 1.00 0.00 O ATOM 170 CB LEU A 14 -7.937 -3.332 -3.136 1.00 0.00 C ATOM 171 CG LEU A 14 -8.032 -1.959 -2.458 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.603 -2.024 -0.998 1.00 0.00 C ATOM 173 CD2 LEU A 14 -7.168 -0.972 -3.202 1.00 0.00 C ATOM 0 H LEU A 14 -8.795 -5.706 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.915 -4.641 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.890 -3.528 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.467 -3.281 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.073 -1.637 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.683 -1.033 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.248 -2.719 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.570 -2.367 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.234 0.004 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.133 -1.313 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.512 -0.893 -4.233 1.00 0.00 H new ATOM 184 N TYR A 15 -10.191 -4.276 -0.653 1.00 0.00 N ATOM 185 CA TYR A 15 -11.525 -4.035 -0.125 1.00 0.00 C ATOM 186 C TYR A 15 -11.536 -2.742 0.680 1.00 0.00 C ATOM 187 O TYR A 15 -11.094 -2.717 1.828 1.00 0.00 O ATOM 188 CB TYR A 15 -11.985 -5.197 0.763 1.00 0.00 C ATOM 189 CG TYR A 15 -12.191 -6.501 0.024 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.341 -6.723 -0.723 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.241 -7.514 0.083 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.539 -7.916 -1.390 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.432 -8.710 -0.583 1.00 0.00 C ATOM 194 CZ TYR A 15 -12.583 -8.905 -1.318 1.00 0.00 C ATOM 195 OH TYR A 15 -12.776 -10.095 -1.982 1.00 0.00 O ATOM 0 H TYR A 15 -9.482 -4.438 0.062 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.213 -3.951 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.247 -5.352 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.919 -4.918 1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.093 -5.950 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.339 -7.364 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.439 -8.073 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -10.684 -9.487 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.007 -10.683 -1.829 1.00 0.00 H new ATOM 204 N GLY A 16 -12.010 -1.665 0.066 1.00 0.00 N ATOM 205 CA GLY A 16 -12.064 -0.382 0.745 1.00 0.00 C ATOM 206 C GLY A 16 -10.700 0.267 0.867 1.00 0.00 C ATOM 207 O GLY A 16 -10.399 1.230 0.174 1.00 0.00 O ATOM 0 H GLY A 16 -12.359 -1.656 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.733 0.285 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.488 -0.518 1.740 1.00 0.00 H new ATOM 211 N TYR A 17 -9.880 -0.271 1.749 1.00 0.00 N ATOM 212 CA TYR A 17 -8.533 0.232 1.979 1.00 0.00 C ATOM 213 C TYR A 17 -7.646 -0.850 2.595 1.00 0.00 C ATOM 214 O TYR A 17 -6.625 -0.548 3.222 1.00 0.00 O ATOM 215 CB TYR A 17 -8.552 1.485 2.871 1.00 0.00 C ATOM 216 CG TYR A 17 -9.540 1.426 4.017 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.314 0.620 5.124 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.705 2.181 3.983 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.220 0.569 6.165 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.616 2.134 5.019 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.370 1.326 6.109 1.00 0.00 C ATOM 222 OH TYR A 17 -12.278 1.276 7.145 1.00 0.00 O ATOM 0 H TYR A 17 -10.127 -1.072 2.330 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.114 0.512 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.553 1.641 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.784 2.352 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.415 0.023 5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.902 2.816 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.028 -0.062 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.517 2.727 4.976 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.032 1.870 6.948 1.00 0.00 H new ATOM 231 N ILE A 18 -8.043 -2.108 2.422 1.00 0.00 N ATOM 232 CA ILE A 18 -7.273 -3.230 2.940 1.00 0.00 C ATOM 233 C ILE A 18 -6.872 -4.164 1.804 1.00 0.00 C ATOM 234 O ILE A 18 -7.691 -4.518 0.952 1.00 0.00 O ATOM 235 CB ILE A 18 -8.026 -4.028 4.029 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.362 -4.560 3.506 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.242 -3.165 5.266 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.095 -5.444 4.493 1.00 0.00 C ATOM 0 H ILE A 18 -8.894 -2.374 1.927 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.384 -2.807 3.408 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.411 -4.885 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.001 -3.717 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.185 -5.123 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.773 -3.741 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.277 -2.848 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.830 -2.287 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.032 -5.783 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.476 -6.307 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.305 -4.879 5.401 1.00 0.00 H new ATOM 249 N LEU A 19 -5.607 -4.541 1.794 1.00 0.00 N ATOM 250 CA LEU A 19 -5.064 -5.414 0.768 1.00 0.00 C ATOM 251 C LEU A 19 -4.759 -6.777 1.352 1.00 0.00 C ATOM 252 O LEU A 19 -3.933 -6.895 2.249 1.00 0.00 O ATOM 253 CB LEU A 19 -3.770 -4.816 0.209 1.00 0.00 C ATOM 254 CG LEU A 19 -3.667 -4.766 -1.311 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.759 -6.159 -1.913 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.747 -3.863 -1.865 1.00 0.00 C ATOM 0 H LEU A 19 -4.926 -4.251 2.496 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.801 -5.514 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.663 -3.802 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.929 -5.394 0.593 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.693 -4.359 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.683 -6.092 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.946 -6.776 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.714 -6.609 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.671 -3.829 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.726 -4.250 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.624 -2.858 -1.461 1.00 0.00 H new ATOM 267 N ARG A 20 -5.418 -7.802 0.865 1.00 0.00 N ATOM 268 CA ARG A 20 -5.156 -9.135 1.360 1.00 0.00 C ATOM 269 C ARG A 20 -4.723 -10.031 0.221 1.00 0.00 C ATOM 270 O ARG A 20 -5.256 -9.942 -0.887 1.00 0.00 O ATOM 271 CB ARG A 20 -6.374 -9.720 2.072 1.00 0.00 C ATOM 272 CG ARG A 20 -6.087 -11.057 2.733 1.00 0.00 C ATOM 273 CD ARG A 20 -6.777 -12.203 2.011 1.00 0.00 C ATOM 274 NE ARG A 20 -8.224 -12.013 1.950 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.002 -12.524 0.997 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.482 -13.299 0.052 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.306 -12.270 1.004 1.00 0.00 N ATOM 0 H ARG A 20 -6.130 -7.742 0.137 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.351 -9.073 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.721 -9.014 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.185 -9.842 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.011 -11.232 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.419 -11.028 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.379 -12.288 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.555 -13.140 2.521 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.665 -11.455 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.483 -13.505 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.082 -13.688 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.708 -11.686 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.905 -12.659 0.276 1.00 0.00 H new ATOM 288 N GLY A 21 -3.745 -10.870 0.492 1.00 0.00 N ATOM 289 CA GLY A 21 -3.249 -11.769 -0.516 1.00 0.00 C ATOM 290 C GLY A 21 -2.470 -12.916 0.074 1.00 0.00 C ATOM 291 O GLY A 21 -2.296 -13.000 1.293 1.00 0.00 O ATOM 0 H GLY A 21 -3.283 -10.945 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.086 -12.160 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.613 -11.219 -1.209 1.00 0.00 H new ATOM 295 N ASP A 22 -1.994 -13.791 -0.789 1.00 0.00 N ATOM 296 CA ASP A 22 -1.227 -14.946 -0.366 1.00 0.00 C ATOM 297 C ASP A 22 0.256 -14.695 -0.577 1.00 0.00 C ATOM 298 O ASP A 22 0.743 -14.717 -1.709 1.00 0.00 O ATOM 299 CB ASP A 22 -1.664 -16.191 -1.141 1.00 0.00 C ATOM 300 CG ASP A 22 -3.066 -16.648 -0.785 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.215 -17.428 0.176 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.025 -16.237 -1.473 1.00 0.00 O ATOM 0 H ASP A 22 -2.127 -13.723 -1.798 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.410 -15.114 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.616 -15.983 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.962 -17.001 -0.942 1.00 0.00 H new ATOM 306 N CYS A 23 0.972 -14.463 0.511 1.00 0.00 N ATOM 307 CA CYS A 23 2.401 -14.209 0.439 1.00 0.00 C ATOM 308 C CYS A 23 3.170 -15.426 0.932 1.00 0.00 C ATOM 309 O CYS A 23 2.891 -15.958 2.002 1.00 0.00 O ATOM 310 CB CYS A 23 2.770 -12.983 1.282 1.00 0.00 C ATOM 311 SG CYS A 23 3.011 -11.444 0.331 1.00 0.00 S ATOM 0 H CYS A 23 0.586 -14.445 1.455 1.00 0.00 H new ATOM 0 HA CYS A 23 2.668 -14.012 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.985 -12.818 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.685 -13.200 1.833 1.00 0.00 H new ATOM 315 N ILE A 24 4.164 -15.839 0.163 1.00 0.00 N ATOM 316 CA ILE A 24 4.963 -17.011 0.496 1.00 0.00 C ATOM 