USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 768 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 41 SER OG : rot 180:sc= 0.0674 USER MOD Set 1.2: A 44 SER OG : rot 158:sc= -0.685 USER MOD Set 2.1: A 40 GLN : amide:sc= -2.38 K(o=-17,f=-25!) USER MOD Set 2.2: A 45 MET CE :methyl -147:sc= -5.84! (180deg=-9!) USER MOD Set 2.3: A 50 HIS : no HE2:sc= -8.26 K(o=-17,f=-23!) USER MOD Set 2.4: A 81 MET CE :methyl 157:sc= -0.214 (180deg=-0.854) USER MOD Single : A 1 ILE N :NH3+ 139:sc= -0.0219 (180deg=-0.259) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 6 MET CE :methyl -153:sc= -0.445 (180deg=-1.47!) USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.824 USER MOD Single : A 11 ASN :FLIP amide:sc= -1.02 F(o=-1.7,f=-1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.5!) USER MOD Single : A 19 TYR OH : rot 139:sc= -2.43 USER MOD Single : A 24 GLN : amide:sc= -3.56 X(o=-3.6,f=-3.3) USER MOD Single : A 25 SER OG : rot -160:sc= -1.82 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -28:sc= 0.935 USER MOD Single : A 31 SER OG : rot -39:sc= 1.1 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 25:sc= -2.24! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 43 SER OG : rot 56:sc= 1.19 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 48 HIS : no HD1:sc= -6.84 K(o=-6.8,f=-8.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 15:sc= -0.699 USER MOD Single : A 59 ASN : amide:sc= -0.305 X(o=-0.3,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 65 ASN : amide:sc= -0.0163 K(o=-0.016,f=-5!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -7.07! C(o=-7.1!,f=-7.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 100:sc= -1.2 USER MOD Single : A 84 SER OG : rot 39:sc= 0.519 USER MOD Single : A 89 TYR OH : rot -100:sc= -0.403 USER MOD Single : A 91 ASN : amide:sc= -2.72 K(o=-2.7,f=-11!) USER MOD Single : A 93 THR OG1 : rot -111:sc= -3.37! USER MOD Single : A 98 THR OG1 : rot 140:sc= 0.0947 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.975 -16.627 -2.799 1.00 0.00 N ATOM 2 CA ILE A 1 -4.880 -15.165 -3.047 1.00 0.00 C ATOM 3 C ILE A 1 -6.106 -14.656 -3.800 1.00 0.00 C ATOM 4 O ILE A 1 -6.678 -15.367 -4.626 1.00 0.00 O ATOM 5 CB ILE A 1 -3.611 -14.818 -3.852 1.00 0.00 C ATOM 6 CG1 ILE A 1 -3.494 -13.303 -4.043 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.621 -15.528 -5.198 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.243 -12.882 -4.782 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.046 -17.067 -2.957 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.275 -16.794 -1.817 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.671 -17.045 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.829 -14.677 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.742 -15.161 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.367 -12.945 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.509 -12.820 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.718 -15.271 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.656 -16.606 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.497 -15.216 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.227 -11.797 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.364 -13.209 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.235 -13.337 -5.773 1.00 0.00 H new ATOM 22 N GLU A 2 -6.504 -13.422 -3.508 1.00 0.00 N ATOM 23 CA GLU A 2 -7.660 -12.818 -4.156 1.00 0.00 C ATOM 24 C GLU A 2 -8.925 -13.627 -3.879 1.00 0.00 C ATOM 25 O GLU A 2 -8.858 -14.745 -3.369 1.00 0.00 O ATOM 26 CB GLU A 2 -7.428 -12.712 -5.665 1.00 0.00 C ATOM 27 CG GLU A 2 -7.981 -11.436 -6.277 1.00 0.00 C ATOM 28 CD GLU A 2 -7.606 -11.280 -7.738 1.00 0.00 C ATOM 29 OE1 GLU A 2 -7.983 -12.158 -8.544 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.937 -10.281 -8.077 1.00 0.00 O ATOM 0 H GLU A 2 -6.042 -12.821 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.794 -11.817 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.358 -12.767 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.888 -13.570 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.067 -11.433 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.610 -10.578 -5.717 1.00 0.00 H new ATOM 37 N GLY A 3 -10.074 -13.055 -4.220 1.00 0.00 N ATOM 38 CA GLY A 3 -11.336 -13.737 -4.001 1.00 0.00 C ATOM 39 C GLY A 3 -12.524 -12.797 -4.077 1.00 0.00 C ATOM 40 O GLY A 3 -12.370 -11.616 -4.387 1.00 0.00 O ATOM 0 H GLY A 3 -10.154 -12.131 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.453 -14.526 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.320 -14.219 -3.024 1.00 0.00 H new ATOM 44 N ARG A 4 -13.711 -13.323 -3.792 1.00 0.00 N ATOM 45 CA ARG A 4 -14.930 -12.522 -3.829 1.00 0.00 C ATOM 46 C ARG A 4 -15.676 -12.606 -2.502 1.00 0.00 C ATOM 47 O ARG A 4 -15.309 -13.380 -1.619 1.00 0.00 O ATOM 48 CB ARG A 4 -15.838 -12.990 -4.969 1.00 0.00 C ATOM 49 CG ARG A 4 -15.187 -12.901 -6.340 1.00 0.00 C ATOM 50 CD ARG A 4 -15.884 -13.803 -7.347 1.00 0.00 C ATOM 51 NE ARG A 4 -16.812 -13.060 -8.196 1.00 0.00 N ATOM 52 CZ ARG A 4 -16.429 -12.227 -9.162 1.00 0.00 C ATOM 53 NH1 ARG A 4 -15.139 -12.028 -9.404 1.00 0.00 N ATOM 54 NH2 ARG A 4 -17.338 -11.592 -9.888 1.00 0.00 N ATOM 0 H ARG A 4 -13.855 -14.299 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 4 -14.648 -11.483 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -16.137 -14.022 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -16.748 -12.389 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -15.217 -11.870 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.137 -13.182 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.138 -14.296 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -16.425 -14.587 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 4 -17.812 -13.187 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.435 -12.514 -8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.852 -11.389 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -18.331 -11.741 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.045 -10.954 -10.628 1.00 0.00 H new ATOM 68 N HIS A 5 -16.728 -11.804 -2.369 1.00 0.00 N ATOM 69 CA HIS A 5 -17.527 -11.785 -1.149 1.00 0.00 C ATOM 70 C HIS A 5 -18.122 -13.161 -0.867 1.00 0.00 C ATOM 71 O HIS A 5 -18.595 -13.843 -1.776 1.00 0.00 O ATOM 72 CB HIS A 5 -18.645 -10.747 -1.262 1.00 0.00 C ATOM 73 CG HIS A 5 -18.947 -10.050 0.028 1.00 0.00 C ATOM 74 ND1 HIS A 5 -19.263 -10.721 1.190 1.00 0.00 N ATOM 75 CD2 HIS A 5 -18.979 -8.731 0.336 1.00 0.00 C ATOM 76 CE1 HIS A 5 -19.478 -9.846 2.157 1.00 0.00 C ATOM 77 NE2 HIS A 5 -19.311 -8.633 1.665 1.00 0.00 N ATOM 0 H HIS A 5 -17.047 -11.159 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.872 -11.515 -0.320 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.366 -10.005 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.550 -11.237 -1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.781 -7.910 -0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.745 -10.083 3.176 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -19.412 -7.763 2.188 1.00 0.00 H new ATOM 86 N MET A 6 -18.096 -13.564 0.400 1.00 0.00 N ATOM 87 CA MET A 6 -18.633 -14.857 0.804 1.00 0.00 C ATOM 88 C MET A 6 -18.542 -15.038 2.315 1.00 0.00 C ATOM 89 O MET A 6 -19.461 -15.562 2.945 1.00 0.00 O ATOM 90 CB MET A 6 -17.882 -15.989 0.098 1.00 0.00 C ATOM 91 CG MET A 6 -18.770 -17.158 -0.291 1.00 0.00 C ATOM 92 SD MET A 6 -17.914 -18.369 -1.317 1.00 0.00 S ATOM 93 CE MET A 6 -17.273 -17.319 -2.618 1.00 0.00 C ATOM 0 H MET A 6 -17.708 -13.012 1.165 1.00 0.00 H new ATOM 0 HA MET A 6 -19.683 -14.890 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 6 -17.404 -15.593 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.087 -16.349 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.137 -17.647 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 6 -19.642 -16.784 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.154 -17.902 -3.531 1.00 0.00 H new ATOM 0 HE2 MET A 6 -17.968 -16.499 -2.799 1.00 0.00 H new ATOM 0 HE3 MET A 6 -16.306 -16.915 -2.317 1.00 0.00 H new ATOM 103 N ALA A 7 -17.427 -14.600 2.892 1.00 0.00 N ATOM 104 CA ALA A 7 -17.215 -14.713 4.329 1.00 0.00 C ATOM 105 C ALA A 7 -17.560 -13.405 5.040 1.00 0.00 C ATOM 106 O ALA A 7 -16.844 -12.411 4.905 1.00 0.00 O ATOM 107 CB ALA A 7 -15.774 -15.106 4.618 1.00 0.00 C ATOM 0 H ALA A 7 -16.657 -14.164 2.385 1.00 0.00 H new ATOM 0 HA ALA A 7 -17.878 -15.490 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.628 -15.187 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.558 -16.066 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.102 -14.347 4.217 1.00 0.00 H new ATOM 113 N PRO A 8 -18.662 -13.382 5.812 1.00 0.00 N ATOM 114 CA PRO A 8 -19.089 -12.182 6.541 1.00 0.00 C ATOM 115 C PRO A 8 -18.141 -11.830 7.682 1.00 0.00 C ATOM 116 O PRO A 8 -18.525 -11.847 8.852 1.00 0.00 O ATOM 117 CB PRO A 8 -20.467 -12.566 7.087 1.00 0.00 C ATOM 118 CG PRO A 8 -20.438 -14.052 7.176 1.00 0.00 C ATOM 119 CD PRO A 8 -19.578 -14.518 6.035 1.00 0.00 C ATOM 0 HA PRO A 8 -19.102 -11.300 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.646 -12.114 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.264 -12.224 6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -20.028 -14.378 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.443 -14.467 7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.035 -15.429 6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.172 -14.736 5.147 1.00 0.00 H new ATOM 127 N THR A 9 -16.899 -11.509 7.334 1.00 0.00 N ATOM 128 CA THR A 9 -15.891 -11.151 8.327 1.00 0.00 C ATOM 129 C THR A 9 -14.571 -10.790 7.652 1.00 0.00 C ATOM 130 O THR A 9 -14.492 -10.713 6.426 1.00 0.00 O ATOM 131 CB THR A 9 -15.681 -12.305 9.311 1.00 0.00 C ATOM 132 OG1 THR A 9 -16.091 -13.534 8.738 1.00 0.00 O ATOM 133 CG2 THR A 9 -16.438 -12.130 10.609 1.00 0.00 C ATOM 0 H THR A 9 -16.566 -11.489 6.370 1.00 0.00 H new ATOM 0 HA THR A 9 -16.247 -10.279 8.876 1.00 0.00 H new ATOM 0 HB THR A 9 -14.613 -12.307 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.382 -13.875 8.153 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.245 -12.982 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.109 -11.215 11.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.506 -12.066 10.401 1.00 0.00 H new ATOM 141 N GLU A 10 -13.538 -10.568 8.459 1.00 0.00 N ATOM 142 CA GLU A 10 -12.224 -10.214 7.933 1.00 0.00 C ATOM 143 C GLU A 10 -11.193 -10.120 9.054 1.00 0.00 C ATOM 144 O GLU A 10 -11.497 -10.391 10.216 1.00 0.00 O ATOM 145 CB GLU A 10 -12.300 -8.883 7.182 1.00 0.00 C ATOM 146 CG GLU A 10 -12.653 -7.702 8.070 1.00 0.00 C ATOM 147 CD GLU A 10 -13.616 -6.739 7.404 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.708 -6.759 6.159 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.277 -5.965 8.127 1.00 0.00 O ATOM 0 H GLU A 10 -13.585 -10.627 9.476 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.911 -10.999 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.341 -8.691 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.043 -8.965 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.094 -8.068 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.741 -7.170 8.340 1.00 0.00 H new ATOM 156 N ASN A 11 -9.970 -9.731 8.696 1.00 0.00 N ATOM 157 CA ASN A 11 -8.890 -9.598 9.671 1.00 0.00 C ATOM 158 C ASN A 11 -8.412 -10.963 10.155 1.00 0.00 C ATOM 159 O ASN A 11 -9.055 -11.597 10.992 1.00 0.00 O ATOM 160 CB ASN A 11 -9.342 -8.750 10.865 1.00 0.00 C ATOM 161 CG ASN A 11 -10.108 -7.511 10.441 1.00 0.00 C ATOM 162 OD1 ASN A 11 -9.650 -6.868 9.373 1.00 0.00 O flip ATOM 163 ND2 ASN A 11 -11.099 -7.135 11.067 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.703 -9.503 7.738 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.058 -9.098 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.970 -9.355 11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.469 -8.452 11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.416 -7.659 11.882 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.603 -6.299 10.770 1.00 0.00 H new ATOM 170 N SER A 12 -7.276 -11.405 9.624 1.00 0.00 N ATOM 171 CA SER A 12 -6.695 -12.694 9.997 1.00 0.00 C ATOM 172 C SER A 12 -7.707 -13.829 9.842 1.00 0.00 C ATOM 173 O SER A 12 -7.792 -14.452 8.784 1.00 0.00 O ATOM 174 CB SER A 12 -6.166 -12.641 11.433 1.00 0.00 C ATOM 175 OG SER A 12 -4.805 -12.243 11.462 1.00 0.00 O ATOM 0 H SER A 12 -6.736 -10.888 8.930 1.00 0.00 H new ATOM 0 HA SER A 12 -5.864 -12.896 9.321 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.765 -11.943 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.272 -13.621 11.899 1.00 0.00 H new ATOM 0 HG SER A 12 -4.492 -12.215 12.390 1.00 0.00 H new ATOM 181 N THR A 13 -8.472 -14.097 10.899 1.00 0.00 N ATOM 182 CA THR A 13 -9.471 -15.159 10.866 1.00 0.00 C ATOM 183 C THR A 13 -10.867 -14.582 10.668 1.00 0.00 C ATOM 184 O THR A 13 -11.728 -14.694 11.543 1.00 0.00 O ATOM 185 CB THR A 13 -9.418 -15.977 12.159 1.00 0.00 C ATOM 186 OG1 THR A 13 -9.258 -15.129 13.282 1.00 0.00 O ATOM 187 CG2 THR A 13 -8.291 -16.986 12.182 1.00 0.00 C ATOM 0 H THR A 13 -8.418 -13.594 11.785 1.00 0.00 H new ATOM 0 HA THR A 13 -9.246 -15.813 10.024 1.00 0.00 H new ATOM 0 HB THR A 13 -10.366 -16.514 12.201 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.228 -15.670 14.099 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.310 -17.532 13.125 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.412 -17.686 11.355 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.337 -16.468 12.082 1.00 0.00 H new ATOM 195 N GLY A 14 -11.086 -13.960 9.515 1.00 0.00 N ATOM 196 CA GLY A 14 -12.379 -13.373 9.225 1.00 0.00 C ATOM 197 C GLY A 14 -12.804 -13.578 7.785 1.00 0.00 C ATOM 198 O GLY A 14 -13.959 -13.907 7.514 1.00 0.00 O ATOM 0 H GLY A 14 -10.391 -13.852 8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.128 -13.809 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.346 -12.305 9.441 1.00 0.00 H new ATOM 202 N VAL A 15 -11.872 -13.380 6.857 1.00 0.00 N ATOM 203 CA VAL A 15 -12.164 -13.545 5.439 1.00 0.00 C ATOM 204 C VAL