USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=27 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 MET CE :methyl -141:sc= -3.78 (180deg=-7.53!) USER MOD Set 2.2: A 90 TYR OH : rot 159:sc= 0.257 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.574 K(o=1.1,f=1.9) USER MOD Set 3.2: A 71 THR OG1 : rot 130:sc= 0.494 USER MOD Set 4.1: A 68 HIS : no HE2:sc= -4.47! C(o=-8.2!,f=-10!) USER MOD Set 4.2: A 69 THR OG1 : rot 180:sc= -0.252 USER MOD Set 4.3: A 89 ASN : amide:sc= -3.52! X(o=-8.2!,f=-8.5) USER MOD Single : A 4 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.32) USER MOD Single : A 7 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.4) 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 -6:sc= 1.02 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0676 K(o=0.068,f=-8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.484 K(o=0.48,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0555 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.6) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.335 K(o=0.33,f=-4.6!) USER MOD Single : A 45 ASN : amide:sc= -4.27! C(o=-4.3!,f=-5.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -122:sc= 0.401 (180deg=0.122) USER MOD Single : A 62 THR OG1 : rot -160:sc= 0.0532 USER MOD Single : A 73 SER OG : rot -131:sc= 0.579 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00163 K(o=-0.0016,f=-0.93) 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 -87:sc= -1.51 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.69! C(o=-1.7!,f=-5.2!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.441 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.599 -4.258 -1.072 1.00 0.00 N ATOM 34 CA CYS A 3 10.495 -4.972 -0.447 1.00 0.00 C ATOM 35 C CYS A 3 9.696 -5.780 -1.477 1.00 0.00 C ATOM 36 O CYS A 3 9.852 -6.997 -1.560 1.00 0.00 O ATOM 37 CB CYS A 3 9.595 -3.989 0.305 1.00 0.00 C ATOM 38 SG CYS A 3 10.443 -3.081 1.645 1.00 0.00 S ATOM 0 HA CYS A 3 10.907 -5.684 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.186 -3.270 -0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.751 -4.535 0.727 1.00 0.00 H new ATOM 42 N ASN A 4 8.862 -5.098 -2.271 1.00 0.00 N ATOM 43 CA ASN A 4 8.043 -5.748 -3.303 1.00 0.00 C ATOM 44 C ASN A 4 7.184 -6.873 -2.731 1.00 0.00 C ATOM 45 O ASN A 4 7.476 -8.051 -2.934 1.00 0.00 O ATOM 46 CB ASN A 4 8.914 -6.307 -4.434 1.00 0.00 C ATOM 47 CG ASN A 4 9.574 -5.231 -5.268 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.002 -4.743 -6.239 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.794 -4.872 -4.911 1.00 0.00 N ATOM 0 H ASN A 4 8.736 -4.087 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 4 7.384 -4.976 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.684 -6.949 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.300 -6.933 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.296 -4.165 -5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.234 -5.302 -4.097 1.00 0.00 H new ATOM 55 N PHE A 5 6.112 -6.505 -2.041 1.00 0.00 N ATOM 56 CA PHE A 5 5.213 -7.493 -1.447 1.00 0.00 C ATOM 57 C PHE A 5 4.607 -8.401 -2.525 1.00 0.00 C ATOM 58 O PHE A 5 4.450 -9.604 -2.329 1.00 0.00 O ATOM 59 CB PHE A 5 4.096 -6.800 -0.650 1.00 0.00 C ATOM 60 CG PHE A 5 3.020 -6.178 -1.502 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.250 -5.003 -2.200 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.776 -6.784 -1.609 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.263 -4.446 -2.989 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.787 -6.231 -2.398 1.00 0.00 C ATOM 65 CZ PHE A 5 1.029 -5.060 -3.087 1.00 0.00 C ATOM 0 H PHE A 5 5.842 -5.535 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 5 5.798 -8.110 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.638 -7.528 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.539 -6.026 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.212 -4.518 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.579 -7.698 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.455 -3.531 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.176 -6.715 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.255 -4.624 -3.702 1.00 0.00 H new ATOM 74 N ALA A 6 4.316 -7.808 -3.680 1.00 0.00 N ATOM 75 CA ALA A 6 3.698 -8.512 -4.800 1.00 0.00 C ATOM 76 C ALA A 6 4.622 -9.533 -5.452 1.00 0.00 C ATOM 77 O ALA A 6 4.150 -10.466 -6.096 1.00 0.00 O ATOM 78 CB ALA A 6 3.250 -7.506 -5.837 1.00 0.00 C ATOM 0 H ALA A 6 4.503 -6.823 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 6 2.848 -9.065 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.788 -8.028 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.527 -6.822 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.112 -6.941 -6.192 1.00 0.00 H new ATOM 84 N ASN A 7 5.930 -9.363 -5.290 1.00 0.00 N ATOM 85 CA ASN A 7 6.889 -10.286 -5.894 1.00 0.00 C ATOM 86 C ASN A 7 6.684 -11.706 -5.388 1.00 0.00 C ATOM 87 O ASN A 7 7.017 -12.676 -6.071 1.00 0.00 O ATOM 88 CB ASN A 7 8.328 -9.844 -5.632 1.00 0.00 C ATOM 89 CG ASN A 7 8.844 -8.880 -6.682 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.090 -8.086 -7.250 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.137 -8.952 -6.955 1.00 0.00 N ATOM 0 H ASN A 7 6.349 -8.604 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 7 6.712 -10.271 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.386 -9.372 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.974 -10.722 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.545 -8.336 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.726 -9.623 -6.462 1.00 0.00 H new ATOM 97 N SER A 8 6.121 -11.826 -4.200 1.00 0.00 N ATOM 98 CA SER A 8 5.869 -13.127 -3.614 1.00 0.00 C ATOM 99 C SER A 8 4.439 -13.210 -3.079 1.00 0.00 C ATOM 100 O SER A 8 4.170 -13.930 -2.122 1.00 0.00 O ATOM 101 CB SER A 8 6.878 -13.393 -2.495 1.00 0.00 C ATOM 102 OG SER A 8 8.210 -13.197 -2.951 1.00 0.00 O ATOM 0 H SER A 8 5.830 -11.037 -3.623 1.00 0.00 H new ATOM 0 HA SER A 8 5.985 -13.889 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.677 -12.729 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.761 -14.414 -2.131 1.00 0.00 H new ATOM 0 HG SER A 8 8.836 -13.372 -2.217 1.00 0.00 H new ATOM 107 N CYS A 9 3.525 -12.478 -3.705 1.00 0.00 N ATOM 108 CA CYS A 9 2.131 -12.491 -3.278 1.00 0.00 C ATOM 109 C CYS A 9 1.211 -12.702 -4.468 1.00 0.00 C ATOM 110 O CYS A 9 1.441 -12.156 -5.549 1.00 0.00 O ATOM 111 CB CYS A 9 1.756 -11.192 -2.565 1.00 0.00 C ATOM 112 SG CYS A 9 0.960 -11.446 -0.942 1.00 0.00 S ATOM 0 H CYS A 9 3.721 -11.873 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 9 2.010 -13.318 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.655 -10.591 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.083 -10.619 -3.203 1.00 0.00 H new ATOM 116 N THR A 10 0.174 -13.498 -4.266 1.00 0.00 N ATOM 117 CA THR A 10 -0.785 -13.787 -5.319 1.00 0.00 C ATOM 118 C THR A 10 -2.217 -13.654 -4.815 1.00 0.00 C ATOM 119 O THR A 10 -2.481 -13.876 -3.631 1.00 0.00 O ATOM 120 CB THR A 10 -0.588 -15.212 -5.863 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.482 -16.139 -4.768 1.00 0.00 O ATOM 122 CG2 THR A 10 0.650 -15.302 -6.736 1.00 0.00 C ATOM 0 H THR A 10 -0.026 -13.958 -3.378 1.00 0.00 H new ATOM 0 HA THR A 10 -0.613 -13.061 -6.114 1.00 0.00 H new ATOM 0 HB THR A 10 -1.453 -15.465 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.358 -17.046 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.762 -16.322 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.550 -14.619 -7.580 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.528 -15.030 -6.151 1.00 0.00 H new ATOM 130 N GLY A 11 -3.128 -13.293 -5.716 1.00 0.00 N ATOM 131 CA GLY A 11 -4.531 -13.155 -5.354 1.00 0.00 C ATOM 132 C GLY A 11 -4.752 -12.118 -4.273 1.00 0.00 C ATOM 133 O GLY A 11 -5.017 -12.455 -3.120 1.00 0.00 O ATOM 0 H GLY A 11 -2.919 -13.093 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.106 -12.881 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.911 -14.118 -5.012 1.00 0.00 H new ATOM 137 N VAL A 12 -4.635 -10.857 -4.646 1.00 0.00 N ATOM 138 CA VAL A 12 -4.813 -9.765 -3.706 1.00 0.00 C ATOM 139 C VAL A 12 -6.072 -8.963 -4.022 1.00 0.00 C ATOM 140 O VAL A 12 -6.438 -8.795 -5.186 1.00 0.00 O ATOM 141 CB VAL A 12 -3.591 -8.825 -3.704 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.344 -9.565 -3.244 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.374 -8.219 -5.079 1.00 0.00 C ATOM 0 H VAL A 12 -4.416 -10.562 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.918 -10.209 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.789 -8.015 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.493 -8.883 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.498 -9.944 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.146 -10.398 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.507 -7.559 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.204 -9.014 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.256 -7.647 -5.368 1.00 0.00 H new ATOM 153 N GLU A 13 -6.735 -8.492 -2.978 1.00 0.00 N ATOM 154 CA GLU A 13 -7.948 -7.698 -3.129 1.00 0.00 C ATOM 155 C GLU A 13 -7.834 -6.405 -2.330 1.00 0.00 C ATOM 156 O GLU A 13 -7.083 -6.341 -1.353 1.00 0.00 O ATOM 157 CB GLU A 13 -9.171 -8.470 -2.636 1.00 0.00 C ATOM 158 CG GLU A 13 -9.477 -9.734 -3.415 1.00 0.00 C ATOM 159 CD GLU A 13 -10.684 -10.456 -2.859 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.554 -11.102 -1.798 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.772 -10.364 -3.461 1.00 0.00 O ATOM 0 H GLU A 13 -6.453 -8.646 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.067 -7.473 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.021 -8.732 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.040 -7.813 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.653 -9.483 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.612 -10.397 -3.387 1.00 0.00 H new ATOM 166 N LEU A 14 -8.584 -5.388 -2.736 1.00 0.00 N ATOM 167 CA LEU A 14 -8.569 -4.106 -2.050 1.00 0.00 C ATOM 168 C LEU A 14 -9.989 -3.620 -1.792 1.00 0.00 C ATOM 169 O LEU A 14 -10.707 -3.237 -2.717 1.00 0.00 O ATOM 170 CB LEU A 14 -7.795 -3.071 -2.866 1.00 0.00 C ATOM 171 CG LEU A 14 -7.819 -1.645 -2.312 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.417 -1.611 -0.845 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.896 -0.770 -3.119 1.00 0.00 C ATOM 0 H LEU A 14 -9.211 -5.428 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.068 -4.237 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.757 -3.396 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.199 -3.056 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.839 -1.269 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.445 -0.583 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.110 -2.219 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.407 -2.007 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.916 