317 C ILE A 24 5.841 -16.766 1.721 1.00 0.00 C ATOM 318 O ILE A 24 6.430 -15.693 1.877 1.00 0.00 O ATOM 319 CB ILE A 24 5.840 -17.439 -0.703 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.960 -17.663 -1.939 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.631 -18.694 -0.376 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.719 -18.139 -3.161 1.00 0.00 C ATOM 0 H ILE A 24 4.440 -15.377 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 24 4.268 -17.816 0.732 1.00 0.00 H new ATOM 0 HB ILE A 24 6.552 -16.641 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.190 -18.395 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.449 -16.731 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.240 -18.975 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.278 -18.504 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.944 -19.506 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.025 -18.273 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.471 -17.399 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.207 -19.088 -2.939 1.00 0.00 H new ATOM 333 N ASN A 25 5.908 -17.769 2.593 1.00 0.00 N ATOM 334 CA ASN A 25 6.709 -17.685 3.808 1.00 0.00 C ATOM 335 C ASN A 25 7.941 -18.580 3.693 1.00 0.00 C ATOM 336 O ASN A 25 8.208 -19.116 2.619 1.00 0.00 O ATOM 337 CB ASN A 25 5.870 -18.076 5.036 1.00 0.00 C ATOM 338 CG ASN A 25 5.655 -19.570 5.175 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.387 -20.248 5.891 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.663 -20.094 4.484 1.00 0.00 N ATOM 0 H ASN A 25 5.413 -18.654 2.478 1.00 0.00 H new ATOM 0 HA ASN A 25 7.040 -16.654 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.361 -17.703 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.900 -17.582 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.481 -21.096 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.077 -19.497 3.900 1.00 0.00 H new ATOM 346 N GLU A 26 8.663 -18.763 4.796 1.00 0.00 N ATOM 347 CA GLU A 26 9.873 -19.592 4.813 1.00 0.00 C ATOM 348 C GLU A 26 9.607 -21.021 4.328 1.00 0.00 C ATOM 349 O GLU A 26 10.498 -21.679 3.788 1.00 0.00 O ATOM 350 CB GLU A 26 10.460 -19.634 6.227 1.00 0.00 C ATOM 351 CG GLU A 26 9.445 -20.018 7.294 1.00 0.00 C ATOM 352 CD GLU A 26 10.085 -20.380 8.615 1.00 0.00 C ATOM 353 OE1 GLU A 26 10.696 -19.497 9.251 1.00 0.00 O ATOM 354 OE2 GLU A 26 9.966 -21.550 9.032 1.00 0.00 O ATOM 0 H GLU A 26 8.431 -18.346 5.698 1.00 0.00 H new ATOM 0 HA GLU A 26 10.584 -19.135 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.285 -20.346 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.877 -18.656 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.755 -19.188 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.855 -20.863 6.939 1.00 0.00 H new ATOM 359 N ASP A 27 8.383 -21.499 4.523 1.00 0.00 N ATOM 360 CA ASP A 27 8.014 -22.850 4.113 1.00 0.00 C ATOM 361 C ASP A 27 8.003 -22.991 2.597 1.00 0.00 C ATOM 362 O ASP A 27 8.224 -24.075 2.062 1.00 0.00 O ATOM 363 CB ASP A 27 6.643 -23.226 4.671 1.00 0.00 C ATOM 364 CG ASP A 27 6.294 -24.676 4.404 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.810 -25.558 5.121 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.507 -24.943 3.474 1.00 0.00 O ATOM 0 H ASP A 27 7.629 -20.971 4.963 1.00 0.00 H new ATOM 0 HA ASP A 27 8.767 -23.528 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.627 -23.042 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.883 -22.583 4.226 1.00 0.00 H new ATOM 370 N GLY A 28 7.771 -21.888 1.904 1.00 0.00 N ATOM 371 CA GLY A 28 7.718 -21.930 0.458 1.00 0.00 C ATOM 372 C GLY A 28 6.289 -21.965 -0.035 1.00 0.00 C ATOM 373 O GLY A 28 6.031 -21.948 -1.238 1.00 0.00 O ATOM 0 H GLY A 28 7.619 -20.967 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.226 -21.058 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.252 -22.809 0.097 1.00 0.00 H new ATOM 377 N HIS A 29 5.358 -22.012 0.906 1.00 0.00 N ATOM 378 CA HIS A 29 3.939 -22.040 0.585 1.00 0.00 C ATOM 379 C HIS A 29 3.308 -20.681 0.860 1.00 0.00 C ATOM 380 O HIS A 29 3.694 -19.981 1.800 1.00 0.00 O ATOM 381 CB HIS A 29 3.223 -23.124 1.397 1.00 0.00 C ATOM 382 CG HIS A 29 3.446 -24.513 0.879 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.417 -25.362 0.536 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.588 -25.203 0.655 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.916 -26.513 0.125 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.230 -26.439 0.186 1.00 0.00 N ATOM 0 H HIS A 29 5.562 -22.032 1.905 1.00 0.00 H new ATOM 0 HA HIS A 29 3.832 -22.272 -0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.562 -23.073 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.153 -22.915 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.594 -24.846 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.345 -27.368 -0.205 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.877 -27.183 -0.074 1.00 0.00 H new ATOM 394 N PRO A 30 2.354 -20.279 0.014 1.00 0.00 N ATOM 395 CA PRO A 30 1.655 -19.000 0.152 1.00 0.00 C ATOM 396 C PRO A 30 0.810 -18.914 1.426 1.00 0.00 C ATOM 397 O PRO A 30 -0.083 -19.728 1.659 1.00 0.00 O ATOM 398 CB PRO A 30 0.762 -18.940 -1.092 1.00 0.00 C ATOM 399 CG PRO A 30 0.623 -20.349 -1.546 1.00 0.00 C ATOM 400 CD PRO A 30 1.900 -21.033 -1.166 1.00 0.00 C ATOM 0 HA PRO A 30 2.356 -18.169 0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.210 -18.505 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.210 -18.320 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.233 -20.829 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.460 -20.398 -2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.738 -22.085 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.632 -20.995 -1.973 1.00 0.00 H new ATOM 405 N HIS A 31 1.112 -17.916 2.241 1.00 0.00 N ATOM 406 CA HIS A 31 0.407 -17.673 3.492 1.00 0.00 C ATOM 407 C HIS A 31 -0.459 -16.425 3.345 1.00 0.00 C ATOM 408 O HIS A 31 0.013 -15.383 2.890 1.00 0.00 O ATOM 409 CB HIS A 31 1.415 -17.505 4.643 1.00 0.00 C ATOM 410 CG HIS A 31 0.794 -17.233 5.985 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.661 -18.192 6.966 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.289 -16.093 6.514 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.098 -17.655 8.033 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.138 -16.381 7.784 1.00 0.00 N ATOM 0 H HIS A 31 1.858 -17.246 2.053 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.233 -18.524 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.020 -18.409 4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.093 -16.687 4.398 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.233 -15.132 6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.131 -18.171 8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.568 -15.719 8.430 1.00 0.00 H new ATOM 422 N ALA A 32 -1.718 -16.534 3.730 1.00 0.00 N ATOM 423 CA ALA A 32 -2.646 -15.421 3.621 1.00 0.00 C ATOM 424 C ALA A 32 -2.328 -14.321 4.627 1.00 0.00 C ATOM 425 O ALA A 32 -2.335 -14.546 5.838 1.00 0.00 O ATOM 426 CB ALA A 32 -4.072 -15.908 3.806 1.00 0.00 C ATOM 0 H ALA A 32 -2.123 -17.384 4.122 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.539 -14.996 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.758 -15.065 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.307 -16.645 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.176 -16.364 4.791 1.00 0.00 H new ATOM 432 N THR A 33 -2.038 -13.136 4.118 1.00 0.00 N ATOM 433 CA THR A 33 -1.735 -11.991 4.957 1.00 0.00 C ATOM 434 C THR A 33 -2.476 -10.774 4.424 1.00 0.00 C ATOM 435 O THR A 33 -2.893 -10.753 3.263 1.00 0.00 O ATOM 436 CB THR A 33 -0.214 -11.713 5.028 1.00 0.00 C ATOM 437 OG1 THR A 33 0.057 -10.655 5.957 1.00 0.00 O ATOM 438 CG2 THR A 33 0.343 -11.337 3.664 1.00 0.00 C ATOM 0 H THR A 33 -2.006 -12.942 3.117 1.00 0.00 H new ATOM 0 HA THR A 33 -2.065 -12.210 5.972 1.00 0.00 H new ATOM 0 HB THR A 33 0.272 -12.629 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.354 -11.036 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.413 -11.148 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.172 -12.154 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.157 -10.439 3.302 1.00 0.00 H new ATOM 446 N SER A 34 -2.649 -9.768 5.262 1.00 0.00 N ATOM 447 CA SER A 34 -3.366 -8.578 4.862 1.00 0.00 C ATOM 448 C SER A 34 -2.664 -7.319 5.335 1.00 0.00 C ATOM 449 O SER A 34 -1.943 -7.328 6.331 1.00 0.00 O ATOM 450 CB SER A 34 -4.788 -8.625 5.402 1.00 0.00 C ATOM 451 OG SER A 34 -4.807 -8.968 6.780 1.00 0.00 O ATOM 0 H SER A 34 -2.302 -9.754 6.221 1.00 0.00 H new ATOM 0 HA SER A 34 -3.394 -8.550 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.265 -7.655 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.370 -9.352 4.836 1.00 0.00 H new ATOM 0 HG SER A 34 -5.733 -8.989 7.099 1.00 0.00 H new ATOM 456 N ILE A 35 -2.873 -6.240 4.602 1.00 0.00 N ATOM 457 CA ILE A 35 -2.269 -4.963 4.923 1.00 0.00 C ATOM 458 C ILE A 35 -3.320 -3.862 4.850 1.00 0.00 C ATOM 459 O ILE A 35 -4.227 -3.919 4.027 1.00 0.00 O ATOM 460 CB ILE A 35 -1.110 -4.603 3.957 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.170 -5.794 3.743 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.324 -3.411 4.481 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.506 -6.625 2.518 1.00 0.00 C ATOM 0 H ILE A 35 -3.464 -6.226 3.771 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.863 -5.046 5.931 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.554 -4.341 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.852 -5.427 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.202 -6.434 