A 15 -11.231 -14.564 4.792 1.00 0.00 C ATOM 205 O VAL A 15 -10.146 -14.839 5.303 1.00 0.00 O ATOM 206 CB VAL A 15 -12.051 -12.206 4.683 1.00 0.00 C ATOM 207 CG1 VAL A 15 -10.619 -11.690 4.711 1.00 0.00 C ATOM 208 CG2 VAL A 15 -12.542 -12.358 3.251 1.00 0.00 C ATOM 0 H VAL A 15 -10.911 -13.106 7.062 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.189 -13.908 5.371 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.684 -11.475 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.562 -10.744 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.307 -11.538 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.961 -12.418 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.455 -11.403 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.938 -13.106 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.585 -12.674 3.256 1.00 0.00 H new ATOM 218 N GLN A 16 -11.659 -15.113 3.659 1.00 0.00 N ATOM 219 CA GLN A 16 -10.859 -16.091 2.933 1.00 0.00 C ATOM 220 C GLN A 16 -9.589 -15.437 2.385 1.00 0.00 C ATOM 221 O GLN A 16 -9.104 -14.453 2.944 1.00 0.00 O ATOM 222 CB GLN A 16 -11.687 -16.708 1.800 1.00 0.00 C ATOM 223 CG GLN A 16 -11.969 -15.747 0.655 1.00 0.00 C ATOM 224 CD GLN A 16 -11.509 -16.286 -0.686 1.00 0.00 C ATOM 225 OE1 GLN A 16 -10.510 -16.998 -0.772 1.00 0.00 O ATOM 226 NE2 GLN A 16 -12.240 -15.947 -1.743 1.00 0.00 N ATOM 0 H GLN A 16 -12.556 -14.896 3.224 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.563 -16.886 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.161 -17.579 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.634 -17.063 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.039 -15.542 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.470 -14.798 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.062 -15.354 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.979 -16.280 -2.671 1.00 0.00 H new ATOM 235 N ASP A 17 -9.050 -15.978 1.291 1.00 0.00 N ATOM 236 CA ASP A 17 -7.838 -15.429 0.685 1.00 0.00 C ATOM 237 C ASP A 17 -6.612 -15.771 1.520 1.00 0.00 C ATOM 238 O ASP A 17 -6.415 -15.217 2.599 1.00 0.00 O ATOM 239 CB ASP A 17 -7.958 -13.910 0.524 1.00 0.00 C ATOM 240 CG ASP A 17 -9.340 -13.484 0.066 1.00 0.00 C ATOM 241 OD1 ASP A 17 -9.642 -13.639 -1.136 1.00 0.00 O ATOM 242 OD2 ASP A 17 -10.120 -12.994 0.909 1.00 0.00 O ATOM 0 H ASP A 17 -9.432 -16.792 0.809 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.721 -15.879 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.728 -13.428 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.217 -13.564 -0.197 1.00 0.00 H new ATOM 247 N CYS A 18 -5.790 -16.686 1.011 1.00 0.00 N ATOM 248 CA CYS A 18 -4.584 -17.109 1.711 1.00 0.00 C ATOM 249 C CYS A 18 -3.350 -16.436 1.112 1.00 0.00 C ATOM 250 O CYS A 18 -3.320 -16.113 -0.076 1.00 0.00 O ATOM 251 CB CYS A 18 -4.461 -18.643 1.670 1.00 0.00 C ATOM 252 SG CYS A 18 -3.189 -19.304 0.538 1.00 0.00 S ATOM 0 H CYS A 18 -5.939 -17.148 0.114 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.654 -16.801 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.245 -18.999 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.427 -19.059 1.385 1.00 0.00 H new ATOM 257 N TYR A 19 -2.341 -16.213 1.950 1.00 0.00 N ATOM 258 CA TYR A 19 -1.116 -15.563 1.516 1.00 0.00 C ATOM 259 C TYR A 19 0.013 -16.578 1.370 1.00 0.00 C ATOM 260 O TYR A 19 -0.191 -17.777 1.557 1.00 0.00 O ATOM 261 CB TYR A 19 -0.705 -14.473 2.510 1.00 0.00 C ATOM 262 CG TYR A 19 -0.202 -14.978 3.844 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.059 -15.547 3.975 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.990 -14.864 4.980 1.00 0.00 C ATOM 265 CE1 TYR A 19 1.516 -15.994 5.198 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.540 -15.305 6.206 1.00 0.00 C ATOM 267 CZ TYR A 19 0.713 -15.871 6.312 1.00 0.00 C ATOM 268 OH TYR A 19 1.166 -16.311 7.534 1.00 0.00 O ATOM 0 H TYR A 19 -2.352 -16.475 2.936 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.305 -15.106 0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.073 -13.862 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.561 -13.821 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.692 -15.641 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.973 -14.422 4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.497 -16.438 5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.166 -15.208 7.080 1.00 0.00 H new ATOM 0 HH TYR A 19 0.911 -15.668 8.228 1.00 0.00 H new ATOM 278 N ARG A 20 1.204 -16.091 1.044 1.00 0.00 N ATOM 279 CA ARG A 20 2.363 -16.961 0.884 1.00 0.00 C ATOM 280 C ARG A 20 3.638 -16.257 1.335 1.00 0.00 C ATOM 281 O ARG A 20 3.890 -15.110 0.966 1.00 0.00 O ATOM 282 CB ARG A 20 2.488 -17.408 -0.568 1.00 0.00 C ATOM 283 CG ARG A 20 1.327 -18.274 -1.029 1.00 0.00 C ATOM 284 CD ARG A 20 1.784 -19.361 -1.989 1.00 0.00 C ATOM 285 NE ARG A 20 1.416 -20.696 -1.522 1.00 0.00 N ATOM 286 CZ ARG A 20 2.092 -21.369 -0.593 1.00 0.00 C ATOM 287 NH1 ARG A 20 3.170 -20.838 -0.031 1.00 0.00 N ATOM 288 NH2 ARG A 20 1.689 -22.577 -0.227 1.00 0.00 N ATOM 0 H ARG A 20 1.393 -15.101 0.886 1.00 0.00 H new ATOM 0 HA ARG A 20 2.221 -17.840 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.553 -16.528 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.418 -17.962 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.847 -18.731 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.578 -17.650 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.343 -19.186 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.866 -19.305 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 20 0.593 -21.138 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.485 -19.909 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.683 -21.359 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.862 -22.991 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.206 -23.093 0.485 1.00 0.00 H new ATOM 302 N GLY A 21 4.436 -16.949 2.144 1.00 0.00 N ATOM 303 CA GLY A 21 5.671 -16.370 2.639 1.00 0.00 C ATOM 304 C GLY A 21 5.418 -15.172 3.531 1.00 0.00 C ATOM 305 O GLY A 21 5.010 -15.323 4.682 1.00 0.00 O ATOM 0 H GLY A 21 4.249 -17.899 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.228 -17.124 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.294 -16.070 1.796 1.00 0.00 H new ATOM 309 N ASP A 22 5.648 -13.978 2.995 1.00 0.00 N ATOM 310 CA ASP A 22 5.430 -12.749 3.746 1.00 0.00 C ATOM 311 C ASP A 22 4.448 -11.845 3.011 1.00 0.00 C ATOM 312 O ASP A 22 4.839 -11.039 2.168 1.00 0.00 O ATOM 313 CB ASP A 22 6.751 -12.015 3.975 1.00 0.00 C ATOM 314 CG ASP A 22 7.511 -12.552 5.172 1.00 0.00 C ATOM 315 OD1 ASP A 22 6.860 -13.046 6.116 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.758 -12.477 5.166 1.00 0.00 O ATOM 0 H ASP A 22 5.985 -13.836 2.043 1.00 0.00 H new ATOM 0 HA ASP A 22 5.008 -13.012 4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.372 -12.104 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.553 -10.953 4.120 1.00 0.00 H new ATOM 321 N GLY A 23 3.168 -11.992 3.334 1.00 0.00 N ATOM 322 CA GLY A 23 2.136 -11.192 2.696 1.00 0.00 C