0.245 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.881 -1.162 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.222 -0.758 -4.159 1.00 0.00 H new ATOM 184 N TYR A 15 -10.388 -3.640 -0.531 1.00 0.00 N ATOM 185 CA TYR A 15 -11.722 -3.201 -0.148 1.00 0.00 C ATOM 186 C TYR A 15 -11.655 -1.949 0.716 1.00 0.00 C ATOM 187 O TYR A 15 -11.355 -2.015 1.908 1.00 0.00 O ATOM 188 CB TYR A 15 -12.464 -4.321 0.588 1.00 0.00 C ATOM 189 CG TYR A 15 -12.846 -5.476 -0.311 1.00 0.00 C ATOM 190 CD1 TYR A 15 -11.941 -6.488 -0.597 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.109 -5.546 -0.881 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.284 -7.537 -1.428 1.00 0.00 C ATOM 193 CE2 TYR A 15 -14.461 -6.592 -1.710 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.546 -7.584 -1.982 1.00 0.00 C ATOM 195 OH TYR A 15 -13.895 -8.630 -2.810 1.00 0.00 O ATOM 0 H TYR A 15 -9.808 -3.956 0.246 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.273 -2.957 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.836 -4.692 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.365 -3.912 1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.953 -6.455 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.829 -4.769 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.568 -8.316 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.450 -6.632 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.109 -9.192 -2.976 1.00 0.00 H new ATOM 204 N GLY A 16 -11.902 -0.805 0.094 1.00 0.00 N ATOM 205 CA GLY A 16 -11.886 0.459 0.803 1.00 0.00 C ATOM 206 C GLY A 16 -10.484 0.967 1.072 1.00 0.00 C ATOM 207 O GLY A 16 -10.093 2.022 0.583 1.00 0.00 O ATOM 0 H GLY A 16 -12.116 -0.730 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.431 1.203 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.414 0.345 1.750 1.00 0.00 H new ATOM 211 N TYR A 17 -9.732 0.217 1.864 1.00 0.00 N ATOM 212 CA TYR A 17 -8.368 0.589 2.214 1.00 0.00 C ATOM 213 C TYR A 17 -7.609 -0.579 2.841 1.00 0.00 C ATOM 214 O TYR A 17 -6.637 -0.376 3.574 1.00 0.00 O ATOM 215 CB TYR A 17 -8.356 1.802 3.160 1.00 0.00 C ATOM 216 CG TYR A 17 -9.411 1.771 4.251 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.204 1.080 5.439 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.616 2.448 4.090 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.164 1.064 6.432 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.579 2.437 5.081 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.349 1.743 6.248 1.00 0.00 C ATOM 222 OH TYR A 17 -12.302 1.742 7.239 1.00 0.00 O ATOM 0 H TYR A 17 -10.046 -0.660 2.280 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.859 0.862 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.373 1.871 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.492 2.707 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.277 0.547 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.802 2.991 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.987 0.522 7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.508 2.970 4.941 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.076 2.269 6.949 1.00 0.00 H new ATOM 231 N ILE A 18 -8.050 -1.800 2.552 1.00 0.00 N ATOM 232 CA ILE A 18 -7.401 -2.995 3.084 1.00 0.00 C ATOM 233 C ILE A 18 -6.927 -3.905 1.955 1.00 0.00 C ATOM 234 O ILE A 18 -7.665 -4.170 1.006 1.00 0.00 O ATOM 235 CB ILE A 18 -8.324 -3.796 4.029 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.625 -4.189 3.322 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.617 -2.993 5.288 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.504 -5.115 4.133 1.00 0.00 C ATOM 0 H ILE A 18 -8.854 -1.988 1.953 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.544 -2.647 3.661 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.808 -4.713 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.186 -3.285 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.382 -4.671 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.268 -3.570 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.683 -2.774 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.110 -2.059 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.406 -5.349 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.962 -6.036 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.779 -4.629 5.069 1.00 0.00 H new ATOM 249 N LEU A 19 -5.695 -4.373 2.068 1.00 0.00 N ATOM 250 CA LEU A 19 -5.106 -5.244 1.064 1.00 0.00 C ATOM 251 C LEU A 19 -4.892 -6.627 1.644 1.00 0.00 C ATOM 252 O LEU A 19 -4.182 -6.782 2.630 1.00 0.00 O ATOM 253 CB LEU A 19 -3.761 -4.683 0.589 1.00 0.00 C ATOM 254 CG LEU A 19 -3.567 -4.636 -0.926 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.633 -6.030 -1.531 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.608 -3.730 -1.551 1.00 0.00 C ATOM 0 H LEU A 19 -5.078 -4.162 2.853 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.788 -5.302 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.648 -3.673 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.962 -5.286 1.022 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.576 -4.233 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.492 -5.965 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.849 -6.652 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.606 -6.473 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.464 -3.701 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.604 -4.112 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.506 -2.724 -1.144 1.00 0.00 H new ATOM 267 N ARG A 20 -5.508 -7.626 1.055 1.00 0.00 N ATOM 268 CA ARG A 20 -5.345 -8.982 1.538 1.00 0.00 C ATOM 269 C ARG A 20 -4.944 -9.891 0.395 1.00 0.00 C ATOM 270 O ARG A 20 -5.448 -9.753 -0.719 1.00 0.00 O ATOM 271 CB ARG A 20 -6.630 -9.487 2.192 1.00 0.00 C ATOM 272 CG ARG A 20 -6.482 -10.856 2.830 1.00 0.00 C ATOM 273 CD ARG A 20 -7.364 -11.891 2.148 1.00 0.00 C ATOM 274 NE ARG A 20 -8.763 -11.468 2.095 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.766 -12.135 2.663 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.539 -13.271 3.309 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.003 -11.664 2.571 1.00 0.00 N ATOM 0 H ARG A 20 -6.123 -7.529 0.247 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.558 -8.988 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.948 -8.773 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.420 -9.527 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.440 -11.172 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.742 -10.795 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.000 -12.067 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.291 -12.838 2.683 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.984 -10.609 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.590 -13.640 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.313 -13.775 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.182 -10.795 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.775 -12.171 3.004 1.00 0.00 H new ATOM 288 N GLY A 21 -4.030 -10.802 0.670 1.00 0.00 N ATOM 289 CA GLY A 21 -3.573 -11.715 -0.351 1.00 0.00 C ATOM 290 C GLY A 21 -2.770 -12.859 0.220 1.00 0.00 C ATOM 291 O GLY A 21 -2.629 -12.981 1.441 1.00 0.00 O ATOM 0 H GLY A 21 -3.595 -10.926 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.432 -12.112 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.964 -11.172 -1.074 1.00 0.00 H new ATOM 295 N ASP A 22 -2.239 -13.687 -0.662 1.00 0.00 N ATOM 296 CA ASP A 22 -1.441 -14.834 -0.259 1.00 0.00 C ATOM 297 C ASP A 22 0.028 -14.580 -0.554 1.00 0.00 C ATOM 298 O ASP A 22 0.446 -14.598 -1.714 1.00 0.00 O ATOM 299 CB ASP A 22 -1.903 -16.101 -0.990 1.00 0.00 C ATOM 300 CG ASP A 22 -3.263 -16.592 -0.535 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.284 -16.012 -0.959 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.319 -17.576 0.233 1.00 0.00 O ATOM 0 H ASP A 22 -2.347 -13.586 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.573 -14.981 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.935 -15.903 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.168 -16.891 -0.834 1.00 0.00 H new ATOM 306 N CYS A 23 0.812 -14.355 0.487 1.00 0.00 N ATOM 307 CA CYS A 23 2.234 -14.103 0.323 1.00 0.00 C ATOM 308 C CYS A 23 3.021 -15.336 0.741 1.00 0.00 C ATOM 309 O CYS A 23 2.798 -15.892 1.811 1.00 0.00 O ATOM 310 CB CYS A 23 2.673 -12.903 1.170 1.00 0.00 C ATOM 311 SG CYS A 23 2.483 -11.257 0.389 1.00 0.00 S ATOM 0 H CYS A 23 0.488 -14.342 1.454 1.00 0.00 H new ATOM 0 HA CYS A 23 2.429 -13.879 -0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.102 -12.911 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.721 -13.037 1.439 1.00 0.00 H new ATOM 315 N ILE A 24 3.957 -15.741 -0.099 1.00 0.00 N ATOM 316 CA ILE A 24 4.771 -16.920 0.156 1.00 0.00 C ATOM 317 C ILE A 24 5.779 -16.655 1.266 1.00 0.00 C ATOM 318 O ILE A 24 6.388 -15.587 1.318 1.00 0.00 O ATOM 319 CB ILE A 24 5.506 -17.360 -1.128 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.487 -17.659 -2.232 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.389 -18.571 -0.865 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.107 -18.015 -3.564 1.00 0.00 C ATOM 0 H ILE A 24 4.175 -15.265 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 24 4.106 -17.723 0.475 1.00 0.00 H new ATOM 0 HB ILE A 24 6.153 -16.546 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.848 -18.481 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.844 -16.789 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.895 -18.860 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.131 -18.322 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.775 -19.400 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.319 -18.212 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.723 -17.186 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.727 -18.904 -3.451 1.00 0.00 H new ATOM 333 N ASN A 25 5.936 -17.621 2.160 1.00 0.00 N ATOM 334 CA ASN A 25 6.874 -17.483 3.265 1.00 0.00 C ATOM 335 C ASN A 25 8.161 -18.246 2.960 1.00 0.00 C ATOM 336 O ASN A 25 8.301 -18.792 1.867 1.00 0.00 O ATOM 337 CB ASN A 25 6.243 -17.955 4.582 1.00 0.00 C ATOM 338 CG ASN A 25 6.229 -19.456 4.756 1.00 0.00 C ATOM 339 OD1 ASN A 25 7.125 -20.023 5.377 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.220 -20.106 4.208 1.00 0.00 N ATOM 0 H ASN A 25 5.428 -18.505 2.142 1.00 0.00 H new ATOM 0 HA ASN A 25 7.123 -16.428 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.788 -17.509 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.219 -17.584 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.162 -21.121 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.498 -19.594 3.701 1.00 0.00 H new ATOM 346 N GLU A 26 9.085 -18.301 3.915 1.00 0.00 N ATOM 347 CA GLU A 26 10.364 -18.990 3.711 1.00 0.00 C ATOM 348 C GLU A 26 10.170 -20.462 3.325 1.00 0.00 C ATOM 349 O GLU A 26 11.002 -21.052 2.639 1.00 