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.484 -3.175 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.986 -2.550 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.094 -3.652 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.202 -7.449 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.516 -7.023 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.445 -6.000 1.627 1.00 0.00 H new ATOM 474 N ASN A 36 -3.200 -2.867 5.707 1.00 0.00 N ATOM 475 CA ASN A 36 -4.147 -1.763 5.718 1.00 0.00 C ATOM 476 C ASN A 36 -3.499 -0.535 5.082 1.00 0.00 C ATOM 477 O ASN A 36 -2.816 0.231 5.759 1.00 0.00 O ATOM 478 CB ASN A 36 -4.583 -1.458 7.155 1.00 0.00 C ATOM 479 CG ASN A 36 -5.985 -0.874 7.253 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.664 -1.045 8.263 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.441 -0.204 6.206 1.00 0.00 N ATOM 0 H ASN A 36 -2.459 -2.798 6.404 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.032 -2.036 5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.538 -2.375 7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.875 -0.759 7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.382 0.189 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.851 -0.080 5.383 1.00 0.00 H new ATOM 487 N LEU A 37 -3.736 -0.350 3.782 1.00 0.00 N ATOM 488 CA LEU A 37 -3.148 0.763 3.027 1.00 0.00 C ATOM 489 C LEU A 37 -3.502 2.109 3.646 1.00 0.00 C ATOM 490 O LEU A 37 -2.739 3.065 3.547 1.00 0.00 O ATOM 491 CB LEU A 37 -3.617 0.772 1.560 1.00 0.00 C ATOM 492 CG LEU A 37 -3.370 -0.496 0.728 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.023 -1.124 1.047 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.496 -1.494 0.928 1.00 0.00 C ATOM 0 H LEU A 37 -4.335 -0.960 3.225 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.069 0.612 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.687 0.977 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.128 1.606 1.056 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.350 -0.204 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.885 -2.018 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.228 -0.411 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.988 -1.394 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.303 -2.385 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.556 -1.769 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.439 -1.046 0.616 1.00 0.00 H new ATOM 505 N ASN A 38 -4.667 2.175 4.276 1.00 0.00 N ATOM 506 CA ASN A 38 -5.144 3.406 4.900 1.00 0.00 C ATOM 507 C ASN A 38 -4.136 3.984 5.894 1.00 0.00 C ATOM 508 O ASN A 38 -4.072 5.195 6.077 1.00 0.00 O ATOM 509 CB ASN A 38 -6.483 3.153 5.604 1.00 0.00 C ATOM 510 CG ASN A 38 -7.075 4.409 6.220 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.762 4.766 7.351 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.955 5.073 5.489 1.00 0.00 N ATOM 0 H ASN A 38 -5.305 1.385 4.370 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.276 4.140 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.191 2.738 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.342 2.404 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.398 5.912 5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.190 4.746 4.552 1.00 0.00 H new ATOM 518 N TYR A 39 -3.330 3.132 6.513 1.00 0.00 N ATOM 519 CA TYR A 39 -2.356 3.602 7.493 1.00 0.00 C ATOM 520 C TYR A 39 -0.945 3.623 6.918 1.00 0.00 C ATOM 521 O TYR A 39 0.022 3.799 7.659 1.00 0.00 O ATOM 522 CB TYR A 39 -2.385 2.718 8.745 1.00 0.00 C ATOM 523 CG TYR A 39 -3.757 2.589 9.362 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.528 3.712 9.627 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.284 1.343 9.676 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.786 3.598 10.180 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.542 1.221 10.233 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.289 2.351 10.481 1.00 0.00 C ATOM 529 OH TYR A 39 -7.551 2.234 11.021 1.00 0.00 O ATOM 0 H TYR A 39 -3.329 2.124 6.358 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.632 4.622 7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.017 1.725 8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.700 3.129 9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.136 4.692 9.396 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.701 0.455 9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.374 4.482 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.938 0.245 10.473 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.755 1.288 11.173 1.00 0.00 H new ATOM 538 N TYR A 40 -0.824 3.446 5.607 1.00 0.00 N ATOM 539 CA TYR A 40 0.492 3.438 4.973 1.00 0.00 C ATOM 540 C TYR A 40 0.571 4.369 3.767 1.00 0.00 C ATOM 541 O TYR A 40 1.659 4.801 3.400 1.00 0.00 O ATOM 542 CB TYR A 40 0.893 2.013 4.577 1.00 0.00 C ATOM 543 CG TYR A 40 1.015 1.077 5.759 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.927 1.327 6.778 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.213 -0.049 5.862 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.034 0.480 7.867 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.310 -0.901 6.946 1.00 0.00 C ATOM 548 CZ TYR A 40 1.222 -0.632 7.947 1.00 0.00 C ATOM 549 OH TYR A 40 1.322 -1.478 9.031 1.00 0.00 O ATOM 0 H TYR A 40 -1.608 3.308 4.969 1.00 0.00 H new ATOM 0 HA TYR A 40 1.198 3.816 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.154 1.615 3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.845 2.045 4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.563 2.198 6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.501 -0.265 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.749 0.688 8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.324 -1.773 7.010 1.00 0.00 H new ATOM 0 HH TYR A 40 0.680 -2.212 8.934 1.00 0.00 H new ATOM 558 N ILE A 41 -0.567 4.683 3.162 1.00 0.00 N ATOM 559 CA ILE A 41 -0.599 5.568 2.002 1.00 0.00 C ATOM 560 C ILE A 41 -1.285 6.888 2.345 1.00 0.00 C ATOM 561 O ILE A 41 -2.269 6.910 3.092 1.00 0.00 O ATOM 562 CB ILE A 41 -1.337 4.915 0.812 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.445 3.907 0.085 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.837 5.967 -0.163 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.318 2.580 0.791 1.00 0.00 C ATOM 0 H ILE A 41 -1.481 4.338 3.455 1.00 0.00 H new ATOM 0 HA ILE A 41 0.436 5.756 1.717 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.195 4.380 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.845 3.738 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.548 4.338 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.353 5.480 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.526 6.639 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.992 6.538 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.330 1.921 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.111 2.734 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.303 2.125 0.890 1.00 0.00 H new ATOM 576 N GLY A 42 -0.760 7.983 1.807 1.00 0.00 N ATOM 577 CA GLY A 42 -1.341 9.284 2.068 1.00 0.00 C ATOM 578 C GLY A 42 -1.931 9.928 0.826 1.00 0.00 C ATOM 579 O GLY A 42 -1.971 9.317 -0.242 1.00 0.00 O ATOM 0 H GLY A 42 0.056 7.992 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.120 9.183 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.577 9.941 2.483 1.00 0.00 H new ATOM 583 N ASN A 43 -2.365 11.175 0.967 1.00 0.00 N ATOM 584 CA ASN A 43 -2.983 11.912 -0.132 1.00 0.00 C ATOM 585 C ASN A 43 -2.324 13.276 -0.319 1.00 0.00 C ATOM 586 O ASN A 43 -2.470 14.169 0.519 1.00 0.00 O ATOM 587 CB ASN A 43 -4.480 12.087 0.142 1.00 0.00 C ATOM 588 CG ASN A 43 -5.156 13.048 -0.822 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.778 13.161 -1.987 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.161 13.759 -0.332 1.00 0.00 N ATOM 0 H ASN A 43 -2.300 11.701 1.838 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.844 11.341 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.970 11.115 0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.617 12.449 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.650 14.428 -0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.446 13.637 0.640 1.00 0.00 H new ATOM 596 N ASP A 44 -1.585 13.417 -1.411 1.00 0.00 N ATOM 597 CA ASP A 44 -0.896 14.661 -1.735 1.00 0.00 C ATOM 598 C ASP A 44 -1.497 15.300 -2.985 1.00 0.00 C ATOM 599 O ASP A 44 -1.345 14.769 -4.083 1.00 0.00 O ATOM 600 CB ASP A 44 0.601 14.405 -1.943 1.00 0.00 C ATOM 601 CG ASP A 44 1.336 15.617 -2.490 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.406 16.648 -1.788 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.851 15.539 -3.629 1.00 0.00 O ATOM 0 H ASP A 44 -1.446 12.675 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.022 15.348 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.050 14.112 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.730 13.568 -2.629 1.00 0.00 H new ATOM 607 N ASN A 45 -2.196 16.419 -2.807 1.00 0.00 N ATOM 608 CA ASN A 45 -2.812 17.152 -3.920 1.00 0.00 C ATOM 609 C ASN A 45 -3.750 16.244 -4.721 1.00 0.00 C ATOM 610 O ASN A 45 -3.716 16.202 -5.953 1.00 0.00 O ATOM 611 CB ASN A 45 -1.718 17.769 -4.811 1.00 0.00 C ATOM 612 CG ASN A 45 -2.232 18.705 -5.894 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.443 18.302 -7.035 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.427 19.967 -5.549 1.00 0.00 N ATOM 0 H ASN A 45 -2.353 16.845 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.419 17.963 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.019 18.317 -4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.156 16.963 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.763 