ATOM 323 C GLY A 23 2.489 -9.718 2.604 1.00 0.00 C ATOM 324 O GLY A 23 2.005 -9.014 1.719 1.00 0.00 O ATOM 0 H GLY A 23 2.824 -12.654 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.955 -11.578 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.205 -11.301 3.253 1.00 0.00 H new ATOM 328 N GLN A 24 3.323 -9.248 3.526 1.00 0.00 N ATOM 329 CA GLN A 24 3.726 -7.845 3.545 1.00 0.00 C ATOM 330 C GLN A 24 5.216 -7.685 3.249 1.00 0.00 C ATOM 331 O GLN A 24 5.860 -6.765 3.755 1.00 0.00 O ATOM 332 CB GLN A 24 3.399 -7.214 4.899 1.00 0.00 C ATOM 333 CG GLN A 24 3.430 -8.194 6.062 1.00 0.00 C ATOM 334 CD GLN A 24 4.772 -8.886 6.208 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.840 -10.099 6.409 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.848 -8.117 6.108 1.00 0.00 N ATOM 0 H GLN A 24 3.732 -9.816 4.268 1.00 0.00 H new ATOM 0 HA GLN A 24 3.166 -7.333 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.109 -6.411 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.410 -6.759 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.197 -7.664 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.652 -8.944 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.746 -7.116 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.778 -8.527 6.198 1.00 0.00 H new ATOM 345 N SER A 25 5.759 -8.574 2.425 1.00 0.00 N ATOM 346 CA SER A 25 7.173 -8.511 2.066 1.00 0.00 C ATOM 347 C SER A 25 7.360 -7.747 0.758 1.00 0.00 C ATOM 348 O SER A 25 8.073 -8.193 -0.141 1.00 0.00 O ATOM 349 CB SER A 25 7.760 -9.920 1.945 1.00 0.00 C ATOM 350 OG SER A 25 8.582 -10.226 3.058 1.00 0.00 O ATOM 0 H SER A 25 5.246 -9.343 1.994 1.00 0.00 H new ATOM 0 HA SER A 25 7.703 -7.981 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.953 -10.649 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.342 -9.998 1.027 1.00 0.00 H new ATOM 0 HG SER A 25 9.184 -10.964 2.827 1.00 0.00 H new ATOM 356 N TYR A 26 6.711 -6.592 0.660 1.00 0.00 N ATOM 357 CA TYR A 26 6.804 -5.763 -0.538 1.00 0.00 C ATOM 358 C TYR A 26 6.342 -6.535 -1.770 1.00 0.00 C ATOM 359 O TYR A 26 6.927 -6.413 -2.848 1.00 0.00 O ATOM 360 CB TYR A 26 8.240 -5.273 -0.735 1.00 0.00 C ATOM 361 CG TYR A 26 8.359 -4.128 -1.715 1.00 0.00 C ATOM 362 CD1 TYR A 26 8.092 -2.822 -1.323 1.00 0.00 C ATOM 363 CD2 TYR A 26 8.740 -4.353 -3.032 1.00 0.00 C ATOM 364 CE1 TYR A 26 8.201 -1.774 -2.217 1.00 0.00 C ATOM 365 CE2 TYR A 26 8.851 -3.310 -3.931 1.00 0.00 C ATOM 366 CZ TYR A 26 8.580 -2.022 -3.518 1.00 0.00 C ATOM 367 OH TYR A 26 8.690 -0.980 -4.411 1.00 0.00 O ATOM 0 H TYR A 26 6.116 -6.208 1.394 1.00 0.00 H new ATOM 0 HA TYR A 26 6.150 -4.901 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.644 -4.960 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.854 -6.104 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.795 -2.623 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.953 -5.360 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.990 -0.764 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.148 -3.502 -4.951 1.00 0.00 H new ATOM 0 HH TYR A 26 8.968 -1.326 -5.285 1.00 0.00 H new ATOM 377 N ARG A 27 5.291 -7.331 -1.605 1.00 0.00 N ATOM 378 CA ARG A 27 4.751 -8.124 -2.703 1.00 0.00 C ATOM 379 C ARG A 27 3.227 -8.062 -2.723 1.00 0.00 C ATOM 380 O ARG A 27 2.615 -7.349 -1.927 1.00 0.00 O ATOM 381 CB ARG A 27 5.210 -9.578 -2.585 1.00 0.00 C ATOM 382 CG ARG A 27 6.722 -9.742 -2.604 1.00 0.00 C ATOM 383 CD ARG A 27 7.164 -10.931 -1.765 1.00 0.00 C ATOM 384 NE ARG A 27 7.296 -12.146 -2.565 1.00 0.00 N ATOM 385 CZ ARG A 27 8.343 -12.412 -3.342 1.00 0.00 C ATOM 386 NH1 ARG A 27 9.350 -11.552 -3.427 1.00 0.00 N ATOM 387 NH2 ARG A 27 8.384 -13.543 -4.035 1.00 0.00 N ATOM 0 H ARG A 27 4.796 -7.444 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 27 5.127 -7.705 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.819 -10.000 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.780 -10.154 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.062 -9.874 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.192 -8.834 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.118 -10.704 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.442 -11.100 -0.966 1.00 0.00 H new ATOM 0 HE ARG A 27 6.541 -12.831 -2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.324 -10.682 -2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.150 -11.761 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.613 -14.208 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.186 -13.747 -4.631 1.00 0.00 H new ATOM 401 N GLY A 28 2.620 -8.813 -3.637 1.00 0.00 N ATOM 402 CA GLY A 28 1.173 -8.828 -3.743 1.00 0.00 C ATOM 403 C GLY A 28 0.681 -8.289 -5.071 1.00 0.00 C ATOM 404 O GLY A 28 0.160 -9.036 -5.899 1.00 0.00 O ATOM 0 H GLY A 28 3.105 -9.411 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.813 -9.849 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.747 -8.235 -2.934 1.00 0.00 H new ATOM 408 N THR A 29 0.848 -6.985 -5.276 1.00 0.00 N ATOM 409 CA THR A 29 0.418 -6.341 -6.514 1.00 0.00 C ATOM 410 C THR A 29 -1.071 -6.570 -6.766 1.00 0.00 C ATOM 411 O THR A 29 -1.533 -6.503 -7.905 1.00 0.00 O ATOM 412 CB THR A 29 1.233 -6.863 -7.699 1.00 0.00 C ATOM 413 OG1 THR A 29 0.743 -8.119 -8.133 1.00 0.00 O ATOM 414 CG2 THR A 29 2.707 -7.024 -7.392 1.00 0.00 C ATOM 0 H THR A 29 1.278 -6.353 -4.600 1.00 0.00 H new ATOM 0 HA THR A 29 0.588 -5.269 -6.409 1.00 0.00 H new ATOM 0 HB THR A 29 1.123 -6.107 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.324 -8.585 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.224 -7.397 -8.276 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.127 -6.059 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.833 -7.731 -6.572 1.00 0.00 H new ATOM 422 N LEU A 30 -1.816 -6.837 -5.698 1.00 0.00 N ATOM 423 CA LEU A 30 -3.252 -7.073 -5.809 1.00 0.00 C ATOM 424 C LEU A 30 -4.030 -5.769 -5.664 1.00 0.00 C ATOM 425 O LEU A 30 -5.085 -5.593 -6.272 1.00 0.00 O ATOM 426 CB LEU A 30 -3.711 -8.074 -4.745 1.00 0.00 C ATOM 427 CG LEU A 30 -2.720 -9.199 -4.441 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.269 -10.114 -3.357 1.00 0.00 C ATOM 429 CD2 LEU A 30 -2.409 -9.990 -5.702 1.00 0.00 C ATOM 0 H LEU A 30 -1.450 -6.895 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.451 -7.487 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.915 -7.531 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.653 -8.518 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.794 -8.754 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.551 -10.909 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.441 -9.538 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.209 -10.552 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.703 -10.786 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.328 -10.425 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.973 -9.327 -6.449 1.00 0.00 H new ATOM 441 N SER A 31 -3.501 -4.860 -4.851 1.00 0.00 N ATOM 442 CA SER A 31 -4.145 -3.571 -4.621 1.00 0.00 C ATOM 443 C SER A 31 -5.548 -3.751 -4.051 1.00 0.00 C ATOM 444 O