0.00 O ATOM 350 CB GLU A 26 11.235 -18.880 4.966 1.00 0.00 C ATOM 351 CG GLU A 26 10.699 -19.635 6.176 1.00 0.00 C ATOM 352 CD GLU A 26 11.614 -19.521 7.377 1.00 0.00 C ATOM 353 OE1 GLU A 26 12.739 -20.061 7.329 1.00 0.00 O ATOM 354 OE2 GLU A 26 11.216 -18.887 8.372 1.00 0.00 O ATOM 0 H GLU A 26 8.976 -17.879 4.837 1.00 0.00 H new ATOM 0 HA GLU A 26 10.869 -18.498 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.233 -19.253 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.341 -17.827 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.713 -19.248 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.571 -20.686 5.918 1.00 0.00 H new ATOM 359 N ASP A 27 9.059 -21.034 3.761 1.00 0.00 N ATOM 360 CA ASP A 27 8.726 -22.427 3.479 1.00 0.00 C ATOM 361 C ASP A 27 8.509 -22.663 1.986 1.00 0.00 C ATOM 362 O ASP A 27 8.703 -23.772 1.483 1.00 0.00 O ATOM 363 CB ASP A 27 7.466 -22.802 4.254 1.00 0.00 C ATOM 364 CG ASP A 27 6.990 -24.213 3.987 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.647 -25.171 4.441 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.938 -24.367 3.338 1.00 0.00 O ATOM 0 H ASP A 27 8.360 -20.547 4.322 1.00 0.00 H new ATOM 0 HA ASP A 27 9.562 -23.053 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.658 -22.688 5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.670 -22.104 3.997 1.00 0.00 H new ATOM 370 N GLY A 28 8.115 -21.615 1.281 1.00 0.00 N ATOM 371 CA GLY A 28 7.872 -21.732 -0.142 1.00 0.00 C ATOM 372 C GLY A 28 6.401 -21.857 -0.454 1.00 0.00 C ATOM 373 O GLY A 28 6.007 -22.024 -1.608 1.00 0.00 O ATOM 0 H GLY A 28 7.959 -20.684 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.278 -20.859 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.401 -22.603 -0.530 1.00 0.00 H new ATOM 377 N HIS A 29 5.586 -21.783 0.585 1.00 0.00 N ATOM 378 CA HIS A 29 4.142 -21.876 0.437 1.00 0.00 C ATOM 379 C HIS A 29 3.488 -20.541 0.768 1.00 0.00 C ATOM 380 O HIS A 29 3.941 -19.821 1.665 1.00 0.00 O ATOM 381 CB HIS A 29 3.576 -22.977 1.337 1.00 0.00 C ATOM 382 CG HIS A 29 3.773 -24.362 0.796 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.731 -25.140 0.344 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.891 -25.113 0.646 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.195 -26.307 -0.055 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.502 -26.315 0.114 1.00 0.00 N ATOM 0 H HIS A 29 5.902 -21.658 1.547 1.00 0.00 H new ATOM 0 HA HIS A 29 3.921 -22.129 -0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.047 -22.910 2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.510 -22.802 1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.899 -24.820 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.605 -27.119 -0.453 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.124 -27.091 -0.114 1.00 0.00 H new ATOM 394 N PRO A 30 2.437 -20.177 0.018 1.00 0.00 N ATOM 395 CA PRO A 30 1.705 -18.925 0.225 1.00 0.00 C ATOM 396 C PRO A 30 0.916 -18.916 1.532 1.00 0.00 C ATOM 397 O PRO A 30 0.272 -19.899 1.897 1.00 0.00 O ATOM 398 CB PRO A 30 0.759 -18.856 -0.977 1.00 0.00 C ATOM 399 CG PRO A 30 0.590 -20.270 -1.414 1.00 0.00 C ATOM 400 CD PRO A 30 1.893 -20.953 -1.112 1.00 0.00 C ATOM 0 HA PRO A 30 2.379 -18.072 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.197 -18.411 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.178 -18.243 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.233 -20.747 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.358 -20.325 -2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.745 -21.999 -0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.564 -20.935 -1.971 1.00 0.00 H new ATOM 405 N HIS A 31 0.988 -17.800 2.229 1.00 0.00 N ATOM 406 CA HIS A 31 0.294 -17.615 3.490 1.00 0.00 C ATOM 407 C HIS A 31 -0.596 -16.382 3.394 1.00 0.00 C ATOM 408 O HIS A 31 -0.161 -15.339 2.903 1.00 0.00 O ATOM 409 CB HIS A 31 1.307 -17.457 4.632 1.00 0.00 C ATOM 410 CG HIS A 31 0.676 -17.266 5.979 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.608 -16.043 6.615 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.070 -18.151 6.806 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.018 -16.187 7.772 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.352 -17.455 7.908 1.00 0.00 N ATOM 0 H HIS A 31 1.533 -16.990 1.935 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.323 -18.489 3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.946 -18.339 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.951 -16.604 4.419 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.981 -15.166 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.057 -19.209 6.630 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.221 -15.400 8.483 1.00 0.00 H new ATOM 422 N ALA A 32 -1.833 -16.502 3.854 1.00 0.00 N ATOM 423 CA ALA A 32 -2.776 -15.396 3.804 1.00 0.00 C ATOM 424 C ALA A 32 -2.398 -14.303 4.796 1.00 0.00 C ATOM 425 O ALA A 32 -2.215 -14.562 5.986 1.00 0.00 O ATOM 426 CB ALA A 32 -4.189 -15.894 4.072 1.00 0.00 C ATOM 0 H ALA A 32 -2.207 -17.357 4.267 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.739 -14.966 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.884 -15.055 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.464 -16.631 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.232 -16.353 5.060 1.00 0.00 H new ATOM 432 N THR A 33 -2.274 -13.088 4.291 1.00 0.00 N ATOM 433 CA THR A 33 -1.924 -11.943 5.110 1.00 0.00 C ATOM 434 C THR A 33 -2.720 -10.728 4.655 1.00 0.00 C ATOM 435 O THR A 33 -3.242 -10.702 3.536 1.00 0.00 O ATOM 436 CB THR A 33 -0.407 -11.646 5.045 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.075 -10.523 5.871 1.00 0.00 O ATOM 438 CG2 THR A 33 0.029 -11.373 3.616 1.00 0.00 C ATOM 0 H THR A 33 -2.413 -12.869 3.305 1.00 0.00 H new ATOM 0 HA THR A 33 -2.172 -12.173 6.146 1.00 0.00 H new ATOM 0 HB THR A 33 0.120 -12.526 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.293 -10.840 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.099 -11.167 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.185 -12.245 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.514 -10.511 3.228 1.00 0.00 H new ATOM 446 N SER A 34 -2.828 -9.734 5.518 1.00 0.00 N ATOM 447 CA SER A 34 -3.575 -8.539 5.194 1.00 0.00 C ATOM 448 C SER A 34 -2.860 -7.300 5.694 1.00 0.00 C ATOM 449 O SER A 34 -2.221 -7.330 6.741 1.00 0.00 O ATOM 450 CB SER A 34 -4.964 -8.616 5.810 1.00 0.00 C ATOM 451 OG SER A 34 -4.895 -8.739 7.225 1.00 0.00 O ATOM 0 H SER A 34 -2.407 -9.733 6.447 1.00 0.00 H new ATOM 0 HA SER A 34 -3.660 -8.472 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.531 -7.723 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.502 -9.468 5.394 1.00 0.00 H new ATOM 0 HG SER A 34 -5.802 -8.785 7.594 1.00 0.00 H new ATOM 456 N ILE A 35 -2.975 -6.222 4.943 1.00 0.00 N ATOM 457 CA ILE A 35 -2.346 -4.968 5.308 1.00 0.00 C ATOM 458 C ILE A 35 -3.357 -3.830 5.195 1.00 0.00 C ATOM 459 O ILE A 35 -4.218 -3.843 4.317 1.00 0.00 O ATOM 460 CB ILE A 35 -1.124 -4.640 4.411 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.246 -5.874 4.177 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.293 -3.529 5.029 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.564 -6.611 2.889 1.00 0.00 C ATOM 0 H ILE A 35 -3.502 -6.190 4.070 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.996 -5.072 6.335 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.509 -4.309 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.800 -5.568 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.365 -6.559 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.560 -3.312 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.905 -2.633 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.063 -3.843 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.096 -7.473 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.600 -6.949 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.417 -5.942 2.041 1.00 0.00 H new ATOM 474 N ASN A 36 -3.255 -2.847 6.077 1.00 0.00 N ATOM 475 CA ASN A 36 -4.172 -1.715 6.059 1.00 0.00 C ATOM 476 C ASN A 36 -3.488 -0.499 5.436 1.00 0.00 C ATOM 477 O ASN A 36 -2.803 0.254 6.124 1.00 0.00 O ATOM 478 CB ASN A 36 -4.632 -1.383 7.483 1.00 0.00 C ATOM 479 CG ASN A 36 -6.004 -0.731 7.534 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.681 -0.773 8.558 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.449 -0.160 6.427 1.00 0.00 N ATOM 0 H ASN A 36 -2.549 -2.809 6.812 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.044 -1.979 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.650 -2.298 8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.904 -0.718 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.378 0.261 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.863 -0.141 5.592 1.00 0.00 H new ATOM 487 N LEU A 37 -3.705 -0.298 4.137 1.00 0.00 N ATOM 488 CA LEU A 37 -3.085 0.814 3.401 1.00 0.00 C ATOM 489 C LEU A 37 -3.443 2.164 4.013 1.00 0.00 C ATOM 490 O LEU A 37 -2.697 3.129 3.885 1.00 0.00 O ATOM 491 CB LEU A 37 -3.516 0.837 1.925 1.00 0.00 C ATOM 492 CG LEU A 37 -3.279 -0.431 1.099 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.949 -1.083 1.444 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.429 -1.404 1.278 1.00 0.00 C ATOM 0 H LEU A 37 -4.308 -0.891 3.566 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.010 0.649 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.581 1.068 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.995 1.660 1.435 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.233 -0.143 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.815 -1.979 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.138 -0.384 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.939 -1.354 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.244 -2.299 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.514 -1.677 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.357 -0.936 0.949 1.00 0.00 H new ATOM 505 N ASN A 38 -4.591 2.218 4.672 1.00 0.00 N ATOM 506 CA ASN A 38 -5.082 3.448 5.288 1.00 0.00 C ATOM 507 C ASN A 38 -4.070 4.054 6.257 1.00 0.00 C ATOM 508 O ASN A 38 -4.046 5.265 6.454 1.00 0.00 O ATOM 509 CB ASN A 38 -6.396 3.168 6.025 1.00 0.00 C ATOM 510 CG ASN A 38 -7.082 4.425 6.529 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.826 4.891 7.639 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.981 4.967 5.722 1.00 0.00 N ATOM 0 H ASN A 38 -5.208 1.416 4.796 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.245 4.171 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.073 2.636 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.197 2.508 6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.490 5.801 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.164 4.550 4.809 1.00 0.00 H new ATOM 518 N TYR A 39 -3.229 3.218 6.847 1.00 0.00 N ATOM 519 CA TYR A 39 -2.238 3.698 7.802 1.00 0.00 C ATOM 520 C TYR A 39 -0.837 3.730 7.199 