20.638 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.242 20.269 -4.592 1.00 0.00 H new ATOM 620 N GLY A 46 -4.571 15.488 -4.002 1.00 0.00 N ATOM 621 CA GLY A 46 -5.524 14.602 -4.644 1.00 0.00 C ATOM 622 C GLY A 46 -4.859 13.430 -5.335 1.00 0.00 C ATOM 623 O GLY A 46 -5.460 12.779 -6.189 1.00 0.00 O ATOM 0 H GLY A 46 -4.594 15.473 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.226 14.228 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.105 15.167 -5.373 1.00 0.00 H new ATOM 627 N ARG A 47 -3.621 13.166 -4.963 1.00 0.00 N ATOM 628 CA ARG A 47 -2.856 12.082 -5.545 1.00 0.00 C ATOM 629 C ARG A 47 -2.363 11.140 -4.459 1.00 0.00 C ATOM 630 O ARG A 47 -2.072 11.563 -3.341 1.00 0.00 O ATOM 631 CB ARG A 47 -1.668 12.642 -6.329 1.00 0.00 C ATOM 632 CG ARG A 47 -1.772 12.435 -7.829 1.00 0.00 C ATOM 633 CD ARG A 47 -3.032 13.063 -8.409 1.00 0.00 C ATOM 634 NE ARG A 47 -3.053 14.518 -8.258 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.210 15.362 -9.276 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.321 14.892 -10.513 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.244 16.670 -9.061 1.00 0.00 N ATOM 0 H ARG A 47 -3.119 13.696 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.501 11.525 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.580 13.709 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.753 12.172 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.896 12.865 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.766 11.367 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.107 12.810 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.906 12.637 -7.917 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.941 14.907 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.286 13.887 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.441 15.536 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.150 17.034 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.364 17.313 -9.844 1.00 0.00 H new ATOM 648 N LEU A 48 -2.265 9.866 -4.797 1.00 0.00 N ATOM 649 CA LEU A 48 -1.804 8.857 -3.855 1.00 0.00 C ATOM 650 C LEU A 48 -0.312 9.019 -3.600 1.00 0.00 C ATOM 651 O LEU A 48 0.487 9.116 -4.535 1.00 0.00 O ATOM 652 CB LEU A 48 -2.120 7.453 -4.392 1.00 0.00 C ATOM 653 CG LEU A 48 -3.491 6.889 -4.009 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.600 7.862 -4.350 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.724 5.563 -4.710 1.00 0.00 C ATOM 0 H LEU A 48 -2.499 9.503 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.327 8.988 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.047 7.475 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.352 6.766 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.502 6.731 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.561 7.433 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.445 8.795 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.594 8.060 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.702 5.171 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.687 5.711 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.951 4.854 -4.414 1.00 0.00 H new ATOM 666 N GLU A 49 0.045 9.092 -2.329 1.00 0.00 N ATOM 667 CA GLU A 49 1.429 9.254 -1.923 1.00 0.00 C ATOM 668 C GLU A 49 1.903 8.019 -1.174 1.00 0.00 C ATOM 669 O GLU A 49 1.214 7.556 -0.263 1.00 0.00 O ATOM 670 CB GLU A 49 1.565 10.501 -1.046 1.00 0.00 C ATOM 671 CG GLU A 49 2.922 10.662 -0.383 1.00 0.00 C ATOM 672 CD GLU A 49 2.999 11.909 0.476 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.099 12.115 1.316 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.966 12.686 0.318 1.00 0.00 O ATOM 0 H GLU A 49 -0.614 9.041 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 49 2.052 9.377 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.367 11.382 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.798 10.470 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.129 9.786 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.696 10.703 -1.150 1.00 0.00 H new ATOM 679 N TYR A 50 3.057 7.483 -1.597 1.00 0.00 N ATOM 680 CA TYR A 50 3.653 6.290 -0.999 1.00 0.00 C ATOM 681 C TYR A 50 3.472 6.229 0.413 1.00 0.00 C ATOM 682 O TYR A 50 2.712 5.370 0.860 1.00 0.00 O ATOM 683 CB TYR A 50 5.126 6.074 -1.359 1.00 0.00 C ATOM 684 CG TYR A 50 5.727 7.074 -2.338 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.268 7.163 -3.641 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.764 7.920 -1.959 1.00 0.00 C ATOM 687 CE1 TYR A 50 5.812 8.061 -4.538 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.314 8.822 -2.850 1.00 0.00 C ATOM 689 CZ TYR A 50 6.833 8.888 -4.136 1.00 0.00 C ATOM 690 OH TYR A 50 7.374 9.786 -5.024 1.00 0.00 O ATOM 0 H TYR A 50 3.602 7.870 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 50 3.098 5.468 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.712 6.098 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.234 5.074 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.466 6.515 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.146 7.871 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.437 8.113 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.118 9.472 -2.537 1.00 0.00 H new ATOM 0 HH TYR A 50 8.085 10.296 -4.582 1.00 0.00 H new ATOM 699 N PRO A 51 4.087 7.022 1.205 1.00 0.00 N ATOM 700 CA PRO A 51 3.814 6.803 2.500 1.00 0.00 C ATOM 701 C PRO A 51 3.002 7.897 3.124 1.00 0.00 C ATOM 702 O PRO A 51 3.357 9.079 3.120 1.00 0.00 O ATOM 703 CB PRO A 51 5.172 6.678 3.032 1.00 0.00 C ATOM 704 CG PRO A 51 5.955 7.731 2.291 1.00 0.00 C ATOM 705 CD PRO A 51 5.164 7.996 1.032 1.00 0.00 C ATOM 0 HA PRO A 51 3.182 5.937 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.196 6.847 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.579 5.682 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.061 8.637 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.961 7.383 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.796 9.021 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.746 7.819 0.128 1.00 0.00 H new ATOM 710 N GLY A 52 1.918 7.481 3.664 1.00 0.00 N ATOM 711 CA GLY A 52 1.018 8.403 4.260 1.00 0.00 C ATOM 712 C GLY A 52 0.089 7.765 5.254 1.00 0.00 C ATOM 713 O GLY A 52 0.346 6.664 5.737 1.00 0.00 O ATOM 0 H GLY A 52 1.628 6.504 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.588 9.188 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.429 8.883 3.478 1.00 0.00 H new ATOM 717 N GLU A 53 -1.001 8.458 5.545 1.00 0.00 N ATOM 718 CA GLU A 53 -1.999 7.979 6.489 1.00 0.00 C ATOM 719 C GLU A 53 -3.361 8.582 6.171 1.00 0.00 C ATOM 720 O GLU A 53 -3.453 9.700 5.655 1.00 0.00 O ATOM 721 CB GLU A 53 -1.615 8.332 7.934 1.00 0.00 C ATOM 722 CG GLU A 53 -0.389 7.598 8.451 1.00 0.00 C ATOM 723 CD GLU A 53 -0.003 8.022 9.849 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.548 9.133 10.006 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.246 7.246 10.796 1.00 0.00 O ATOM 0 H GLU A 53 -1.219 9.366 5.135 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.046 6.894 6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.436 9.405 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.459 8.110 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.582 6.525 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.448 7.778 7.777 1.00 0.00 H new ATOM 730 N SER A 54 -4.402 7.826 6.491 1.00 0.00 N ATOM 731 CA SER A 54 -5.792 8.216 6.298 1.00 0.00 C ATOM 732 C SER A 54 -6.091 8.784 4.909 1.00 0.00 C ATOM 733 O SER A 54 -6.771 9.805 4.787 1.00 0.00 O ATOM 734 CB SER A 54 -6.211 9.206 7.386 1.00 0.00 C ATOM 735 OG SER A 54 -5.361 10.344 7.429 1.00 0.00 O ATOM 0 H SER A 54 -4.300 6.899 6.903 1.00 0.00 H new ATOM 0 HA SER A 54 -6.382 7.303 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.237 9.527 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.197 8.707 8.355 1.00 0.00 H new ATOM 0 HG SER A 54 -4.861 10.411 6.589 1.00 0.00 H new ATOM 740 N PHE A 55 -5.589 8.139 3.859 1.00 0.00 N ATOM 741 CA PHE A 55 -5.869 8.609 2.507 1.00 0.00 C ATOM 742 C PHE A 55 -7.342 8.355 2.188 1.00 0.00 C ATOM 743 O PHE A 55 -8.030 9.217 1.652 1.00 0.00 O ATOM 744 CB PHE A 55 -4.959 7.933 1.458 1.00 0.00 C ATOM 745 CG PHE A 55 -5.338 6.518 1.102 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.982 5.459 1.917 1.00 0.00 C ATOM 747 CD2 PHE A 55 -6.061 6.254 -0.055 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.338 4.165 1.588 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.420 4.962 -0.387 1.00 0.00 C ATOM 750 CZ PHE A 55 -6.057 3.916 0.437 1.00 0.00 C ATOM 0 H PHE A 55 -5.000 7.308 3.915 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.658 9.677 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.968 8.535 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.935 7.936 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.420 5.645 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.346 7.070 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.053 3.347 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.983 4.771 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.335 2.904 0.181 1.00 0.00 H new ATOM 759 N GLY A 56 -7.830 7.186 2.608 1.00 0.00 N ATOM 760 CA GLY A 56 -9.207 6.787 2.349 1.00 0.00 C ATOM 761 C GLY A 56 -10.232 7.799 2.818 1.00 0.00 C ATOM 762 O GLY A 56 -11.319 7.887 2.250 1.00 0.00 O ATOM 0 H GLY A 56 -7.286 6.499 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.334 6.624 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.399 5.834 2.842 1.00 0.00 H new ATOM 766 N SER A 57 -9.873 8.580 3.831 1.00 0.00 N ATOM 767 CA SER A 57 -10.761 9.592 4.383 1.00 0.00 C