SER A 31 -6.383 -2.850 -4.138 1.00 0.00 O ATOM 445 CB SER A 31 -4.206 -2.766 -5.921 1.00 0.00 C ATOM 446 OG SER A 31 -5.317 -3.156 -6.711 1.00 0.00 O ATOM 0 H SER A 31 -2.628 -4.992 -4.340 1.00 0.00 H new ATOM 0 HA SER A 31 -3.548 -3.024 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.275 -1.703 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.285 -2.911 -6.486 1.00 0.00 H new ATOM 0 HG SER A 31 -5.434 -4.127 -6.654 1.00 0.00 H new ATOM 452 N THR A 32 -5.798 -4.914 -3.459 1.00 0.00 N ATOM 453 CA THR A 32 -7.096 -5.205 -2.865 1.00 0.00 C ATOM 454 C THR A 32 -6.928 -5.639 -1.415 1.00 0.00 C ATOM 455 O THR A 32 -5.808 -5.855 -0.953 1.00 0.00 O ATOM 456 CB THR A 32 -7.817 -6.293 -3.657 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.541 -6.175 -5.042 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.318 -6.250 -3.482 1.00 0.00 C ATOM 0 H THR A 32 -5.118 -5.670 -3.378 1.00 0.00 H new ATOM 0 HA THR A 32 -7.698 -4.297 -2.894 1.00 0.00 H new ATOM 0 HB THR A 32 -7.443 -7.238 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.011 -6.882 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.776 -7.047 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.566 -6.386 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.696 -5.286 -3.822 1.00 0.00 H new ATOM 466 N THR A 33 -8.038 -5.758 -0.694 1.00 0.00 N ATOM 467 CA THR A 33 -7.979 -6.158 0.699 1.00 0.00 C ATOM 468 C THR A 33 -9.315 -6.698 1.195 1.00 0.00 C ATOM 469 O THR A 33 -10.248 -5.937 1.448 1.00 0.00 O ATOM 470 CB THR A 33 -7.544 -4.976 1.566 1.00 0.00 C ATOM 471 OG1 THR A 33 -7.778 -5.240 2.936 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.255 -3.688 1.224 1.00 0.00 C ATOM 0 H THR A 33 -8.978 -5.584 -1.050 1.00 0.00 H new ATOM 0 HA THR A 33 -7.247 -6.962 0.778 1.00 0.00 H new ATOM 0 HB THR A 33 -6.480 -4.852 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.781 -6.208 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.899 -2.891 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.052 -3.425 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.328 -3.817 1.362 1.00 0.00 H new ATOM 480 N ILE A 34 -9.376 -8.020 1.355 1.00 0.00 N ATOM 481 CA ILE A 34 -10.570 -8.706 1.858 1.00 0.00 C ATOM 482 C ILE A 34 -11.555 -9.050 0.734 1.00 0.00 C ATOM 483 O ILE A 34 -11.264 -9.913 -0.094 1.00 0.00 O ATOM 484 CB ILE A 34 -11.253 -7.884 2.978 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.224 -7.508 4.038 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.385 -8.658 3.629 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.545 -8.706 4.661 1.00 0.00 C ATOM 0 H ILE A 34 -8.600 -8.647 1.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.241 -9.652 2.289 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.672 -6.986 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.469 -6.863 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.713 -6.928 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.840 -8.049 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.135 -8.906 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.993 -9.576 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.825 -8.369 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.292 -9.340 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.028 -9.274 3.888 1.00 0.00 H new ATOM 499 N THR A 35 -12.720 -8.402 0.700 1.00 0.00 N ATOM 500 CA THR A 35 -13.709 -8.692 -0.331 1.00 0.00 C ATOM 501 C THR A 35 -14.507 -7.447 -0.701 1.00 0.00 C ATOM 502 O THR A 35 -15.738 -7.452 -0.674 1.00 0.00 O ATOM 503 CB THR A 35 -14.655 -9.798 0.143 1.00 0.00 C ATOM 504 OG1 THR A 35 -14.810 -9.755 1.549 1.00 0.00 O ATOM 505 CG2 THR A 35 -14.180 -11.188 -0.225 1.00 0.00 C ATOM 0 H THR A 35 -12.997 -7.682 1.367 1.00 0.00 H new ATOM 0 HA THR A 35 -13.177 -9.029 -1.221 1.00 0.00 H new ATOM 0 HB THR A 35 -15.601 -9.608 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.419 -10.468 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.895 -11.925 0.140 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.096 -11.269 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.206 -11.372 0.229 1.00 0.00 H new ATOM 513 N GLY A 36 -13.797 -6.382 -1.051 1.00 0.00 N ATOM 514 CA GLY A 36 -14.457 -5.146 -1.428 1.00 0.00 C ATOM 515 C GLY A 36 -13.771 -3.919 -0.864 1.00 0.00 C ATOM 516 O GLY A 36 -14.426 -2.928 -0.542 1.00 0.00 O ATOM 0 H GLY A 36 -12.778 -6.351 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.487 -5.072 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.490 -5.171 -1.081 1.00 0.00 H new ATOM 520 N ARG A 37 -12.449 -3.983 -0.744 1.00 0.00 N ATOM 521 CA ARG A 37 -11.679 -2.869 -0.214 1.00 0.00 C ATOM 522 C ARG A 37 -10.274 -2.863 -0.806 1.00 0.00 C ATOM 523 O ARG A 37 -9.755 -3.905 -1.204 1.00 0.00 O ATOM 524 CB ARG A 37 -11.604 -2.959 1.309 1.00 0.00 C ATOM 525 CG ARG A 37 -12.776 -2.296 2.015 1.00 0.00 C ATOM 526 CD ARG A 37 -13.368 -3.192 3.093 1.00 0.00 C ATOM 527 NE ARG A 37 -14.822 -3.298 2.979 1.00 0.00 N ATOM 528 CZ ARG A 37 -15.446 -4.210 2.237 1.00 0.00 C ATOM 529 NH1 ARG A 37 -14.754 -5.094 1.530 1.00 0.00 N ATOM 530 NH2 ARG A 37 -16.772 -4.235 2.198 1.00 0.00 N ATOM 0 H ARG A 37 -11.891 -4.795 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.178 -1.940 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.561 -4.008 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.677 -2.495 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.447 -1.358 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.547 -2.048 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.925 -4.186 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.109 -2.797 4.075 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.393 -2.632 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.734 -5.079 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.242 -5.789 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.311 -3.556 2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.252 -4.933 1.630 1.00 0.00 H new ATOM 544 N THR A 38 -9.663 -1.686 -0.864 1.00 0.00 N ATOM 545 CA THR A 38 -8.319 -1.556 -1.412 1.00 0.00 C ATOM 546 C THR A 38 -7.341 -1.051 -0.360 1.00 0.00 C ATOM 547 O THR A 38 -7.635 -1.048 0.834 1.00 0.00 O ATOM 548 CB THR A 38 -8.317 -0.598 -2.603 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.361 0.755 -2.163 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.477 -0.811 -3.550 1.00 0.00 C ATOM 0 H THR A 38 -10.075 -0.811 -0.540 1.00 0.00 H new ATOM 0 HA THR A 38 -8.002 -2.546 -1.740 1.00 0.00 H new ATOM 0 HB THR A 38 -7.391 -0.810 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.357 1.352 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.412 -0.097 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.441 -1.825 -3.947 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.415 -0.664 -3.015 1.00 0.00 H new ATOM 558 N CYS A 39 -6.176 -0.621 -0.823 1.00 0.00 N ATOM 559 CA CYS A 39 -5.141 -0.101 0.060 1.00 0.00 C ATOM 560 C CYS A 39 -5.174 1.427 0.118 1.00 0.00 C ATOM 561 O CYS A 39 -4.429 2.039 0.883 1.00 0.00 O ATOM 562 CB CYS A 39 -3.766 -0.562 -0.418 1.00 0.00 C ATOM 563 SG CYS A 39 -2.434 -0.290 0.791 1.00 0.00 S ATOM 0 H CYS A 39 -5.923 -0.622 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.332 -0.487 1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.813 -1.624 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.518 -0.037 -1.341 1.00 0.00 H new ATOM 568 N GLN A 40 -6.029 2.044 -0.699 1.00 0.00 N ATOM 569 CA GLN A 40 -6.133 3.498 -0.732 1.00 0.00 C ATOM 570 C GLN A 40 -4.818 4.109 -1.197 1.00 0.00 C ATOM 571 O GLN A 40 -3.853 4.181 -0.436 1.00 0.00 O ATOM 572 CB GLN A 40 -6.505 4.041 0.649 1.00 0.00 C ATOM 573 CG GLN A 40 -7.435 5.243 0.601 1.00 0.00 C ATOM 574 CD GLN A 40 -6.913 6.351 -0.293 1.00 0.00 C ATOM 575 OE1 GLN A 40 -6.648 6.137 -1.476 1.00 0.00 O ATOM 576 NE2 GLN A 40 -6.763 7.543 0.270 1.00 0.00 N ATOM 0 H GLN A 40 -6.655 1.560 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.919 3.772 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.980 3.248 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.594 4.318 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.415 4.925 0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.573 5.631 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.995 7.675 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.415 8.327 -0.282 1.00 0.00 H new ATOM 585 N SER A 41 -4.782 4.542 -2.453 1.00 0.00 N ATOM 586 CA SER A 41 -3.576 5.136 -3.018 1.00 0.00 C ATOM 587 C SER A 41 -3.037 6.241 -2.120 1.00 0.00 C ATOM 588 O SER A 41 -3.698 7.253 -1.894 1.00 0.00 O ATOM 589 CB SER A 41 -3.847 5.683 -4.420 1.00 0.00 C ATOM 590 OG SER A 41 -5.024 5.118 -4.973 1.00 0.00 O ATOM 0 H SER A 41 -5.571 4.493 -3.097 1.00 0.00 H new ATOM 0 HA SER A 41 -2.822 4.352 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.947 6.768 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.998 5.467 -5.068 1.00 0.00 H new ATOM 0 HG SER A 41 -5.174 5.486 -5.869 1.00 0.00 H new ATOM 596 N TRP A 42 -1.828 6.033 -1.612 1.00 0.00 N ATOM 597 CA TRP A 42 -1.186 7.004 -0.736 1.00 0.00 C ATOM 598 C TRP A 42 -0.965 8.319 -1.469 1.00 0.00 C ATOM 599 O TRP A 42 0.121 8.580 -1.988 1.00 0.00 O ATOM 600 CB TRP A 42 0.145 6.464 -0.227 1.00 0.00 C ATOM 601 CG TRP A 42 0.108 5.003 0.110 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.488 3.968 -0.693 1.00 0.00 C ATOM 603 CD2 TRP A 42 -0.341 4.416 1.334 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.303 2.771 -0.044 1.00 0.00 N ATOM 605 CE2 TRP A 42 -0.203 3.021 1.206 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.844 4.936 2.527 1.00 0.00 C ATOM 607 CZ2 TRP A 42 -0.551 2.141 2.228 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -1.189 4.063 3.541 1.00 0.00 C ATOM 609 CH2 TRP A 42 -1.040 2.680 3.386 1.00 0.00 C ATOM 0 H TRP A 42 -1.271 5.198 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.843 7.182 0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.911 6.635 -0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.441 7.026 0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.878 4.074 -1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.508 1.849 -0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.962 6.002 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.439 1.073 2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.580 4.454 4.469 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.317 2.024 4.198 1.00 0.00 H new ATOM 620 N SER A 43 -2.011 9.133 -1.508 1.00 0.00 N ATOM 621 CA SER A 43 -1.978 10.430 -2.179 1.00 0.00 C ATOM 622 C SER A 43 -3.397 10.893 -2.485 1.00 0.00 C ATOM 623 O SER A 43 -3.651 12.085 -2.657 1.00 0.00 O ATOM 624 CB SER A 43 -1.170 10.360 -3.479 1.00 0.00 C ATOM 625 OG SER A 43 0.183 10.722 -3.258 1.00 0.00 O ATOM 0 H SER A 43 -2.909 8.915 -1.075 1.00 0.00 H new ATOM 0 HA SER A 43 -1.495 11.143 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.218 9.350 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.611 11.025 -4.222 1.00 0.00 H new ATOM 0 HG SER A 43 0.564 10.153 -2.557 1.00 0.00 H new ATOM 631 N SER A 44 -4.323 9.936 -2.551 1.00 0.00 N ATOM 632 CA SER A 44 -5.718 10.246 -2.835 1.00 0.00 C ATOM 633 C SER A 44 -6.423 10.754 -1.582 1.00 0.00 C ATOM 634 O SER A 44 -6.994 9.976 -0.818 1.00 0.00 O ATOM 635 CB SER A 44 -6.439 9.008 -3.373 1.00 0.00 C ATOM 636 OG SER A 44 -5.633 8.317 -4.313 1.00 0.00 O ATOM 0 H SER A 44 -4.130 8.944 -2.412 1.00 0.00 H new ATOM 0 HA SER A 44 -5.745 11.030 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.692 8.343 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.377 9.305 -3.842 1.00 0.00 H new ATOM 0 HG SER A 44 -5.931 7.385 -4.377 1.00 0.00 H new ATOM 642 N MET A 45 -6.377 12.067 -1.377 1.00 0.00 N ATOM 643 CA MET A 45 -7.006 12.682 -0.215 1.00 0.00 C ATOM 644 C MET A 45 -8.452 13.063 -0.519 1.00 0.00 C ATOM 645 O MET A 45 -8.718 14.113 -1.104 1.00 0.00 O ATOM 646 CB MET A 45 -6.220 13.919 0.222 1.00 0.00 C ATOM 647 CG MET A 45 -5.244 13.650 1.357 1.00 0.00 C ATOM 648 SD MET A 45 -3.521 13.764 0.838 1.00 0.00 S ATOM 649 CE MET A 45 -2.680 13.467 2.392 1.00 0.00 C ATOM 0 H MET A 45 -5.910 12.725 -2.001 1.00 0.00 H new ATOM 0 HA MET A 45 -7.004 11.955 0.597 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.670 14.311 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.921 14.694 0.533 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.424 14.363 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.431 12.656 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.752 14.039 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.321 13.776 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.454 12.405 2.486 1.00 0.00 H new ATOM 659 N THR A 46 -9.380 12.203 -0.116 1.00 0.00 N ATOM 660 CA THR A 46 -10.799 12.449 -0.342 1.00 0.00 C ATOM 661 C THR A 46 -11.649 11.804 0.754 1.00 0.00 C ATOM 662 O THR A 46 -12.271 12.505 1.552 1.00 0.00 O ATOM 663 CB THR A 46 -11.218 11.929 -1.721 1.00 0.00 C ATOM 664 OG1 THR A 46 -10.234 11.059 -2.251 1.00 0.00 O ATOM 665 CG2 THR A 46 -11.445 13.033 -2.731 1.00 0.00 C ATOM 0 H THR A 46 -9.175 11.329 0.369 1.00 0.00 H new ATOM 0 HA THR A 46 -10.966 13.526 -0.309 1.00 0.00 H new ATOM 0 HB THR A 46 -12.160 11.406 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.522 10.737 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.739 12.598 -3.686 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.235 13.695 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.525 13.603 -2.860 1.00 0.00 H new ATOM 673 N PRO A 47 -11.689 10.458 0.815 1.00 0.00 N ATOM 674 CA PRO A 47 -12.471 9.744 1.829 1.00 0.00 C ATOM 675 C PRO A 47 -11.837 9.827 3.214 1.00 0.00 C ATOM 676 O PRO A 47 -12.523 10.059 4.208 1.00 0.00 O ATOM 677 CB PRO A 47 -12.466 8.300 1.326 1.00 0.00 C ATOM 678 CG PRO A 47 -11.207 8.182 0.542 1.00 0.00 C ATOM 679 CD PRO A 47 -10.982 9.528 -0.090 1.00 0.00 C ATOM 0 HA PRO A 47 -13.469 10.166 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -12.486 7.591 2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.339 8.092 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.371 7.909 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.292 