1.00 0.00 C ATOM 521 O TYR A 39 0.138 3.977 7.911 1.00 0.00 O ATOM 522 CB TYR A 39 -2.234 2.814 9.053 1.00 0.00 C ATOM 523 CG TYR A 39 -3.515 2.877 9.857 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.729 3.895 10.778 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.506 1.916 9.702 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.893 3.954 11.519 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.673 1.967 10.442 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.862 2.988 11.349 1.00 0.00 C ATOM 529 OH TYR A 39 -7.022 3.042 12.092 1.00 0.00 O ATOM 0 H TYR A 39 -3.211 2.211 6.684 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.515 4.717 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.055 1.781 8.755 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.402 3.110 9.692 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.972 4.653 10.917 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.363 1.115 8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.044 4.754 12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.433 1.211 10.310 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.600 2.289 11.851 1.00 0.00 H new ATOM 538 N TYR A 40 -0.730 3.490 5.894 1.00 0.00 N ATOM 539 CA TYR A 40 0.581 3.478 5.246 1.00 0.00 C ATOM 540 C TYR A 40 0.648 4.375 4.013 1.00 0.00 C ATOM 541 O TYR A 40 1.733 4.785 3.614 1.00 0.00 O ATOM 542 CB TYR A 40 0.981 2.045 4.877 1.00 0.00 C ATOM 543 CG TYR A 40 0.950 1.094 6.054 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.675 1.360 7.211 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.175 -0.055 6.020 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.629 0.504 8.294 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.123 -0.913 7.099 1.00 0.00 C ATOM 548 CZ TYR A 40 0.848 -0.631 8.232 1.00 0.00 C ATOM 549 OH TYR A 40 0.787 -1.488 9.307 1.00 0.00 O ATOM 0 H TYR A 40 -1.518 3.304 5.274 1.00 0.00 H new ATOM 0 HA TYR A 40 1.288 3.883 5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.309 1.676 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.984 2.053 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.284 2.250 7.263 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.398 -0.282 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.201 0.722 9.184 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.486 -1.804 7.054 1.00 0.00 H new ATOM 0 HH TYR A 40 0.190 -2.236 9.096 1.00 0.00 H new ATOM 558 N ILE A 41 -0.496 4.682 3.415 1.00 0.00 N ATOM 559 CA ILE A 41 -0.543 5.533 2.227 1.00 0.00 C ATOM 560 C ILE A 41 -1.244 6.854 2.536 1.00 0.00 C ATOM 561 O ILE A 41 -2.227 6.882 3.282 1.00 0.00 O ATOM 562 CB ILE A 41 -1.275 4.835 1.060 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.384 3.789 0.388 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.760 5.846 0.032 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.269 2.499 1.158 1.00 0.00 C ATOM 0 H ILE A 41 -1.408 4.354 3.733 1.00 0.00 H new ATOM 0 HA ILE A 41 0.488 5.726 1.930 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.142 4.327 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.779 3.574 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.612 4.209 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.271 5.325 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.449 6.545 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.908 6.393 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.379 1.809 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.155 2.699 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.258 2.054 1.273 1.00 0.00 H new ATOM 576 N GLY A 42 -0.735 7.948 1.971 1.00 0.00 N ATOM 577 CA GLY A 42 -1.332 9.246 2.214 1.00 0.00 C ATOM 578 C GLY A 42 -1.856 9.911 0.958 1.00 0.00 C ATOM 579 O GLY A 42 -1.592 9.457 -0.157 1.00 0.00 O ATOM 0 H GLY A 42 0.076 7.956 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.150 9.134 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.592 9.897 2.679 1.00 0.00 H new ATOM 583 N ASN A 43 -2.589 10.997 1.149 1.00 0.00 N ATOM 584 CA ASN A 43 -3.181 11.747 0.043 1.00 0.00 C ATOM 585 C ASN A 43 -2.488 13.092 -0.135 1.00 0.00 C ATOM 586 O ASN A 43 -2.605 13.982 0.709 1.00 0.00 O ATOM 587 CB ASN A 43 -4.682 11.954 0.291 1.00 0.00 C ATOM 588 CG ASN A 43 -5.329 12.907 -0.704 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.892 13.035 -1.846 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.386 13.580 -0.271 1.00 0.00 N ATOM 0 H ASN A 43 -2.792 11.385 2.070 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.047 11.171 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.188 10.990 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.827 12.339 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.866 14.231 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.719 13.447 0.684 1.00 0.00 H new ATOM 596 N ASP A 44 -1.757 13.232 -1.230 1.00 0.00 N ATOM 597 CA ASP A 44 -1.048 14.467 -1.529 1.00 0.00 C ATOM 598 C ASP A 44 -1.675 15.180 -2.724 1.00 0.00 C ATOM 599 O ASP A 44 -1.543 14.731 -3.860 1.00 0.00 O ATOM 600 CB ASP A 44 0.429 14.177 -1.809 1.00 0.00 C ATOM 601 CG ASP A 44 1.195 15.405 -2.273 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.386 16.338 -1.463 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.617 15.439 -3.450 1.00 0.00 O ATOM 0 H ASP A 44 -1.639 12.500 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.124 15.120 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.895 13.785 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.504 13.400 -2.569 1.00 0.00 H new ATOM 607 N ASN A 45 -2.376 16.278 -2.451 1.00 0.00 N ATOM 608 CA ASN A 45 -3.026 17.086 -3.487 1.00 0.00 C ATOM 609 C ASN A 45 -3.908 16.229 -4.395 1.00 0.00 C ATOM 610 O ASN A 45 -3.909 16.393 -5.618 1.00 0.00 O ATOM 611 CB ASN A 45 -1.972 17.820 -4.323 1.00 0.00 C ATOM 612 CG ASN A 45 -2.407 19.213 -4.730 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.109 19.900 -3.987 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.999 19.642 -5.915 1.00 0.00 N ATOM 0 H ASN A 45 -2.511 16.635 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.665 17.815 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.045 17.886 -3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.755 17.237 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.266 20.571 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.418 19.043 -6.502 1.00 0.00 H new ATOM 620 N GLY A 46 -4.637 15.300 -3.796 1.00 0.00 N ATOM 621 CA GLY A 46 -5.522 14.443 -4.560 1.00 0.00 C ATOM 622 C GLY A 46 -4.801 13.297 -5.244 1.00 0.00 C ATOM 623 O GLY A 46 -5.342 12.673 -6.155 1.00 0.00 O ATOM 0 H GLY A 46 -4.632 15.123 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.287 14.038 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.036 15.041 -5.312 1.00 0.00 H new ATOM 627 N ARG A 47 -3.579 13.024 -4.812 1.00 0.00 N ATOM 628 CA ARG A 47 -2.780 11.951 -5.389 1.00 0.00 C ATOM 629 C ARG A 47 -2.333 10.973 -4.319 1.00 0.00 C ATOM 630 O ARG A 47 -2.191 11.332 -3.149 1.00 0.00 O ATOM 631 CB ARG A 47 -1.558 12.522 -6.102 1.00 0.00 C ATOM 632 CG ARG A 47 -1.593 12.363 -7.614 1.00 0.00 C ATOM 633 CD ARG A 47 -2.855 12.963 -8.218 1.00 0.00 C ATOM 634 NE ARG A 47 -3.001 14.377 -7.883 1.00 0.00 N ATOM 635 CZ ARG A 47 -2.871 15.370 -8.759 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.594 15.109 -10.033 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.022 16.623 -8.355 1.00 0.00 N ATOM 0 H ARG A 47 -3.116 13.534 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.402 11.421 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.471 13.581 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.664 12.033 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.717 12.844 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.536 11.305 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.829 12.848 -9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.725 12.413 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.216 14.619 -6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.480 14.144 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.495 15.874 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.237 16.821 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.924 17.389 -9.021 1.00 0.00 H new ATOM 648 N LEU A 48 -2.097 9.743 -4.731 1.00 0.00 N ATOM 649 CA LEU A 48 -1.662 8.697 -3.824 1.00 0.00 C ATOM 650 C LEU A 48 -0.166 8.797 -3.583 1.00 0.00 C ATOM 651 O LEU A 48 0.634 8.618 -4.504 1.00 0.00 O ATOM 652 CB LEU A 48 -2.003 7.329 -4.421 1.00 0.00 C ATOM 653 CG LEU A 48 -3.441 7.179 -4.898 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.697 5.773 -5.401 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.402 7.533 -3.783 1.00 0.00 C ATOM 0 H LEU A 48 -2.201 9.440 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.177 8.816 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.335 7.139 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.802 6.562 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.604 7.867 -5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.731 5.689 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.027 5.556 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.518 5.060 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.427 7.422 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.237 6.868 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.235 8.565 -3.473 1.00 0.00 H new ATOM 666 N GLU A 49 0.211 9.108 -2.354 1.00 0.00 N ATOM 667 CA GLU A 49 1.612 9.211 -2.002 1.00 0.00 C ATOM 668 C GLU A 49 2.011 8.020 -1.147 1.00 0.00 C ATOM 669 O GLU A 49 1.285 7.652 -0.218 1.00 0.00 O ATOM 670 CB GLU A 49 1.910 10.523 -1.269 1.00 0.00 C ATOM 671 CG GLU A 49 3.363 10.642 -0.840 1.00 0.00 C ATOM 672 CD GLU A 49 3.728 12.015 -0.315 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.638 12.990 -1.089 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.119 12.121 0.866 1.00 0.00 O ATOM 0 H GLU A 49 -0.435 9.293 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 49 2.199 9.209 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.658 11.362 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.269 10.596 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.567 9.900 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.005 10.404 -1.688 1.00 0.00 H new ATOM 679 N TYR A 50 3.143 7.415 -1.514 1.00 0.00 N ATOM 680 CA TYR A 50 3.713 6.258 -0.830 1.00 0.00 C ATOM 681 C TYR A 50 3.469 6.235 0.574 1.00 0.00 C ATOM 682 O TYR A 50 2.713 5.371 1.016 1.00 0.00 O ATOM 683 CB TYR A 50 5.205 6.055 -1.114 1.00 0.00 C ATOM 684 CG TYR A 50 5.879 7.159 -1.938 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.454 7.463 -3.229 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.940 7.897 -1.418 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.051 8.466 -3.968 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.545 8.900 -2.156 1.00 0.00 C ATOM 689 CZ TYR A 50 7.096 9.182 -3.429 1.00 0.00 C ATOM 690 OH TYR A 50 7.683 10.193 -4.160 1.00 0.00 O ATOM 0 H TYR A 50 3.698 7.724 -2.312 1.00 0.00 H new ATOM 0 HA TYR A 50 3.174 5.416 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.729 5.966 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.331 5.107 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.639 6.902 -3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.297 7.683 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.699 8.688 -4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.367 9.460 -1.736 1.00 0.00 H new ATOM 0 HH TYR A 50 8.404 10.599 -3.636 1.00 0.00 H new ATOM 699 N PRO A 51 4.031 7.064 1.361 1.00 0.00 N ATOM 700 CA PRO A 51 3.732 6.874 2.657 1.00 0.00 C ATOM 701 C PRO A 51 2.836 7.946 3.207 1.00 0.00 C ATOM 702 O PRO A 51 3.028 9.142 2.987 1.00 0.00 O ATOM 703 CB PRO A 51 5.099 6.859 3.214 1.00 0.00 C ATOM 704 CG PRO A 51 5.764 8.010 2.511 1.00 0.00 C ATOM 705 CD PRO A 51 5.051 8.101 1.178 1.00 0.00 C ATOM 0 HA PRO A 51 3.150 5.982 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.096 6.994 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.606 5.916 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.663 8.935 3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.831 7.832 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.617 9.086 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.712 7.891 0.337 1.00 0.00 H new ATOM 710 N GLY A 52 1.847 7.508 3.897 1.00 0.00 N ATOM 711 CA GLY A 52 0.910 8.430 4.446 1.00 0.00 C ATOM 712 C GLY A 52 -0.032 7.811 5.447 1.00 0.00 C ATOM 713 O GLY A 52 0.209 6.712 5.940 1.00 0.00 O ATOM 0 H GLY A 52 1.662 6.525 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.453 9.244 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.328 8.869 3.636 1.00 0.00 H new ATOM 717 N GLU A 53 -1.121 8.519 5.713 1.00 0.00 N ATOM 718 CA GLU A 53 -2.131 8.077 6.665 1.00 0.00 C ATOM 719 C GLU A 53 -3.486 8.690 6.324 1.00 0.00 C ATOM 720 O GLU A 53 -3.556 9.817 5.832 1.00 0.00 O ATOM 721 CB GLU A 53 -1.751 8.470 8.102 1.00 0.00 C ATOM 722 CG GLU A 53 -0.538 7.736 8.653 1.00 0.00 C ATOM 723 CD GLU A 53 -0.137 8.214 10.034 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.427 9.326 10.142 1.00 0.00 O ATOM 725 OE2 GLU A 53 -0.384 7.480 11.017 1.00 0.00 O ATOM 0 H GLU A 53 -1.329 9.416 5.275 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.190 6.991 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.557 9.542 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.603 8.281 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.752 6.668 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.301 7.868 7.970 1.00 0.00 H new ATOM 730 N SER A 54 -4.545 7.927 6.585 1.00 0.00 N ATOM 731 CA SER A 54 -5.921 8.354 6.354 1.00 0.00 C ATOM 732 C SER A 54 -6.167 8.848 4.924 1.00 0.00 C ATOM 733 O SER A 54 -6.860 9.844 4.719 1.00 0.00 O ATOM 734 CB SER A 54 -6.290 9.444 7.359 1.00 0.00 C ATOM 735 OG SER A 54 -5.990 9.038 8.686 1.00 0.00 O ATOM 0 H SER A 54 -4.470 6.984 6.967 1.00 0.00 H new ATOM 0 HA SER A 54 -6.557 7.480 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.747 10.359 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.352 9.674 7.277 1.00 0.00 H new ATOM 0 HG SER A 54 -6.234 9.753 9.310 1.00 0.00 H new ATOM 740 N PHE A 55 -5.615 8.155 3.930 1.00 0.00 N ATOM 741 CA PHE A 55 -5.818 8.559 2.542 1.00 0.00 C ATOM 742 C PHE A 55 -7.255 8.257 2.110 1.00 0.00 C ATOM 743 O PHE A 55 -7.872 9.034 1.388 1.00 0.00 O ATOM 744 CB PHE A 55 -4.822 7.859 1.601 1.00 0.00 C ATOM 745 CG PHE A 55 -5.183 6.438 1.263 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.948 5.413 2.161 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.769 6.135 0.042 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.290 4.112 1.850 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.114 4.834 -0.271 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.873 3.822 0.635 1.00 0.00 C ATOM 0 H PHE A 55 -5.034 7.326 4.056 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.642 9.633 2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.749 8.432 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.835 7.871 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.492 5.632 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.957 6.924 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.100 3.320 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.572 4.610 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.141 2.804 0.393 1.00 0.00 H new ATOM 759 N GLY A 56 -7.801 7.149 2.619 1.00 0.00 N ATOM 760 CA GLY A 56 -9.152 6.733 2.265 1.00 0.00 C ATOM 761 C GLY A 56 -10.190 7.747 2.681 1.00 0.00 C ATOM 762 O GLY A 56 -11.313 7.743 2.182 1.00 0.00 O ATOM 0 H GLY A 56 -7.326 6.529 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.211 6.576 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.371 5.776 2.739 1.00 0.00 H new ATOM 766 N SER A 57 -9.802 8.614 3.599 1.00 0.00 N ATOM 767 CA SER A 57 -10.672 9.660 4.099 1.00 0.00 C ATOM 768 C SER A 57 -11.055 10.637 2.987 1.00 0.00 C ATOM 769 O SER A 57 -12.093 11.295 3.060 1.00 0.00 O ATOM 770 CB SER A 57 -9.963 10.393 5.233 1.00 0.00 C ATOM 771 OG SER A 57 -9.758 9.534 6.342 1.00 0.00 O ATOM 0 H SER A 57 -8.872 8.611 4.019 1.00 0.00 H new ATOM 0 HA SER A 57 -11.593 9.210 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.004 10.774 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.555 11.255 5.540 1.00 0.00 H new ATOM 0 HG SER A 57 -9.605 10.071 7.148 1.00 0.00 H new ATOM 776 N SER A 58 -10.224 10.723 1.955 1.00 0.00 N ATOM 777 CA SER A 58 -10.490 11.623 0.843 1.00 0.00 C ATOM 778 C SER A 58 -10.214 10.939 -0.497 1.00 0.00 C ATOM 779 O SER A 58 -9.988 11.610 -1.507 1.00 0.00 O ATOM 780 CB SER A 58 -9.623 12.877 0.972 1.00 0.00 C ATOM 781 OG SER A 58 -9.650 13.385 2.298 1.00 0.00 O ATOM 0 H SER A 58 -9.364 10.182 1.866 1.00 0.00 H new ATOM 0 HA SER A 58 -11.543 11.902 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.596 12.643 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.978 13.641 0.280 1.00 0.00 H new ATOM 0 HG SER A 58 -9.087 14.185 2.353 1.00 0.00 H new ATOM 786 N CYS A 59 -10.237 9.611 -0.504 1.00 0.00 N ATOM 787 CA CYS A 59 -9.978 8.851 -1.718 1.00 0.00 C ATOM 788 C CYS A 59 -11.098 7.852 -2.002 1.00 0.00 C ATOM 789 O CYS A 59 -11.731 7.325 -1.083 1.00 0.00 O ATOM 790 CB CYS A 59 -8.646 8.110 -1.610 1.00 0.00 C ATOM 791 SG CYS A 59 -7.196 9.196 -1.428 1.00 0.00 S ATOM 0 H CYS A 59 -10.432 9.040 0.318 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.933 9.560 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.688 7.434 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.514 7.493 -2.499 1.00 0.00 H new ATOM 795 N VAL A 60 -11.329 7.605 -3.285 1.00 0.00 N ATOM 796 CA VAL A 60 -12.359 6.676 -3.740 1.00 0.00 C ATOM 797 C VAL A 60 -11.838 5.822 -4.896 1.00 0.00 C ATOM 798 O VAL A 60 -10.736 6.060 -5.394 1.00 0.00 O ATOM 799 CB VAL A 60 -13.636 7.414 -4.202 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.307 8.122 -3.036 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.314 8.406 -5.309 1.00 0.00 C ATOM 0 H VAL A 60 -10.806 8.044 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.611 6.041 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.329 6.670 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.203 8.634 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.582 7.391 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.618 8.850 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.227 8.914 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.597 9.140 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.887 7.875 -6.160 1.00 0.00 H new ATOM 811 N LYS A 61 -12.641 4.842 -5.319 1.00 0.00 N ATOM 812 CA LYS A 61 -12.278 3.932 -6.409 1.00 0.00 C ATOM 813 C LYS A 61 -10.993 3.171 -6.102 1.00 0.00 C ATOM 814 O LYS A 61 -10.151 2.986 -6.978 1.00 0.00 O ATOM 815 CB LYS A 61 -12.134 4.663 -7.751 1.00 0.00 C ATOM 816 CG LYS A 61 -13.458 4.967 -8.435 1.00 0.00 C ATOM 817 CD LYS A 61 -13.870 6.417 -8.257 1.00 0.00 C ATOM 818 CE LYS A 61 -12.895 7.364 -8.940 1.00 0.00 C ATOM 819 NZ LYS A 61 -12.893 7.212 -10.419 1.00 0.00 N ATOM 0 H LYS A 61 -13.560 4.657 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.099 3.220 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.598 5.598 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.522 4.057 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.377 4.741 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.233 4.317 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.869 6.565 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.923 6.653 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.153 8.392 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.890 7.183 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.933 6.975 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.548 6.451 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.197 8.104 -10.860 1.00 0.00 H new ATOM 829 N THR A 62 -10.846 2.742 -4.856 1.00 0.00 N ATOM 830 CA THR A 62 -9.662 1.996 -4.439 1.00 0.00 C ATOM 831 C THR A 62 -9.578 0.628 -5.128 1.00 0.00 C ATOM 832 O THR A 62 -10.454 -0.223 -4.962 1.00 0.00 O ATOM 833 CB THR A 62 -9.639 1.796 -2.911 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.948 1.448 -2.440 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.154 3.045 -2.196 1.00 0.00 C ATOM 0 H THR A 62 -11.530 2.897 -4.115 1.00 0.00 H new ATOM 0 HA THR A 62 -8.799 2.591 -4.738 1.00 0.00 H new ATOM 0 HB THR A 62 -8.944 0.986 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.009 1.629 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.150 2.870 -1.120 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.144 3.286 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.819 3.877 -2.426 1.00 0.00 H new ATOM 843 N ALA A 63 -8.517 0.425 -5.898 1.00 0.00 N ATOM 844 CA ALA A 63 -8.306 -0.828 -6.610 1.00 0.00 C ATOM 845 C ALA A 63 -6.816 -1.106 -6.749 1.00 0.00 C ATOM 846 O ALA A 63 -6.017 -0.176 -6.815 1.00 0.00 O ATOM 847 CB ALA A 63 -8.965 -0.781 -7.982 1.00 0.00 C ATOM 0 H ALA A 63 -7.784 1.118 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.763 -1.635 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.797 -1.726 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.036 -0.617 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.534 0.033 -8.565 1.00 0.00 H new ATOM 853 N LEU A 64 -6.444 -2.374 -6.780 1.00 0.00 N ATOM 854 CA LEU A 64 -5.044 -2.756 -6.903 1.00 0.00 C ATOM 855 C LEU A 64 -4.764 -3.348 -8.281 1.00 0.00 C ATOM 856 O LEU A 64 -5.281 -4.410 -8.627 1.00 0.00 O ATOM 857 CB LEU A 64 -4.685 -3.763 -5.806 1.00 0.00 C ATOM 858 CG LEU A 64 -3.523 -3.353 -4.896 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.208 -3.401 -5.647 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.755 -1.961 -4.332 1.00 0.00 C ATOM 0 H LEU A 64 -7.092 -3.160 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.426 -1.866 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.567 -3.932 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.438 -4.715 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.473 -4.062 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.397 -3.106 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.031 -4.415 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.248 -2.717 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.920 -1.686 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.833 -1.245 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.678 -1.952 -3.753 1.00 0.00 H new ATOM 871 N ASN A 65 -3.940 -2.667 -9.066 1.00 0.00 N ATOM 872 CA ASN A 65 -3.607 -3.142 -10.404 1.00 0.00 C ATOM 873 C ASN A 65 -2.402 -4.062 -10.369 1.00 0.00 C ATOM 874 O ASN A 65 -1.349 -3.705 -9.826 1.00 0.00 O ATOM 875 CB ASN A 65 -3.358 -1.978 -11.362 1.00 0.00 C ATOM 876 CG ASN A 65 -4.629 -1.504 -12.045 1.00 0.00 C ATOM 877 OD1 ASN A 65 -5.020 -2.029 -13.087 1.00 0.00 O ATOM 878 ND2 ASN A 65 -5.284 -0.506 -11.473 1.00 0.00 N ATOM 0 H ASN A 65 -3.492 -1.789 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.463 -3.707 -10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.914 -1.148 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.635 -2.283 -12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.141 -0.149 -11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.932 -0.094 -10.609 1.00 0.00 H new ATOM 884 N ASP A 66 -2.592 -5.269 -10.912 1.00 0.00 N ATOM 885 CA ASP A 66 -1.550 -6.295 -10.981 1.00 0.00 C ATOM 886 C ASP A 66 -1.036 -6.634 -9.583 1.00 0.00 C ATOM 887 O ASP A 66 0.052 -7.181 -9.411 1.00 0.00 O ATOM 888 CB ASP A 66 -0.415 -5.838 -11.904 1.00 0.00 C ATOM 889 CG ASP A 66 0.522 -6.971 -12.295 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.117 -7.835 -13.100 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.675 -6.990 -11.815 1.00 0.00 O ATOM 0 H ASP A 66 -3.480 -5.562 -11.319 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.978 -7.205 -11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.841 -5.398 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.158 -5.055 -11.407 1.00 0.00 H new ATOM 895 N GLY A 67 -1.844 -6.297 -8.585 1.00 0.00 N ATOM 896 CA GLY A 67 -1.499 -6.561 -7.206 1.00 0.00 C ATOM 897 C GLY A 67 -0.200 -5.917 -6.763 1.00 0.00 C ATOM 898 O GLY A 67 0.482 -6.451 -5.896 1.00 0.00 O ATOM 0 H GLY A 67 -2.746 -5.838 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.306 -6.206 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.427 -7.639 -7.060 1.00 0.00 H new ATOM 902 N HIS A 68 0.140 -4.763 -7.331 1.00 0.00 N ATOM 903 CA HIS A 68 1.381 -4.090 -6.957 1.00 0.00 C ATOM 904 C HIS A 68 1.178 -2.583 -6.848 1.00 0.00 C ATOM 905 O HIS A 68 1.810 -1.920 -6.032 1.00 0.00 O ATOM 906 CB HIS A 68 2.511 -4.410 -7.954 1.00 0.00 C ATOM 907 CG HIS A 68 2.456 -3.652 -9.254 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.268 -2.570 -9.528 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.704 -3.839 -10.362 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.019 -2.130 -10.746 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.073 -2.882 -11.273 1.00 0.00 N ATOM 0 H HIS A 68 -0.414 -4.281 -8.039 1.00 0.00 H new ATOM 0 HA HIS A 68 1.675 -4.467 -5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.467 -4.204 -7.473 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.488 -5.477 -8.174 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.955 -2.172 -8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.952 -4.601 -10.504 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.507 -1.296 -11.229 1.00 0.00 H new ATOM 919 N THR A 69 0.288 -2.047 -7.665 1.00 0.00 N ATOM 920 CA THR A 69 0.023 -0.625 -7.664 1.00 0.00 C ATOM 921 C THR A 69 -1.405 -0.318 -7.238 1.00 0.00 C ATOM 922 O THR A 69 -2.360 -0.925 -7.721 1.00 0.00 O ATOM 923 CB THR A 69 0.298 -0.030 -9.057 1.00 0.00 C ATOM 924 OG1 THR A 69 1.707 0.181 -9.231 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.460 1.272 -9.278 1.00 0.00 C ATOM 0 H THR A 69 -0.263 -2.580 -8.338 1.00 0.00 H new ATOM 0 HA THR A 69 0.693 -0.166 -6.937 1.00 0.00 H new ATOM 0 HB THR A 69 -0.057 -0.745 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.874 0.558 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.238 1.658 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.531 1.089 -9.191 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.155 2.002 -8.529 1.00 0.00 H new ATOM 933 N LEU A 70 -1.530 0.623 -6.322 1.00 0.00 N ATOM 934 CA LEU A 70 -2.826 1.056 -5.832 1.00 0.00 C ATOM 935 C LEU A 70 -3.336 2.201 -6.685 1.00 0.00 C ATOM 936 O LEU A 70 -2.615 3.147 -6.961 1.00 0.00 O ATOM 937 CB LEU A 70 -2.724 1.484 -4.361 1.00 0.00 C ATOM 938 CG LEU A 70 -3.798 2.462 -3.859 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.186 1.850 -3.933 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.490 2.895 -2.435 1.00 0.00 C ATOM 0 H LEU A 70 -0.739 1.108 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.529 0.226 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.761 0.588 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.746 1.940 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.784 3.336 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.921 2.569 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.414 1.589 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.221 0.953 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.258 3.588 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.472 2.021 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.518 3.388 -2.407 1.00 0.00 H new ATOM 951 N THR A 71 -4.566 2.092 -7.122 1.00 0.00 N ATOM 952 CA THR A 71 -5.181 3.117 -7.934 1.00 0.00 C ATOM 953 C THR A 71 -6.419 3.656 -7.240 1.00 0.00 C ATOM 954 O THR A 71 -7.269 2.888 -6.788 1.00 0.00 O ATOM 955 CB THR A 71 -5.553 2.567 -9.322 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.646 1.136 -9.265 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.522 2.976 -10.362 1.00 0.00 C ATOM 0 H THR A 71 -5.169 1.293 -6.927 1.00 0.00 H new ATOM 0 HA THR A 71 -4.463 3.926 -8.067 1.00 0.00 H new ATOM 0 HB THR A 71 -6.517 2.985 -9.613 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.493 0.847 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.807 2.575 -11.335 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.473 4.063 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.545 2.583 -10.080 1.00 0.00 H new ATOM 965 N ALA A 72 -6.499 4.972 -7.129 1.00 0.00 N ATOM 966 CA ALA A 72 -7.635 5.613 -6.487 1.00 0.00 C ATOM 967 C ALA A 72 -7.733 7.078 -6.888 1.00 0.00 C ATOM 968 O ALA A 72 -6.786 7.652 -7.424 1.00 0.00 O ATOM 969 CB ALA A 72 -7.533 5.484 -4.973 1.00 0.00 C ATOM 0 H ALA A 72 -5.790 5.618 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.541 5.108 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.391 5.969 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.519 4.429 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.616 5.961 -4.628 1.00 0.00 H new ATOM 975 N SER A 73 -8.884 7.668 -6.631 1.00 0.00 N ATOM 976 CA SER A 73 -9.131 9.063 -6.948 1.00 0.00 C ATOM 977 C SER A 73 -9.256 9.839 -5.647 1.00 0.00 C ATOM 978 O SER A 73 -10.080 9.495 -4.799 1.00 0.00 O ATOM 979 CB SER A 73 -10.413 9.185 -7.768 1.00 0.00 C ATOM 980 OG SER A 73 -10.513 10.444 -8.404 1.00 0.00 O ATOM 0 H SER A 73 -9.676 7.194 -6.196 1.00 0.00 H new ATOM 0 HA SER A 73 -8.308 9.469 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.440 8.395 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.275 9.037 -7.118 1.00 0.00 H new ATOM 0 HG SER A 73 -11.399 10.827 -8.234 1.00 0.00 H new ATOM 985 N CYS A 74 -8.451 10.873 -5.482 1.00 0.00 N ATOM 986 CA CYS A 74 -8.473 11.642 -4.248 1.00 0.00 C ATOM 987 C CYS A 74 -8.669 13.128 -4.505 1.00 0.00 C ATOM 988 O CYS A 74 -8.279 13.654 -5.547 1.00 0.00 O ATOM 989 CB CYS A 74 -7.170 11.419 -3.489 1.00 0.00 C ATOM 990 SG CYS A 74 -6.708 9.669 -3.335 1.00 0.00 S ATOM 0 H CYS A 74 -7.780 11.198 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.320 11.297 -3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.368 11.955 -3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.261 11.851 -2.492 1.00 0.00 H new ATOM 994 N LYS A 75 -9.296 13.793 -3.547 1.00 0.00 N ATOM 995 CA LYS A 75 -9.551 15.222 -3.629 1.00 0.00 C ATOM 996 C LYS A 75 -8.512 15.996 -2.820 1.00 0.00 C ATOM 997 O LYS A 75 -8.028 15.508 -1.798 1.00 0.00 O ATOM 998 CB LYS A 75 -10.975 15.520 -3.131 1.00 0.00 C ATOM 999 CG LYS A 75 -11.275 16.998 -2.923 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.021 17.421 -1.482 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.918 18.927 -1.354 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.808 19.365 0.062 1.00 0.00 N ATOM 0 H LYS A 75 -9.642 13.358 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.471 15.544 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.689 15.115 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.135 14.994 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.655 17.594 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.314 17.200 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.828 17.055 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.100 16.961 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.048 19.278 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.794 19.389 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.740 20.402 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.649 19.054 0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.958 18.946 0.490 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.158 17.192 -3.282 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.196 18.001 -2.556 1.00 0.00 C ATOM 1014 C GLY A 76 -6.460 18.986 -3.437 1.00 0.00 C ATOM 1015 O GLY A 76 -6.060 20.053 -2.980 1.00 0.00 O ATOM 0 H GLY A 76 -8.517 17.612 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.712 18.546 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.472 17.346 -2.071 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.271 18.615 -4.695 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.579 19.465 -5.656 1.00 0.00 C ATOM 1021 C ALA A 77 -6.230 20.840 -5.772 1.00 0.00 C ATOM 1022 O ALA A 77 -5.537 21.855 -5.815 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.523 18.781 -7.012 1.00 0.00 C ATOM 0 H ALA A 77 -6.589 17.724 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.563 19.620 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.004 19.424 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.988 17.836 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.536 18.592 -7.366 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.555 20.867 -5.803 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.295 22.125 -5.920 1.00 0.00 C ATOM 1031 C ASP A 78 -9.781 21.888 -5.682 1.00 0.00 C ATOM 1032 O ASP A 78 -10.620 