ATOM 768 C SER A 57 -11.214 10.581 3.306 1.00 0.00 C ATOM 769 O SER A 57 -12.279 11.183 3.421 1.00 0.00 O ATOM 770 CB SER A 57 -10.056 10.337 5.520 1.00 0.00 C ATOM 771 OG SER A 57 -10.936 11.236 6.174 1.00 0.00 O ATOM 0 H SER A 57 -8.963 8.529 4.289 1.00 0.00 H new ATOM 0 HA SER A 57 -11.648 9.092 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.666 9.618 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.202 10.886 5.123 1.00 0.00 H new ATOM 0 HG SER A 57 -10.458 11.695 6.896 1.00 0.00 H new ATOM 776 N SER A 58 -10.408 10.744 2.263 1.00 0.00 N ATOM 777 CA SER A 58 -10.742 11.654 1.178 1.00 0.00 C ATOM 778 C SER A 58 -10.427 11.018 -0.178 1.00 0.00 C ATOM 779 O SER A 58 -10.141 11.717 -1.153 1.00 0.00 O ATOM 780 CB SER A 58 -9.970 12.968 1.340 1.00 0.00 C ATOM 781 OG SER A 58 -10.208 13.556 2.612 1.00 0.00 O ATOM 0 H SER A 58 -9.519 10.257 2.147 1.00 0.00 H new ATOM 0 HA SER A 58 -11.811 11.863 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.903 12.782 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.265 13.664 0.555 1.00 0.00 H new ATOM 0 HG SER A 58 -9.701 14.391 2.686 1.00 0.00 H new ATOM 786 N CYS A 59 -10.483 9.689 -0.232 1.00 0.00 N ATOM 787 CA CYS A 59 -10.198 8.959 -1.459 1.00 0.00 C ATOM 788 C CYS A 59 -11.276 7.920 -1.750 1.00 0.00 C ATOM 789 O CYS A 59 -11.848 7.326 -0.831 1.00 0.00 O ATOM 790 CB CYS A 59 -8.838 8.273 -1.352 1.00 0.00 C ATOM 791 SG CYS A 59 -7.442 9.414 -1.105 1.00 0.00 S ATOM 0 H CYS A 59 -10.724 9.097 0.563 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.184 9.675 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.865 7.566 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.663 7.695 -2.259 1.00 0.00 H new ATOM 795 N VAL A 60 -11.548 7.711 -3.032 1.00 0.00 N ATOM 796 CA VAL A 60 -12.546 6.743 -3.472 1.00 0.00 C ATOM 797 C VAL A 60 -12.028 5.930 -4.658 1.00 0.00 C ATOM 798 O VAL A 60 -10.949 6.212 -5.180 1.00 0.00 O ATOM 799 CB VAL A 60 -13.872 7.425 -3.873 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.567 8.024 -2.661 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.631 8.492 -4.931 1.00 0.00 C ATOM 0 H VAL A 60 -11.085 8.206 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.736 6.082 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.526 6.662 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.498 8.498 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.784 7.236 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.918 8.768 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.579 8.959 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.952 9.248 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.190 8.034 -5.816 1.00 0.00 H new ATOM 811 N LYS A 61 -12.814 4.939 -5.079 1.00 0.00 N ATOM 812 CA LYS A 61 -12.469 4.057 -6.201 1.00 0.00 C ATOM 813 C LYS A 61 -11.190 3.265 -5.942 1.00 0.00 C ATOM 814 O LYS A 61 -10.394 3.047 -6.856 1.00 0.00 O ATOM 815 CB LYS A 61 -12.342 4.827 -7.521 1.00 0.00 C ATOM 816 CG LYS A 61 -13.676 5.130 -8.189 1.00 0.00 C ATOM 817 CD LYS A 61 -14.075 6.583 -8.016 1.00 0.00 C ATOM 818 CE LYS A 61 -13.086 7.515 -8.698 1.00 0.00 C ATOM 819 NZ LYS A 61 -12.977 7.247 -10.157 1.00 0.00 N ATOM 0 H LYS A 61 -13.714 4.722 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.296 3.353 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.819 5.765 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.725 4.249 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.612 4.894 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.449 4.488 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.071 6.740 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.130 6.823 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.396 8.548 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.105 7.403 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.997 6.990 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.611 6.464 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.247 8.100 -10.688 1.00 0.00 H new ATOM 829 N THR A 62 -11.001 2.831 -4.704 1.00 0.00 N ATOM 830 CA THR A 62 -9.826 2.049 -4.340 1.00 0.00 C ATOM 831 C THR A 62 -9.798 0.719 -5.091 1.00 0.00 C ATOM 832 O THR A 62 -10.738 -0.075 -5.008 1.00 0.00 O ATOM 833 CB THR A 62 -9.786 1.766 -2.830 1.00 0.00 C ATOM 834 OG1 THR A 62 -11.099 1.436 -2.363 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.253 2.952 -2.044 1.00 0.00 C ATOM 0 H THR A 62 -11.646 3.007 -3.934 1.00 0.00 H new ATOM 0 HA THR A 62 -8.954 2.642 -4.616 1.00 0.00 H new ATOM 0 HB THR A 62 -9.109 0.927 -2.671 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.098 1.400 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.242 2.709 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.240 3.182 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.894 3.817 -2.211 1.00 0.00 H new ATOM 843 N ALA A 63 -8.718 0.485 -5.821 1.00 0.00 N ATOM 844 CA ALA A 63 -8.550 -0.738 -6.590 1.00 0.00 C ATOM 845 C ALA A 63 -7.069 -1.033 -6.754 1.00 0.00 C ATOM 846 O ALA A 63 -6.244 -0.121 -6.679 1.00 0.00 O ATOM 847 CB ALA A 63 -9.226 -0.619 -7.948 1.00 0.00 C ATOM 0 H ALA A 63 -7.936 1.135 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.022 -1.562 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.087 -1.545 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.291 -0.435 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.784 0.208 -8.503 1.00 0.00 H new ATOM 853 N LEU A 64 -6.728 -2.290 -6.967 1.00 0.00 N ATOM 854 CA LEU A 64 -5.337 -2.679 -7.127 1.00 0.00 C ATOM 855 C LEU A 64 -5.056 -3.111 -8.563 1.00 0.00 C ATOM 856 O LEU A 64 -5.663 -4.056 -9.068 1.00 0.00 O ATOM 857 CB LEU A 64 -5.002 -3.806 -6.145 1.00 0.00 C ATOM 858 CG LEU A 64 -3.787 -3.552 -5.250 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.508 -3.651 -6.050 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.884 -2.183 -4.593 1.00 0.00 C ATOM 0 H LEU A 64 -7.394 -3.060 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.703 -1.820 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.870 -3.983 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.830 -4.721 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.774 -4.315 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.655 -3.467 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.426 -4.648 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.520 -2.909 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.011 -2.020 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.923 -1.412 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.787 -2.135 -3.985 1.00 0.00 H new ATOM 871 N ASN A 65 -4.133 -2.411 -9.213 1.00 0.00 N ATOM 872 CA ASN A 65 -3.772 -2.713 -10.590 1.00 0.00 C ATOM 873 C ASN A 65 -2.773 -3.845 -10.615 1.00 0.00 C ATOM 874 O ASN A 65 -1.676 -3.724 -10.049 1.00 0.00 O ATOM 875 CB ASN A 65 -3.161 -1.495 -11.273 1.00 0.00 C ATOM 876 CG ASN A 65 -3.347 -1.513 -12.780 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.438 -2.573 -13.396 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.396 -0.334 -13.382 1.00 0.00 N ATOM 0 H ASN A 65 -3.621 -1.629 -8.806 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.677 -2.999 -11.125 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.613 -0.591 -10.866 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.096 -1.451 -11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.513 -0.283 -14.394 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.317 0.522 -12.834 1.00 0.00 H new ATOM 884 N ASP A 66 -3.172 -4.934 -11.263 1.00 0.00 N ATOM 885 CA ASP A 66 -2.360 -6.146 -11.400 1.00 0.00 C ATOM 886 C ASP A 66 -2.199 -6.855 -10.057 1.00 0.00 C ATOM 887 O ASP A 66 -2.600 -8.009 -9.888 1.00 0.00 O ATOM 888 CB ASP A 66 -0.992 -5.808 -11.995 1.00 0.00 C ATOM 889 CG ASP A 66 -0.163 -7.039 -12.310 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.449 -7.607 -11.382 1.00 0.00 O ATOM 891 OD2 ASP A 66 -0.106 -7.436 -13.494 1.00 0.00 O ATOM 0 H ASP A 66 -4.083 -5.004 -11.717 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.878 -6.824 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.132 -5.228 -12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.444 -5.176 -11.296 1.00 0.00 H new ATOM 895 N GLY A 67 -1.628 -6.138 -9.110 1.00 0.00 N ATOM 896 CA GLY A 67 -1.406 -6.654 -7.781 1.00 0.00 C ATOM 897 C GLY A 67 -0.182 -6.033 -7.147 1.00 0.00 C ATOM 898 O GLY A 67 0.524 -6.678 -6.381 1.00 0.00 O ATOM 0 H GLY A 67 -1.305 -5.180 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.280 -6.455 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.286 -7.736 -7.824 1.00 0.00 H new ATOM 902 N HIS A 68 0.056 -4.760 -7.455 1.00 0.00 N ATOM 903 CA HIS A 68 1.218 -4.051 -6.920 1.00 0.00 C ATOM 904 C HIS A 68 1.013 -2.535 -6.887 1.00 0.00 C ATOM 905 O HIS A 68 1.712 -1.826 -6.167 1.00 0.00 O ATOM 906 CB HIS A 68 2.489 -4.400 -7.717 1.00 0.00 C ATOM 907 CG HIS A 68 2.384 -4.244 -9.213 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.026 -5.085 -10.096 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.729 -3.336 -9.981 1.00 0.00 C ATOM 910 CE1 HIS A 68 2.770 -4.707 -11.334 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.988 -3.651 -11.290 1.00 0.00 N ATOM 0 H HIS A 68 -0.536 -4.200 -8.069 1.00 0.00 H new ATOM 0 HA HIS A 68 1.341 -4.385 -5.890 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.304 -3.770 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.763 -5.432 -7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.118 -2.519 -9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.140 -5.183 -12.230 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.631 -3.146 -12.101 1.00 0.00 H new ATOM 919 N THR A 69 0.060 -2.039 -7.662 1.00 0.00 N ATOM 920 CA THR A 69 -0.207 -0.618 -7.714 1.00 0.00 C ATOM 921 C THR A 69 -1.605 -0.292 -7.208 1.00 0.00 C ATOM 922 O THR A 69 -2.583 -0.879 -7.655 1.00 0.00 O ATOM 923 CB THR A 69 -0.052 -0.109 -9.154 1.00 0.00 C ATOM 924 OG1 THR A 69 1.327 -0.144 -9.533 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.610 1.298 -9.312 1.00 0.00 C ATOM 0 H THR A 69 -0.540 -2.604 -8.263 1.00 0.00 H new ATOM 0 HA THR A 69 0.514 -0.121 -7.065 1.00 0.00 H new ATOM 0 HB THR A 69 -0.624 -0.765 -9.810 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.422 0.180 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.483 1.626 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.670 1.300 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.077 1.978 -8.647 1.00 0.00 H new ATOM 933 N LEU A 70 -1.689 0.635 -6.273 1.00 0.00 N ATOM 934 CA LEU A 70 -2.977 1.056 -5.736 1.00 0.00 C ATOM 935 C LEU A 70 -3.509 2.231 -6.539 1.00 0.00 C ATOM 936 O LEU A 70 -2.793 3.186 -6.794 1.00 0.00 O ATOM 937 CB LEU A 70 -2.859 1.424 -4.251 1.00 0.00 C ATOM 938 CG LEU A 70 -3.979 2.304 -3.676 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.323 1.596 -3.730 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.651 2.706 -2.246 1.00 0.00 C ATOM 0 H LEU A 70 -0.884 1.113 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.677 0.225 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.818 0.501 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.909 1.937 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.049 3.202 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.094 2.246 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.567 1.358 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.273 0.676 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.453 3.329 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.549 1.812 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.715 3.265 -2.231 1.00 0.00 H new ATOM 951 N THR A 71 -4.755 2.141 -6.954 1.00 0.00 N ATOM 952 CA THR A 71 -5.373 3.200 -7.725 1.00 0.00 C ATOM 953 C THR A 71 -6.589 3.747 -7.006 1.00 0.00 C ATOM 954 O THR A 71 -7.442 2.984 -6.551 1.00 0.00 O ATOM 955 CB THR A 71 -5.790 2.712 -9.122 1.00 0.00 C ATOM 956 OG1 THR A 71 -6.023 1.295 -9.112 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.728 3.054 -10.146 1.00 0.00 C ATOM 0 H THR A 71 -5.362 1.342 -6.770 1.00 0.00 H new ATOM 0 HA THR A 71 -4.630 3.989 -7.838 1.00 0.00 H new ATOM 0 HB THR A 71 -6.716 3.219 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.474 1.044 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.042 2.700 -11.128 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.587 4.134 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.789 2.574 -9.871 1.00 0.00 H new ATOM 965 N ALA A 72 -6.645 5.062 -6.879 1.00 0.00 N ATOM 966 CA ALA A 72 -7.771 5.711 -6.229 1.00 0.00 C ATOM 967 C ALA A 72 -7.858 7.182 -6.619 1.00 0.00 C ATOM 968 O ALA A 72 -6.911 7.752 -7.167 1.00 0.00 O ATOM 969 CB ALA A 72 -7.676 5.563 -4.718 1.00 0.00 C ATOM 0 H ALA A 72 -5.925 5.700 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.683 5.219 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.528 6.056 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.679 4.505 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.753 6.022 -4.365 1.00 0.00 H new ATOM 975 N SER A 73 -9.007 7.779 -6.356 1.00 0.00 N ATOM 976 CA SER A 73 -9.240 9.180 -6.657 1.00 0.00 C ATOM 977 C SER A 73 -9.342 9.954 -5.353 1.00 0.00 C ATOM 978 O SER A 73 -10.171 9.630 -4.502 1.00 0.00 O ATOM 979 CB SER A 73 -10.523 9.337 -7.474 1.00 0.00 C ATOM 980 OG SER A 73 -10.754 10.690 -7.832 1.00 0.00 O ATOM 0 H SER A 73 -9.804 7.307 -5.928 1.00 0.00 H new ATOM 0 HA SER A 73 -8.412 9.572 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.457 8.728 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.369 8.963 -6.898 1.00 0.00 H new ATOM 0 HG SER A 73 -11.691 10.919 -7.659 1.00 0.00 H new ATOM 985 N CYS A 74 -8.514 10.972 -5.196 1.00 0.00 N ATOM 986 CA CYS A 74 -8.509 11.752 -3.969 1.00 0.00 C ATOM 987 C CYS A 74 -8.697 13.235 -4.242 1.00 0.00 C ATOM 988 O CYS A 74 -8.389 13.722 -5.330 1.00 0.00 O ATOM 989 CB CYS A 74 -7.190 11.534 -3.239 1.00 0.00 C ATOM 990 SG CYS A 74 -6.778 9.784 -2.978 1.00 0.00 S ATOM 0 H CYS A 74 -7.840 11.277 -5.898 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.344 11.417 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.388 12.006 -3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.233 12.036 -2.272 1.00 0.00 H new ATOM 994 N LYS A 75 -9.235 13.939 -3.255 1.00 0.00 N ATOM 995 CA LYS A 75 -9.447 15.375 -3.359 1.00 0.00 C ATOM 996 C LYS A 75 -8.321 16.114 -2.643 1.00 0.00 C ATOM 997 O LYS A 75 -7.819 15.645 -1.623 1.00 0.00 O ATOM 998 CB LYS A 75 -10.817 15.761 -2.771 1.00 0.00 C ATOM 999 CG LYS A 75 -11.028 17.261 -2.593 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.559 17.731 -1.222 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.367 19.233 -1.184 1.00 0.00 C ATOM 1002 NZ LYS A 75 -9.931 19.706 0.155 1.00 0.00 N ATOM 0 H LYS A 75 -9.534 13.535 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.440 15.662 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.600 15.371 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.934 15.273 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.485 17.801 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.084 17.499 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.288 17.437 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.621 17.237 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.626 19.522 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.301 19.725 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.812 20.739 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.649 19.453 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.026 19.257 0.404 1.00 0.00 H new ATOM 1012 N GLY A 76 -7.918 17.260 -3.180 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.869 18.036 -2.544 1.00 0.00 C ATOM 1014 C GLY A 76 -6.128 18.930 -3.510 1.00 0.00 C ATOM 1015 O GLY A 76 -5.582 19.960 -3.118 1.00 0.00 O ATOM 0 H GLY A 76 -8.295 17.664 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.305 18.647 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.160 17.358 -2.069 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.106 18.526 -4.775 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.438 19.281 -5.828 1.00 0.00 C ATOM 1021 C ALA A 77 -5.890 20.736 -5.852 1.00 0.00 C ATOM 1022 O ALA A 77 -5.070 21.644 -5.991 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.687 18.620 -7.175 1.00 0.00 C ATOM 0 H ALA A 77 -6.550 17.667 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.368 19.278 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.185 19.189 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.296 17.603 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.758 18.594 -7.375 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.191 20.947 -5.696 1.00 0.00 N ATOM 1030 CA ASP A 78 -7.760 22.294 -5.697 1.00 0.00 C ATOM 1031 C ASP A 78 -9.253 22.230 -5.396 1.00 0.00 C ATOM 1032 O ASP A 78 -10.077 22.712 -6.169 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.523 22.975 -7.049 1.00 0.00 C ATOM 1034 CG ASP A 78 -7.840 24.457 -7.022 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.263 25.176 -6.179 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -8.651 24.909 -7.856 1.00 0.00 O ATOM 0 H ASP A 78 -7.876 20.202 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.267 22.881 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.483 22.836 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.137 22.490 -7.808 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.599 21.609 -4.275 1.00 0.00 N ATOM 1041 CA GLY A 79 -10.997 21.479 -3.899 1.00 0.00 C ATOM 1042 C GLY A 79 -11.738 20.549 -4.835 1.00 0.00 C ATOM 1043 O GLY A 79 -12.960 20.594 -4.949 1.00 0.00 O ATOM 0 H GLY A 79 -8.938 21.193 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.067 21.102 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.471 22.461 -3.909 1.00 0.00 H new ATOM 1047 N GLN A 80 -10.973 19.713 -5.513 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.510 18.754 -6.456 1.00 0.00 C ATOM 1049 C GLN A 80 -10.712 17.466 -6.359 1.00 0.00 C ATOM 1050 O GLN A 80 -9.583 17.465 -5.855 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.451 19.309 -7.883 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.050 19.685 -8.339 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.028 20.224 -9.754 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.847 19.845 -10.591 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.090 21.113 -10.032 1.00 0.00 N ATOM 0 H GLN A 80 -9.957 19.681 -5.423 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.555 18.557 -6.214 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.859 18.566 -8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.092 20.188 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.639 20.434 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.403 18.810 -8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.430 21.401 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.026 21.511 -10.969 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.302 16.377 -6.816 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.643 15.083 -6.773 1.00 0.00 C ATOM 1064 C TYR A 81 -10.081 14.732 -8.144 1.00 0.00 C ATOM 1065 O TYR A 81 -10.423 15.369 -9.142 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.615 14.001 -6.288 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.854 13.868 -7.139 