7.404 -0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.921 9.766 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.385 9.569 -1.102 1.00 0.00 H new ATOM 687 N HIS A 48 -10.523 9.637 3.269 1.00 0.00 N ATOM 688 CA HIS A 48 -9.796 9.689 4.532 1.00 0.00 C ATOM 689 C HIS A 48 -8.308 9.929 4.295 1.00 0.00 C ATOM 690 O HIS A 48 -7.750 9.489 3.290 1.00 0.00 O ATOM 691 CB HIS A 48 -9.995 8.390 5.318 1.00 0.00 C ATOM 692 CG HIS A 48 -9.953 7.157 4.467 1.00 0.00 C ATOM 693 ND1 HIS A 48 -10.539 5.967 4.838 1.00 0.00 N ATOM 694 CD2 HIS A 48 -9.390 6.935 3.254 1.00 0.00 C ATOM 695 CE1 HIS A 48 -10.339 5.065 3.893 1.00 0.00 C ATOM 696 NE2 HIS A 48 -9.645 5.628 2.922 1.00 0.00 N ATOM 0 H HIS A 48 -9.940 9.446 2.454 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.193 10.521 5.114 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.223 8.318 6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -10.954 8.432 5.834 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.843 7.652 2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.685 4.042 3.912 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.346 5.166 2.063 1.00 0.00 H new ATOM 705 N TRP A 49 -7.670 10.631 5.227 1.00 0.00 N ATOM 706 CA TRP A 49 -6.247 10.928 5.119 1.00 0.00 C ATOM 707 C TRP A 49 -5.418 9.651 5.225 1.00 0.00 C ATOM 708 O TRP A 49 -5.249 9.099 6.312 1.00 0.00 O ATOM 709 CB TRP A 49 -5.826 11.919 6.208 1.00 0.00 C ATOM 710 CG TRP A 49 -5.711 13.329 5.716 1.00 0.00 C ATOM 711 CD1 TRP A 49 -6.736 14.163 5.374 1.00 0.00 C ATOM 712 CD2 TRP A 49 -4.503 14.071 5.510 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.240 15.378 4.968 1.00 0.00 N ATOM 714 CE2 TRP A 49 -4.874 15.346 5.043 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.146 13.783 5.676 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -3.938 16.329 4.741 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.216 14.761 5.374 1.00 0.00 C ATOM 718 CH2 TRP A 49 -2.616 16.021 4.911 1.00 0.00 C ATOM 0 H TRP A 49 -8.116 11.004 6.065 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.066 11.377 4.143 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.551 11.884 7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.867 11.607 6.622 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.784 13.905 5.416 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.799 16.174 4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.829 12.814 6.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.244 17.302 4.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.164 14.550 5.497 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.866 16.764 4.684 1.00 0.00 H new ATOM 729 N HIS A 50 -4.908 9.186 4.089 1.00 0.00 N ATOM 730 CA HIS A 50 -4.099 7.968 4.054 1.00 0.00 C ATOM 731 C HIS A 50 -2.995 8.008 5.109 1.00 0.00 C ATOM 732 O HIS A 50 -3.067 7.307 6.119 1.00 0.00 O ATOM 733 CB HIS A 50 -3.486 7.742 2.661 1.00 0.00 C ATOM 734 CG HIS A 50 -3.315 8.989 1.844 1.00 0.00 C ATOM 735 ND1 HIS A 50 -4.334 9.547 1.100 1.00 0.00 N ATOM 736 CD2 HIS A 50 -2.234 9.780 1.649 1.00 0.00 C ATOM 737 CE1 HIS A 50 -3.886 10.627 0.485 1.00 0.00 C ATOM 738 NE2 HIS A 50 -2.617 10.790 0.800 1.00 0.00 N ATOM 0 H HIS A 50 -5.039 9.632 3.181 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.764 7.134 4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.513 7.265 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.117 7.046 2.109 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.285 9.183 1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.253 9.643 2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.462 11.268 -0.166 1.00 0.00 H new ATOM 747 N ARG A 51 -1.976 8.831 4.875 1.00 0.00 N ATOM 748 CA ARG A 51 -0.866 8.957 5.815 1.00 0.00 C ATOM 749 C ARG A 51 0.196 9.914 5.287 1.00 0.00 C ATOM 750 O ARG A 51 0.010 10.547 4.249 1.00 0.00 O ATOM 751 CB ARG A 51 -0.240 7.587 6.091 1.00 0.00 C ATOM 752 CG ARG A 51 -0.059 6.738 4.843 1.00 0.00 C ATOM 753 CD ARG A 51 0.933 5.609 5.074 1.00 0.00 C ATOM 754 NE ARG A 51 0.466 4.663 6.087 1.00 0.00 N ATOM 755 CZ ARG A 51 0.796 4.723 7.376 1.00 0.00 C ATOM 756 NH1 ARG A 51 1.599 5.680 7.826 1.00 0.00 N ATOM 757 NH2 ARG A 51 0.320 3.819 8.222 1.00 0.00 N ATOM 0 H ARG A 51 -1.896 9.419 4.045 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.263 9.363 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.730 7.729 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.867 7.047 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.021 6.322 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.288 7.366 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.104 5.080 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.891 6.027 5.383 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.152 3.909 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.970 6.379 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.845 5.716 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.297 3.080 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.571 3.863 9.210 1.00 0.00 H new ATOM 771 N ARG A 52 1.311 10.012 6.011 1.00 0.00 N ATOM 772 CA ARG A 52 2.410 10.891 5.621 1.00 0.00 C ATOM 773 C ARG A 52 2.741 10.733 4.141 1.00 0.00 C ATOM 774 O ARG A 52 3.522 9.865 3.756 1.00 0.00 O ATOM 775 CB ARG A 52 3.651 10.596 6.466 1.00 0.00 C ATOM 776 CG ARG A 52 3.416 10.733 7.961 1.00 0.00 C ATOM 777 CD ARG A 52 3.862 12.095 8.472 1.00 0.00 C ATOM 778 NE ARG A 52 2.734 13.006 8.654 1.00 0.00 N ATOM 779 CZ ARG A 52 1.793 12.846 9.581 1.00 0.00 C ATOM 780 NH1 ARG A 52 1.839 11.811 10.412 1.00 0.00 N ATOM 781 NH2 ARG A 52 0.802 13.721 9.678 1.00 0.00 N ATOM 0 H ARG A 52 1.476 9.492 6.873 1.00 0.00 H new ATOM 0 HA ARG A 52 2.094 11.920 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.994 9.584 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.452 11.273 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.358 10.590 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.959 9.949 8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.386 11.973 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.571 12.532 7.769 1.00 0.00 H new ATOM 0 HE ARG A 52 2.664 13.813 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.598 11.134 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.115 11.693 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.761 14.517 9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.081 13.598 10.389 1.00 0.00 H new ATOM 795 N ILE A 53 2.127 11.572 3.317 1.00 0.00 N ATOM 796 CA ILE A 53 2.335 11.532 1.877 1.00 0.00 C ATOM 797 C ILE A 53 3.806 11.634 1.509 1.00 0.00 C ATOM 798 O ILE A 53 4.633 12.030 2.328 1.00 0.00 O ATOM 799 CB ILE A 53 1.573 12.666 1.169 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.942 14.018 1.778 1.00 0.00 C ATOM 801 CG2 ILE A 53 0.081 12.416 1.253 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.776 15.181 0.827 1.00 0.00 C ATOM 0 H ILE A 53 1.476 12.294 3.626 1.00 0.00 H new ATOM 0 HA ILE A 53 1.952 10.567 1.544 1.00 0.00 H new ATOM 0 HB ILE A 53 1.858 12.686 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.324 