22.197 -6.521 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.075 22.771 -7.299 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.719 24.143 -7.407 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.432 25.006 -6.551 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.525 24.359 -8.339 1.00 0.00 O ATOM 0 H ASP A 78 -8.143 20.035 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.919 22.810 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.005 22.859 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.483 22.119 -8.071 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.100 21.292 -4.539 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.490 21.013 -4.201 1.00 0.00 C ATOM 1042 C GLY A 79 -12.106 19.967 -5.105 1.00 0.00 C ATOM 1043 O GLY A 79 -13.293 19.655 -5.001 1.00 0.00 O ATOM 0 H GLY A 79 -9.422 20.995 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.548 20.675 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.069 21.934 -4.268 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.286 19.434 -5.988 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.699 18.424 -6.936 1.00 0.00 C ATOM 1049 C GLN A 80 -10.832 17.193 -6.760 1.00 0.00 C ATOM 1050 O GLN A 80 -9.747 17.269 -6.170 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.562 18.969 -8.360 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.149 19.416 -8.702 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.062 20.111 -10.044 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.016 20.746 -10.489 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -8.914 20.004 -10.698 1.00 0.00 N ATOM 0 H GLN A 80 -10.303 19.694 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.741 18.157 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.873 18.200 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.242 19.811 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.788 20.090 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.489 18.549 -8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.146 19.468 -10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.799 20.458 -11.604 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.307 16.064 -7.251 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.561 14.827 -7.139 1.00 0.00 C ATOM 1064 C TYR A 81 -9.876 14.492 -8.457 1.00 0.00 C ATOM 1065 O TYR A 81 -10.134 15.127 -9.484 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.471 13.672 -6.695 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.647 13.408 -7.611 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.462 12.833 -8.861 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.939 13.722 -7.219 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.527 12.583 -9.697 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.014 13.475 -8.047 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.803 12.905 -9.286 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.873 12.652 -10.113 1.00 0.00 O ATOM 0 H TYR A 81 -12.204 15.979 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.794 14.965 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.873 12.763 -6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.847 13.887 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.464 12.577 -9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.107 14.167 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.364 12.138 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.015 13.726 -7.728 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.701 12.937 -9.673 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.003 13.503 -8.419 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.284 13.067 -9.600 1.00 0.00 C ATOM 1084 C HIS A 82 -7.807 11.642 -9.396 1.00 0.00 C ATOM 1085 O HIS A 82 -7.349 11.279 -8.311 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.093 13.988 -9.876 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.529 13.851 -11.257 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.997 14.575 -12.331 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -5.527 13.079 -11.734 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.308 14.253 -13.409 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -5.410 13.350 -13.073 1.00 0.00 N ATOM 0 H HIS A 82 -8.773 12.982 -7.573 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.952 13.109 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.402 15.022 -9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.307 13.778 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.930 12.380 -11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.455 14.660 -14.398 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.736 12.921 -13.707 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.921 10.839 -10.433 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.510 9.445 -10.362 1.00 0.00 C ATOM 1101 C ASP A 83 -6.007 9.326 -10.514 1.00 0.00 C ATOM 1102 O ASP A 83 -5.435 9.761 -11.512 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.222 8.607 -11.428 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.647 8.247 -11.042 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.530 9.127 -11.093 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -9.896 7.074 -10.694 1.00 0.00 O ATOM 0 H ASP A 83 -8.295 11.124 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.793 9.060 -9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.234 9.158 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.656 7.692 -11.602 1.00 0.00 H new ATOM 1110 N SER A 84 -5.373 8.753 -9.510 1.00 0.00 N ATOM 1111 CA SER A 84 -3.936 8.573 -9.513 1.00 0.00 C ATOM 1112 C SER A 84 -3.585 7.154 -9.094 1.00 0.00 C ATOM 1113 O SER A 84 -4.472 6.340 -8.822 1.00 0.00 O ATOM 1114 CB SER A 84 -3.283 9.577 -8.569 1.00 0.00 C ATOM 1115 OG SER A 84 -3.846 9.509 -7.269 1.00 0.00 O ATOM 0 H SER A 84 -5.838 8.401 -8.673 1.00 0.00 H new ATOM 0 HA SER A 84 -3.561 8.742 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.212 9.383 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.404 10.584 -8.967 1.00 0.00 H new ATOM 0 HG SER A 84 -4.632 10.092 -7.222 1.00 0.00 H new ATOM 1120 N SER A 85 -2.300 6.850 -9.049 1.00 0.00 N ATOM 1121 CA SER A 85 -1.859 5.526 -8.662 1.00 0.00 C ATOM 1122 C SER A 85 -0.663 5.611 -7.726 1.00 0.00 C ATOM 1123 O SER A 85 -0.029 6.658 -7.600 1.00 0.00 O ATOM 1124 CB SER A 85 -1.506 4.695 -9.888 1.00 0.00 C ATOM 1125 OG SER A 85 -2.123 5.220 -11.055 1.00 0.00 O ATOM 0 H SER A 85 -1.548 7.501 -9.275 1.00 0.00 H new ATOM 0 HA SER A 85 -2.680 5.038 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.424 4.678 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.825 3.664 -9.737 1.00 0.00 H new ATOM 0 HG SER A 85 -1.880 4.670 -11.829 1.00 0.00 H new ATOM 1130 N MET A 86 -0.378 4.511 -7.066 1.00 0.00 N ATOM 1131 CA MET A 86 0.721 4.435 -6.130 1.00 0.00 C ATOM 1132 C MET A 86 1.340 3.047 -6.168 1.00 0.00 C ATOM 1133 O MET A 86 0.692 2.071 -5.800 1.00 0.00 O ATOM 1134 CB MET A 86 0.202 4.739 -4.725 1.00 0.00 C ATOM 1135 CG MET A 86 1.271 4.676 -3.654 1.00 0.00 C ATOM 1136 SD MET A 86 2.651 5.763 -4.030 1.00 0.00 S ATOM 1137 CE MET A 86 3.993 4.586 -4.023 1.00 0.00 C ATOM 0 H MET A 86 -0.903 3.642 -7.163 1.00 0.00 H new ATOM 0 HA MET A 86 1.484 5.164 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.247 5.732 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.589 4.031 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.840 4.954 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.630 3.651 -3.558 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.871 5.037 -3.560 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.699 3.702 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.230 4.299 -5.047 1.00 0.00 H new ATOM 1145 N ASP A 87 2.581 2.943 -6.624 1.00 0.00 N ATOM 1146 CA ASP A 87 3.234 1.643 -6.677 1.00 0.00 C ATOM 1147 C ASP A 87 3.637 1.218 -5.273 1.00 0.00 C ATOM 1148 O ASP A 87 4.606 1.719 -4.707 1.00 0.00 O ATOM 1149 CB ASP A 87 4.455 1.656 -7.592 1.00 0.00 C ATOM 1150 CG ASP A 87 4.981 0.254 -7.842 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.175 -0.702 -7.790 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.193 0.101 -8.098 1.00 0.00 O ATOM 0 H ASP A 87 3.145 3.725 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 87 2.524 0.927 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.193 2.122 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.240 2.265 -7.144 1.00 0.00 H new ATOM 1156 N LEU A 88 2.900 0.270 -4.731 1.00 0.00 N ATOM 1157 CA LEU A 88 3.135 -0.216 -3.384 1.00 0.00 C ATOM 1158 C LEU A 88 4.351 -1.126 -3.346 1.00 0.00 C ATOM 1159 O LEU A 88 4.797 -1.527 -2.270 1.00 0.00 O ATOM 1160 CB LEU A 88 1.910 -0.969 -2.873 1.00 0.00 C ATOM 1161 CG LEU A 88 0.557 -0.328 -3.180 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.565 -1.179 -2.608 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.494 1.085 -2.620 1.00 0.00 C ATOM 0 H LEU A 88 2.123 -0.185 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 88 3.321 0.643 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.920 -1.972 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.001 -1.081 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 88 0.436 -0.270 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.525 -0.714 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.531 -2.173 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.445 -1.261 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.477 1.524 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.633 1.055 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.281 1.690 -3.070 1.00 0.00 H new ATOM 1174 N ASN A 89 4.868 -1.473 -4.522 1.00 0.00 N ATOM 1175 CA ASN A 89 6.053 -2.330 -4.619 1.00 0.00 C ATOM 1176 C ASN A 89 7.191 -1.816 -3.742 1.00 0.00 C ATOM 1177 O ASN A 89 8.031 -2.594 -3.291 1.00 0.00 O ATOM 1178 CB ASN A 89 6.539 -2.447 -6.070 1.00 0.00 C ATOM 1179 CG ASN A 89 5.855 -3.552 -6.856 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.632 -3.422 -8.057 1.00 0.00 O ATOM 1181 ND2 ASN A 89 5.541 -4.662 -6.200 1.00 0.00 N ATOM 0 H ASN A 89 4.488 -1.176 -5.421 1.00 0.00 H new ATOM 0 HA ASN A 89 5.757 -3.317 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.373 -1.496 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.614 -2.625 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.101 -5.439 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.740 -4.738 -5.202 1.00 0.00 H new ATOM 1187 N TYR A 90 7.208 -0.516 -3.472 1.00 0.00 N ATOM 1188 CA TYR A 90 8.252 0.050 -2.643 1.00 0.00 C ATOM 1189 C TYR A 90 7.675 0.698 -1.391 1.00 0.00 C ATOM 1190 O TYR A 90 8.303 1.569 -0.787 1.00 0.00 O ATOM 1191 CB TYR A 90 9.136 1.027 -3.436 1.00 0.00 C ATOM 1192 CG TYR A 90 8.420 2.202 -4.068 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.876 2.110 -5.345 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.321 3.415 -3.400 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.251 