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.850 13.074 -8.274 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.023 14.548 -6.817 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.965 12.955 -9.067 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.152 14.431 -7.605 1.00 0.00 C ATOM 1072 CZ TYR A 81 -15.117 13.635 -8.732 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.234 13.530 -9.529 1.00 0.00 O ATOM 0 H TYR A 81 -12.238 16.362 -7.222 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.815 15.135 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.096 13.043 -6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.912 14.226 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.952 12.537 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.049 15.176 -5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.940 12.332 -9.949 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.056 14.959 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.958 14.071 -9.150 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.228 13.720 -8.187 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.608 13.286 -9.428 1.00 0.00 C ATOM 1084 C HIS A 82 -8.114 11.854 -9.258 1.00 0.00 C ATOM 1085 O HIS A 82 -7.691 11.468 -8.168 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.441 14.216 -9.779 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.041 14.192 -11.224 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.559 15.058 -12.163 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.151 13.420 -11.885 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.005 14.816 -13.334 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.141 13.827 -13.195 1.00 0.00 N ATOM 0 H HIS A 82 -8.948 13.180 -7.368 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.334 13.324 -10.240 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.711 15.236 -9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.579 13.942 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.555 12.626 -11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.221 15.339 -14.254 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.563 13.432 -13.937 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.180 11.071 -10.322 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.745 9.680 -10.274 1.00 0.00 C ATOM 1101 C ASP A 83 -6.230 9.586 -10.352 1.00 0.00 C ATOM 1102 O ASP A 83 -5.597 10.214 -11.206 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.372 8.863 -11.410 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.866 8.661 -11.239 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.273 7.850 -10.384 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.647 9.308 -11.967 1.00 0.00 O ATOM 0 H ASP A 83 -8.530 11.373 -11.231 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.079 9.266 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.185 9.366 -12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.883 7.890 -11.464 1.00 0.00 H new ATOM 1110 N SER A 84 -5.650 8.809 -9.452 1.00 0.00 N ATOM 1111 CA SER A 84 -4.211 8.627 -9.412 1.00 0.00 C ATOM 1112 C SER A 84 -3.871 7.194 -9.025 1.00 0.00 C ATOM 1113 O SER A 84 -4.761 6.396 -8.723 1.00 0.00 O ATOM 1114 CB SER A 84 -3.586 9.609 -8.422 1.00 0.00 C ATOM 1115 OG SER A 84 -4.212 9.531 -7.154 1.00 0.00 O ATOM 0 H SER A 84 -6.159 8.292 -8.735 1.00 0.00 H new ATOM 0 HA SER A 84 -3.803 8.823 -10.404 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.522 9.396 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.672 10.624 -8.810 1.00 0.00 H new ATOM 0 HG SER A 84 -4.962 10.161 -7.120 1.00 0.00 H new ATOM 1120 N SER A 85 -2.588 6.872 -9.031 1.00 0.00 N ATOM 1121 CA SER A 85 -2.140 5.537 -8.677 1.00 0.00 C ATOM 1122 C SER A 85 -0.895 5.613 -7.820 1.00 0.00 C ATOM 1123 O SER A 85 -0.246 6.657 -7.743 1.00 0.00 O ATOM 1124 CB SER A 85 -1.836 4.706 -9.914 1.00 0.00 C ATOM 1125 OG SER A 85 -2.405 5.282 -11.080 1.00 0.00 O ATOM 0 H SER A 85 -1.838 7.518 -9.278 1.00 0.00 H new ATOM 0 HA SER A 85 -2.947 5.059 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.757 4.619 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.223 3.696 -9.780 1.00 0.00 H new ATOM 0 HG SER A 85 -2.190 4.726 -11.858 1.00 0.00 H new ATOM 1130 N MET A 86 -0.569 4.506 -7.182 1.00 0.00 N ATOM 1131 CA MET A 86 0.591 4.444 -6.335 1.00 0.00 C ATOM 1132 C MET A 86 1.243 3.075 -6.383 1.00 0.00 C ATOM 1133 O MET A 86 0.608 2.064 -6.082 1.00 0.00 O ATOM 1134 CB MET A 86 0.197 4.761 -4.904 1.00 0.00 C ATOM 1135 CG MET A 86 1.378 4.930 -3.967 1.00 0.00 C ATOM 1136 SD MET A 86 2.261 6.485 -4.237 1.00 0.00 S ATOM 1137 CE MET A 86 2.997 6.263 -5.858 1.00 0.00 C ATOM 0 H MET A 86 -1.099 3.636 -7.239 1.00 0.00 H new ATOM 0 HA MET A 86 1.310 5.178 -6.699 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.396 5.675 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.442 3.962 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.028 4.889 -2.936 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.067 4.097 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.728 7.051 -6.037 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.491 5.293 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.219 6.310 -6.620 1.00 0.00 H new ATOM 1145 N ASP A 87 2.506 3.043 -6.768 1.00 0.00 N ATOM 1146 CA ASP A 87 3.248 1.804 -6.823 1.00 0.00 C ATOM 1147 C ASP A 87 3.617 1.393 -5.406 1.00 0.00 C ATOM 1148 O ASP A 87 4.522 1.965 -4.795 1.00 0.00 O ATOM 1149 CB ASP A 87 4.513 1.966 -7.669 1.00 0.00 C ATOM 1150 CG ASP A 87 4.223 2.290 -9.123 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.818 3.435 -9.410 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.406 1.403 -9.989 1.00 0.00 O ATOM 0 H ASP A 87 3.038 3.867 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 87 2.631 1.034 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.128 2.758 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.097 1.047 -7.618 1.00 0.00 H new ATOM 1156 N LEU A 88 2.919 0.394 -4.895 1.00 0.00 N ATOM 1157 CA LEU A 88 3.149 -0.100 -3.545 1.00 0.00 C ATOM 1158 C LEU A 88 4.392 -0.966 -3.524 1.00 0.00 C ATOM 1159 O LEU A 88 4.845 -1.396 -2.465 1.00 0.00 O ATOM 1160 CB LEU A 88 1.945 -0.900 -3.049 1.00 0.00 C ATOM 1161 CG LEU A 88 0.575 -0.271 -3.318 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.528 -1.154 -2.758 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.502 1.127 -2.718 1.00 0.00 C ATOM 0 H LEU A 88 2.180 -0.097 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 88 3.290 0.753 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.970 -1.885 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.050 -1.052 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 88 0.436 -0.186 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.497 -0.695 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.486 -2.134 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.393 -1.267 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.479 1.558 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.659 1.069 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.273 1.755 -3.164 1.00 0.00 H new ATOM 1174 N ASN A 89 4.908 -1.242 -4.717 1.00 0.00 N ATOM 1175 CA ASN A 89 6.120 -2.048 -4.881 1.00 0.00 C ATOM 1176 C ASN A 89 7.231 -1.597 -3.935 1.00 0.00 C ATOM 1177 O ASN A 89 8.017 -2.418 -3.462 1.00 0.00 O ATOM 1178 CB ASN A 89 6.628 -1.977 -6.324 1.00 0.00 C ATOM 1179 CG ASN A 89 5.846 -2.868 -7.266 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.854 -2.448 -7.859 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.301 -4.102 -7.423 1.00 0.00 N ATOM 0 H ASN A 89 4.503 -0.917 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 89 5.853 -3.076 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.570 -0.946 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.679 -2.264 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.824 -4.745 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.128 -4.410 -6.911 1.00 0.00 H new ATOM 1187 N TYR A 90 7.289 -0.303 -3.638 1.00 0.00 N ATOM 1188 CA TYR A 90 8.317 0.211 -2.747 1.00 0.00 C ATOM 1189 C TYR A 90 7.709 0.796 -1.479 1.00 0.00 C ATOM 1190 O TYR A 90 8.315 1.639 -0.815 1.00 0.00 O ATOM 1191 CB TYR A 90 9.214 1.236 -3.459 1.00 0.00 C ATOM 1192 CG TYR A 90 8.480 2.333 -4.207 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.001 3.455 -3.546 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.294 2.254 -5.583 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.352 4.463 -4.231 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.651 3.263 -6.276 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.180 4.365 -5.595 1.00 0.00 C ATOM 1198 OH TYR A 90 6.543 5.380 -6.278 1.00 0.00 O ATOM 0 H TYR A 90 6.643 0.400 -3.997 1.00 0.00 H new ATOM 0 HA TYR A 90 8.946 -0.629 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.867 1.698 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.855 0.706 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.138 3.541 -2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.658 1.390 -6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.980 5.326 -3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.518 3.188 -7.345 1.00 0.00 H new ATOM 0 HH TYR A 90 6.304 6.095 -5.652 1.00 0.00 H new ATOM 1207 N VAL A 91 6.495 0.357 -1.149 1.00 0.00 N ATOM 1208 CA VAL A 91 5.835 0.829 0.059 1.00 0.00 C ATOM 1209 C VAL A 91 5.357 -0.350 0.915 1.00 0.00 C ATOM 1210 O VAL A 91 5.016 -0.182 2.086 1.00 0.00 O ATOM 1211 CB VAL A 91 4.677 1.825 -0.234 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.006 2.721 -1.401 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.345 1.159 -0.465 1.00 0.00 C ATOM 0 H VAL A 91 5.957 -0.316 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 91 6.579 1.388 0.627 1.00 0.00 H new ATOM 0 HB VAL A 91 4.580 2.423 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.176 3.405 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.907 3.293 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.173 2.113 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.588 1.918 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.418 0.487 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.065 0.589 0.421 1.00 0.00 H new ATOM 1223 N VAL A 92 5.352 -1.552 0.329 1.00 0.00 N ATOM 1224 CA VAL A 92 4.943 -2.761 1.050 1.00 0.00 C ATOM 1225 C VAL A 92 5.960 -3.877 0.831 1.00 0.00 C ATOM 1226 O VAL A 92 6.568 -3.968 -0.236 1.00 0.00 O ATOM 1227 CB VAL A 92 3.567 -3.303 0.598 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.979 -4.236 1.648 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.598 -2.190 0.279 1.00 0.00 C ATOM 0 H VAL A 92 5.626 -1.713 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 92 4.880 -2.470 2.099 1.00 0.00 H new ATOM 0 HB VAL A 92 3.731 -3.868 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.011 -4.604 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.653 -5.078 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.851 -3.694 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.645 -2.616 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.447 -1.574 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.002 -1.575 -0.525 1.00 0.00 H new ATOM 1239 N GLY A 93 6.127 -4.730 1.836 1.00 0.00 N ATOM 1240 CA GLY A 93 7.053 -5.839 1.733 1.00 0.00 C ATOM 1241 C GLY A 93 6.502 -7.096 2.383 1.00 0.00 C ATOM 1242 O GLY A 93 5.435 -7.056 3.004 1.00 0.00 O ATOM 0 H GLY A 93 5.633 -4.671 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.268 -6.037 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.997 -5.569 2.206 1.00 0.00 H new ATOM 1246 N ASN A 94 7.225 -8.202 2.248 1.00 0.00 N ATOM 1247 CA ASN A 94 6.801 -9.482 2.816 1.00 0.00 C ATOM 1248 C ASN A 94 7.960 -10.186 3.508 1.00 0.00 C ATOM 1249 O ASN A 94 9.054 -10.289 2.953 1.00 0.00 O ATOM 1250 CB ASN A 94 6.247 -10.400 1.723 1.00 0.00 C ATOM 1251 CG ASN A 94 5.956 -11.808 2.228 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.510 -12.007 3.359 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.233 -12.799 1.394 1.00 0.00 N ATOM 0 H ASN A 94 8.113 -8.240 1.748 1.00 0.00 H new ATOM 0 HA ASN A 94 6.022 -9.270 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.332 -9.967 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.962 -10.454 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.078 -13.765 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.601 -12.596 0.465 1.00 0.00 H new ATOM 1259 N SER A 95 7.713 -10.683 4.706 1.00 0.00 N ATOM 1260 CA SER A 95 8.718 -11.394 5.465 1.00 0.00 C ATOM 1261 C SER A 95 8.084 -12.549 6.227 1.00 0.00 C ATOM 1262 O SER A 95 7.244 -12.337 7.103 1.00 0.00 O ATOM 1263 CB SER A 95 9.434 -10.449 6.428 1.00 0.00 C ATOM 1264 OG SER A 95 10.410 -9.674 5.751 1.00 0.00 O ATOM 0 H SER A 95 6.812 -10.604 5.177 1.00 0.00 H new ATOM 0 HA SER A 95 9.455 -11.797 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.707 -9.790 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.909 -11.025 7.222 1.00 0.00 H new ATOM 0 HG SER A 95 9.972 -9.111 5.079 1.00 0.00 H new ATOM 1269 N TYR A 96 8.483 -13.767 5.867 1.00 0.00 N ATOM 1270 CA TYR A 96 7.977 -14.985 6.498 1.00 0.00 C ATOM 1271 C TYR A 96 6.461 -15.096 6.358 1.00 0.00 C ATOM 1272 O TYR A 96 5.770 -15.503 7.291 1.00 0.00 O ATOM 1273 CB TYR A 96 8.371 -15.037 7.980 1.00 0.00 C ATOM 1274 CG TYR A 96 9.865 -15.019 8.221 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.611 -16.186 8.151 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.528 -13.834 8.523 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.975 -16.175 8.372 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.892 -13.815 8.745 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.609 -14.989 8.668 1.00 0.00 C ATOM 1280 OH TYR A 96 13.966 -14.979 8.887 1.00 0.00 O ATOM 0 H TYR A 96 9.166 -13.938 5.129 1.00 0.00 H new ATOM 0 HA TYR A 96 8.432 -15.831 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.920 -14.189 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.952 -15.940 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.118 -17.119 7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.967 -12.913 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.541 -17.093 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.392 -12.886 8.977 1.00 0.00 H new ATOM 0 HH TYR A 96 14.259 -14.065 9.083 1.00 0.00 H new ATOM 1289 N GLY A 97 5.951 -14.748 5.178 1.00 0.00 N ATOM 1290 CA GLY A 97 4.522 -14.807 4.929 1.00 0.00 C ATOM 1291 C GLY A 97 3.741 -13.813 5.764 1.00 0.00 C ATOM 1292 O GLY A 97 2.514 -13.888 5.842 1.00 0.00 O ATOM 0 H GLY A 97 6.507 -14.425 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.333 -14.615 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.162 -15.814 5.139 1.00 0.00 H new ATOM 1296 N TYR A 98 4.447 -12.885 6.387 1.00 0.00 N ATOM 1297 CA TYR A 98 3.818 -11.882 7.221 1.00 0.00 C ATOM 1298 C TYR A 98 4.014 -10.506 6.597 1.00 0.00 C ATOM 1299 O TYR A 98 5.083 -10.200 6.063 1.00 0.00 O ATOM 1300 CB TYR A 98 4.415 -11.923 8.633 1.00 0.00 C ATOM 1301 CG TYR A 98 3.544 -11.294 9.702 1.00 0.00 C ATOM 1302 CD1 TYR A 98 3.285 -9.931 9.707 1.00 0.00 C ATOM 1303 CD2 TYR A 98 2.987 -12.068 10.712 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.497 -9.355 10.686 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.199 -11.501 11.696 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.958 -10.143 11.679 1.00 0.00 C ATOM 1307 OH TYR A 98 1.173 -9.571 12.656 1.00 0.00 O ATOM 0 H TYR A 98 5.462 -12.808 6.329 1.00 0.00 H new ATOM 0 HA TYR A 98 2.750 -12.088 7.294 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.606 -12.962 8.903 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.379 -11.414 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.707 -9.308 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.173 -13.132 10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.305 -8.292 10.672 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.774 -12.118 12.474 1.00 0.00 H new ATOM 0 HH TYR A 98 0.870 -10.264 13.280 1.00 0.00 H new ATOM 1316 N MET A 99 2.971 -9.696 6.658 1.00 0.00 N ATOM 1317 CA MET A 99 2.999 -8.353 6.099 1.00 0.00 C ATOM 1318 C MET A 99 3.978 -7.445 6.839 1.00 0.00 C ATOM 1319 O MET A 99 4.025 -7.425 8.069 1.00 0.00 O ATOM 1320 CB MET A 99 1.586 -7.748 6.113 1.00 0.00 C ATOM 1321 CG MET A 99 0.885 -7.807 7.467 1.00 0.00 C ATOM 1322 SD MET A 99 1.300 -6.429 8.561 1.00 0.00 S ATOM 1323 CE MET A 99 0.570 -5.052 7.681 1.00 0.00 C ATOM 0 H MET A 99 2.084 -9.948 7.094 1.00 0.00 H new ATOM 0 HA MET A 99 3.348 -8.430 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.647 -6.707 5.795 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.974 -8.270 5.378 1.00 0.00 H new ATOM 0 HG2 MET A 99 -0.193 -7.821 7.308 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.146 -8.743 7.961 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.329 -4.289 7.505 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.175 -5.399 6.726 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.239 -4.628 8.276 1.00 0.00 H new ATOM 1331 N GLU A 100 4.779 -6.723 6.071 1.00 0.00 N ATOM 1332 CA GLU A 100 5.742 -5.778 6.622 1.00 0.00 C ATOM 1333 C GLU A 100 6.014 -4.664 5.606 1.00 0.00 C ATOM 1334 O GLU A 100 7.089 -4.578 5.018 1.00 0.00 O ATOM 1335 CB GLU A 100 7.038 -6.491 7.024 1.00 0.00 C ATOM 1336 CG GLU A 100 7.601 -7.384 5.938 1.00 0.00 C ATOM 1337 CD GLU A 100 9.012 -7.006 5.539 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.660 -6.231 6.276 1.00 0.00 O ATOM 1339 OE2 GLU A 100 9.488 -7.494 4.497 1.00 0.00 O ATOM 0 H GLU A 100 4.781 -6.774 5.052 1.00 0.00 H new ATOM 0 HA GLU A 100 5.323 -5.331 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.785 -5.744 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.852 -7.090 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.591 -8.418 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.955 -7.334 5.062 1.00 0.00 H new ATOM 1344 N PRO A 101 5.010 -3.806 5.372 1.00 0.00 N ATOM 1345 CA PRO A 101 5.111 -2.684 4.430 1.00 0.00 C ATOM 1346 C PRO A 101 6.278 -1.756 4.749 1.00 0.00 C ATOM 1347 O PRO A 101 6.213 -0.948 5.678 1.00 0.00 O ATOM 1348 CB PRO A 101 3.778 -1.944 4.602 1.00 0.00 C ATOM 1349 CG PRO A 101 3.218 -2.445 5.889 1.00 0.00 C ATOM 1350 CD PRO A 101 3.696 -3.857 6.014 1.00 0.00 C ATOM 0 HA PRO A 101 5.293 -3.030 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.927 -0.865 4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.103 -2.150 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.561 -1.839 6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.129 -2.399 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.765 -4.171 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.027 -4.557 5.514 1.00 0.00 H new ATOM 1355 N CYS A 102 7.348 -1.883 3.986 1.00 0.00 N ATOM 1356 CA CYS A 102 8.516 -1.053 4.194 1.00 0.00 C ATOM 1357 C CYS A 102 8.654 -0.025 3.091 1.00 0.00 C ATOM 1358 O CYS A 102 8.925 -0.350 1.937 1.00 0.00 O ATOM 1359 CB CYS A 102 9.772 -1.912 4.284 1.00 0.00 C ATOM 1360 SG CYS A 102 9.722 -3.422 3.252 1.00 0.00 S ATOM 0 H CYS A 102 7.431 -2.551 3.220 1.00 0.00 H new ATOM 0 HA CYS A 102 8.390 -0.522 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.632 -1.311 3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.928 -2.201 5.323 1.00 0.00 H new