3.190 -5.934 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.703 4.501 -3.985 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.168 4.383 -5.251 1.00 0.00 C ATOM 1198 OH TYR A 90 6.562 5.468 -5.839 1.00 0.00 O ATOM 0 H TYR A 90 6.518 0.154 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 90 8.894 -0.769 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.907 1.412 -2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.644 0.470 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.944 1.177 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.734 3.510 -2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.830 3.100 -6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.638 5.439 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 90 6.282 6.102 -5.146 1.00 0.00 H new ATOM 1207 N VAL A 91 6.470 0.280 -1.006 1.00 0.00 N ATOM 1208 CA VAL A 91 5.841 0.804 0.203 1.00 0.00 C ATOM 1209 C VAL A 91 5.393 -0.344 1.119 1.00 0.00 C ATOM 1210 O VAL A 91 5.104 -0.135 2.300 1.00 0.00 O ATOM 1211 CB VAL A 91 4.673 1.782 -0.090 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.012 2.701 -1.232 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.361 1.093 -0.360 1.00 0.00 C ATOM 0 H VAL A 91 5.915 -0.413 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 91 6.599 1.392 0.722 1.00 0.00 H new ATOM 0 HB VAL A 91 4.542 2.363 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.176 3.376 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.899 3.282 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.207 2.112 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.592 1.840 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.464 0.441 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.077 0.499 0.508 1.00 0.00 H new ATOM 1223 N VAL A 92 5.353 -1.558 0.558 1.00 0.00 N ATOM 1224 CA VAL A 92 4.995 -2.765 1.308 1.00 0.00 C ATOM 1225 C VAL A 92 5.900 -3.920 0.896 1.00 0.00 C ATOM 1226 O VAL A 92 6.300 -4.026 -0.268 1.00 0.00 O ATOM 1227 CB VAL A 92 3.531 -3.224 1.105 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.803 -3.301 2.437 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.785 -2.330 0.136 1.00 0.00 C ATOM 0 H VAL A 92 5.567 -1.730 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 92 5.119 -2.500 2.358 1.00 0.00 H new ATOM 0 HB VAL A 92 3.561 -4.221 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.776 -3.625 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.309 -4.015 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.802 -2.318 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.762 -2.689 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.771 -1.310 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.284 -2.347 -0.833 1.00 0.00 H new ATOM 1239 N GLY A 93 6.219 -4.779 1.850 1.00 0.00 N ATOM 1240 CA GLY A 93 7.066 -5.919 1.584 1.00 0.00 C ATOM 1241 C GLY A 93 6.511 -7.188 2.192 1.00 0.00 C ATOM 1242 O GLY A 93 5.459 -7.168 2.839 1.00 0.00 O ATOM 0 H GLY A 93 5.901 -4.704 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.172 -6.049 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.063 -5.731 1.982 1.00 0.00 H new ATOM 1246 N ASN A 94 7.220 -8.289 2.000 1.00 0.00 N ATOM 1247 CA ASN A 94 6.791 -9.578 2.523 1.00 0.00 C ATOM 1248 C ASN A 94 7.933 -10.280 3.241 1.00 0.00 C ATOM 1249 O ASN A 94 9.026 -10.425 2.692 1.00 0.00 O ATOM 1250 CB ASN A 94 6.277 -10.464 1.385 1.00 0.00 C ATOM 1251 CG ASN A 94 5.962 -11.879 1.839 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.528 -12.106 2.968 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.191 -12.842 0.961 1.00 0.00 N ATOM 0 H ASN A 94 8.099 -8.316 1.484 1.00 0.00 H new ATOM 0 HA ASN A 94 5.987 -9.403 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.380 -10.016 0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.024 -10.499 0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.007 -13.814 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.551 -12.613 0.035 1.00 0.00 H new ATOM 1259 N SER A 95 7.681 -10.701 4.471 1.00 0.00 N ATOM 1260 CA SER A 95 8.670 -11.404 5.259 1.00 0.00 C ATOM 1261 C SER A 95 8.041 -12.606 5.940 1.00 0.00 C ATOM 1262 O SER A 95 7.259 -12.450 6.880 1.00 0.00 O ATOM 1263 CB SER A 95 9.266 -10.489 6.313 1.00 0.00 C ATOM 1264 OG SER A 95 9.925 -9.379 5.723 1.00 0.00 O ATOM 0 H SER A 95 6.788 -10.564 4.945 1.00 0.00 H new ATOM 0 HA SER A 95 9.461 -11.737 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.478 -10.135 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.972 -11.049 6.926 1.00 0.00 H new ATOM 0 HG SER A 95 10.297 -8.807 6.427 1.00 0.00 H new ATOM 1269 N TYR A 96 8.373 -13.791 5.447 1.00 0.00 N ATOM 1270 CA TYR A 96 7.855 -15.036 5.996 1.00 0.00 C ATOM 1271 C TYR A 96 6.339 -15.081 5.884 1.00 0.00 C ATOM 1272 O TYR A 96 5.644 -15.508 6.806 1.00 0.00 O ATOM 1273 CB TYR A 96 8.298 -15.225 7.452 1.00 0.00 C ATOM 1274 CG TYR A 96 9.799 -15.249 7.629 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.610 -15.903 6.714 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.401 -14.626 8.712 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.980 -15.930 6.868 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.774 -14.648 8.876 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.559 -15.305 7.950 1.00 0.00 C ATOM 1280 OH TYR A 96 13.925 -15.336 8.103 1.00 0.00 O ATOM 0 H TYR A 96 9.007 -13.916 4.658 1.00 0.00 H new ATOM 0 HA TYR A 96 8.268 -15.859 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.882 -14.420 8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.881 -16.157 7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.161 -16.400 5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.787 -14.115 9.439 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.597 -16.440 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.229 -14.155 9.722 1.00 0.00 H new ATOM 0 HH TYR A 96 14.174 -14.848 8.915 1.00 0.00 H new ATOM 1289 N GLY A 97 5.837 -14.649 4.730 1.00 0.00 N ATOM 1290 CA GLY A 97 4.410 -14.644 4.487 1.00 0.00 C ATOM 1291 C GLY A 97 3.658 -13.743 5.443 1.00 0.00 C ATOM 1292 O GLY A 97 2.454 -13.920 5.654 1.00 0.00 O ATOM 0 H GLY A 97 6.401 -14.300 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.221 -14.320 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.027 -15.661 4.575 1.00 0.00 H new ATOM 1296 N TYR A 98 4.361 -12.773 6.019 1.00 0.00 N ATOM 1297 CA TYR A 98 3.758 -11.856 6.971 1.00 0.00 C ATOM 1298 C TYR A 98 3.827 -10.424 6.450 1.00 0.00 C ATOM 1299 O TYR A 98 4.764 -10.055 5.736 1.00 0.00 O ATOM 1300 CB TYR A 98 4.478 -11.976 8.316 1.00 0.00 C ATOM 1301 CG TYR A 98 3.788 -11.259 9.451 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.523 -11.644 9.876 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.411 -10.211 10.112 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.899 -11.001 10.929 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.795 -9.561 11.162 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.541 -9.960 11.569 1.00 0.00 C ATOM 1307 OH TYR A 98 1.927 -9.312 12.618 1.00 0.00 O ATOM 0 H TYR A 98 5.351 -12.604 5.840 1.00 0.00 H new ATOM 0 HA TYR A 98 2.708 -12.115 7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.574 -13.031 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.488 -11.581 8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.019 -12.458 9.376 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.396 -9.898 9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.915 -11.311 11.249 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.294 -8.744 11.662 1.00 0.00 H new ATOM 0 HH TYR A 98 2.516 -8.605 12.956 1.00 0.00 H new ATOM 1316 N MET A 99 2.811 -9.636 6.798 1.00 0.00 N ATOM 1317 CA MET A 99 2.722 -8.236 6.385 1.00 0.00 C ATOM 1318 C MET A 99 3.900 -7.408 6.904 1.00 0.00 C ATOM 1319 O MET A 99 4.120 -7.311 8.111 1.00 0.00 O ATOM 1320 CB MET A 99 1.409 -7.620 6.886 1.00 0.00 C ATOM 1321 CG MET A 99 1.230 -7.692 8.399 1.00 0.00 C ATOM 1322 SD MET A 99 -0.163 -6.715 8.992 1.00 0.00 S ATOM 1323 CE MET A 99 -0.091 -7.059 10.749 1.00 0.00 C ATOM 0 H MET A 99 2.028 -9.949 7.373 1.00 0.00 H new ATOM 0 HA MET A 99 2.751 -8.219 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.367 -6.576 6.574 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.574 -8.130 6.406 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.088 -8.732 8.693 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.142 -7.345 8.884 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.893 -6.524 11.258 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.207 -8.130 10.915 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.871 -6.733 11.145 1.00 0.00 H new ATOM 1331 N GLU A 100 4.646 -6.806 5.984 1.00 0.00 N ATOM 1332 CA GLU A 100 5.790 -5.971 6.341 1.00 0.00 C ATOM 1333 C GLU A 100 5.804 -4.709 5.501 1.00 0.00 C ATOM 1334 O GLU A 100 6.512 -4.623 4.504 1.00 0.00 O ATOM 1335 CB GLU A 100 7.093 -6.732 6.141 1.00 0.00 C ATOM 1336 CG GLU A 100 7.277 -7.869 7.120 1.00 0.00 C ATOM 1337 CD GLU A 100 7.541 -7.399 8.533 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.565 -6.722 8.759 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.743 -7.726 9.433 1.00 0.00 O ATOM 0 H GLU A 100 4.479 -6.881 4.981 1.00 0.00 H new ATOM 0 HA GLU A 100 5.697 -5.700 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.123 -7.127 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.929 -6.039 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.385 -8.495 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.107 -8.494 6.790 1.00 0.00 H new ATOM 1344 N PRO A 101 4.998 -3.720 5.879 1.00 0.00 N ATOM 1345 CA PRO A 101 4.916 -2.451 5.160 1.00 0.00 C ATOM 1346 C PRO A 101 6.181 -1.612 5.289 1.00 0.00 C ATOM 1347 O PRO A 101 6.313 -0.780 6.188 1.00 0.00 O ATOM 1348 CB PRO A 101 3.735 -1.748 5.809 1.00 0.00 C ATOM 1349 CG PRO A 101 3.632 -2.345 7.174 1.00 0.00 C ATOM 1350 CD PRO A 101 4.091 -3.770 7.036 1.00 0.00 C ATOM 0 HA PRO A 101 4.799 -2.605 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.896 -0.671 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.820 -1.906 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.253 -1.802 7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.608 -2.299 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.602 -4.117 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.255 -4.448 6.863 1.00 0.00 H new ATOM 1355 N CYS A 102 7.101 -1.840 4.375 1.00 0.00 N ATOM 1356 CA CYS A 102 8.366 -1.125 4.347 1.00 0.00 C ATOM 1357 C CYS A 102 8.457 -0.268 3.096 1.00 0.00 C ATOM 1358 O CYS A 102 8.316 -0.763 1.979 1.00 0.00 O ATOM 1359 CB CYS A 102 9.542 -2.107 4.408 1.00 0.00 C ATOM 1360 SG CYS A 102 9.371 -3.556 3.306 1.00 0.00 S ATOM 0 H CYS A 102 6.995 -2.527 3.628 1.00 0.00 H new ATOM 0 HA CYS A 102 8.416 -0.475 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.458 -1.575 4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.655 -2.457 5.434 1.00 0.00 H new