14.190 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.977 13.983 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.452 13.223 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.157 11.468 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.223 12.377 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.057 16.106 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.415 15.033 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.736 15.244 0.507 1.00 0.00 H new ATOM 814 N PRO A 54 4.138 11.267 0.259 1.00 0.00 N ATOM 815 CA PRO A 54 5.511 11.306 -0.268 1.00 0.00 C ATOM 816 C PRO A 54 6.150 12.689 -0.162 1.00 0.00 C ATOM 817 O PRO A 54 6.481 13.313 -1.170 1.00 0.00 O ATOM 818 CB PRO A 54 5.327 10.918 -1.742 1.00 0.00 C ATOM 819 CG PRO A 54 3.889 11.175 -2.016 1.00 0.00 C ATOM 820 CD PRO A 54 3.196 10.776 -0.761 1.00 0.00 C ATOM 0 HA PRO A 54 6.177 10.649 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.968 11.513 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.583 9.872 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.711 12.224 -2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.536 10.592 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.213 11.239 -0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.048 9.698 -0.698 1.00 0.00 H new ATOM 828 N LEU A 55 6.320 13.160 1.065 1.00 0.00 N ATOM 829 CA LEU A 55 6.920 14.465 1.310 1.00 0.00 C ATOM 830 C LEU A 55 7.697 14.471 2.624 1.00 0.00 C ATOM 831 O LEU A 55 8.733 15.125 2.740 1.00 0.00 O ATOM 832 CB LEU A 55 5.839 15.547 1.335 1.00 0.00 C ATOM 833 CG LEU A 55 6.336 16.952 1.689 1.00 0.00 C ATOM 834 CD1 LEU A 55 6.362 17.839 0.453 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.461 17.570 2.771 1.00 0.00 C ATOM 0 H LEU A 55 6.050 12.656 1.910 1.00 0.00 H new ATOM 0 HA LEU A 55 7.617 14.676 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.360 15.583 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.073 15.257 2.054 1.00 0.00 H new ATOM 0 HG LEU A 55 7.353 16.869 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.718 18.833 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.030 17.406 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.357 17.915 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.828 18.568 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.434 17.638 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.494 16.947 3.665 1.00 0.00 H new ATOM 847 N TYR A 56 7.189 13.740 3.612 1.00 0.00 N ATOM 848 CA TYR A 56 7.833 13.662 4.918 1.00 0.00 C ATOM 849 C TYR A 56 8.757 12.453 4.998 1.00 0.00 C ATOM 850 O TYR A 56 9.889 12.559 5.470 1.00 0.00 O ATOM 851 CB TYR A 56 6.783 13.590 6.032 1.00 0.00 C ATOM 852 CG TYR A 56 5.482 14.277 5.690 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.509 13.622 4.950 1.00 0.00 C ATOM 854 CD2 TYR A 56 5.228 15.579 6.102 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.321 14.242 4.627 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.038 16.207 5.784 1.00 0.00 C ATOM 857 CZ TYR A 56 3.088 15.534 5.047 1.00 0.00 C ATOM 858 OH TYR A 56 1.902 16.155 4.727 1.00 0.00 O ATOM 0 H TYR A 56 6.332 13.193 3.532 1.00 0.00 H new ATOM 0 HA TYR A 56 8.430 14.564 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.581 12.544 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.194 14.040 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.685 12.609 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.971 16.109 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.576 13.718 4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.854 17.220 6.111 1.00 0.00 H new ATOM 0 HH TYR A 56 1.896 17.061 5.100 1.00 0.00 H new ATOM 868 N TYR A 57 8.277 11.300 4.533 1.00 0.00 N ATOM 869 CA TYR A 57 9.082 10.083 4.563 1.00 0.00 C ATOM 870 C TYR A 57 10.060 10.051 3.388 1.00 0.00 C ATOM 871 O TYR A 57 9.820 10.674 2.354 1.00 0.00 O ATOM 872 CB TYR A 57 8.189 8.840 4.555 1.00 0.00 C ATOM 873 CG TYR A 57 7.427 8.630 3.267 1.00 0.00 C ATOM 874 CD1 TYR A 57 7.987 7.914 2.217 1.00 0.00 C ATOM 875 CD2 TYR A 57 6.145 9.135 3.105 1.00 0.00 C ATOM 876 CE1 TYR A 57 7.290 7.712 1.041 1.00 0.00 C ATOM 877 CE2 TYR A 57 5.443 8.935 1.932 1.00 0.00 C ATOM 878 CZ TYR A 57 6.019 8.223 0.904 1.00 0.00 C ATOM 879 OH TYR A 57 5.323 8.021 -0.266 1.00 0.00 O ATOM 0 H TYR A 57 7.345 11.185 4.135 1.00 0.00 H new ATOM 0 HA TYR A 57 9.659 10.082 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.806 7.962 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.477 8.913 5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.983 7.509 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.688 9.693 3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.741 7.155 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.446 9.336 1.822 1.00 0.00 H new ATOM 0 HH TYR A 57 5.758 7.315 -0.788 1.00 0.00 H new ATOM 889 N PRO A 58 11.189 9.334 3.541 1.00 0.00 N ATOM 890 CA PRO A 58 12.219 9.237 2.496 1.00 0.00 C ATOM 891 C PRO A 58 11.752 8.467 1.261 1.00 0.00 C ATOM 892 O PRO A 58 12.345 7.451 0.895 1.00 0.00 O ATOM 893 CB PRO A 58 13.363 8.492 3.190 1.00 0.00 C ATOM 894 CG PRO A 58 12.709 7.728 4.289 1.00 0.00 C ATOM 895 CD PRO A 58 11.559 8.577 4.751 1.00 0.00 C ATOM 0 HA PRO A 58 12.495 10.221 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.879 7.826 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.108 9.186 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.361 6.757 3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.408 7.540 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.730 7.969 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.850 9.239 5.567 1.00 0.00 H new ATOM 903 N ASN A 59 10.696 8.972 0.619 1.00 0.00 N ATOM 904 CA ASN A 59 10.129 8.365 -0.593 1.00 0.00 C ATOM 905 C ASN A 59 10.512 6.890 -0.747 1.00 0.00 C ATOM 906 O ASN A 59 11.260 6.526 -1.654 1.00 0.00 O ATOM 907 CB ASN A 59 10.579 9.149 -1.828 1.00 0.00 C ATOM 908 CG ASN A 59 10.402 10.646 -1.659 1.00 0.00 C ATOM 909 OD1 ASN A 59 11.259 11.433 -2.062 1.00 0.00 O ATOM 910 ND2 ASN A 59 9.285 11.047 -1.062 1.00 0.00 N ATOM 0 H ASN A 59 10.208 9.814 0.923 1.00 0.00 H new ATOM 0 HA ASN A 59 9.044 8.409 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.627 8.931 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.009 8.814 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.111 12.042 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.602 10.360 -0.744 1.00 0.00 H new ATOM 917 N ALA A 60 9.990 6.048 0.140 1.00 0.00 N ATOM 918 CA ALA A 60 10.276 4.619 0.097 1.00 0.00 C ATOM 919 C ALA A 60 9.908 4.028 -1.261 1.00 0.00 C ATOM 920 O ALA A 60 10.748 3.441 -1.942 1.00 0.00 O ATOM 921 CB ALA A 60 9.531 3.897 1.209 1.00 0.00 C ATOM 0 H ALA A 60 9.367 6.331 0.897 1.00 0.00 H new ATOM 0 HA ALA A 60 11.347 4.483 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.754 2.831 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.845 4.293 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.459 4.048 1.086 1.00 0.00 H new ATOM 927 N GLY A 61 8.646 4.190 -1.649 1.00 0.00 N ATOM 928 CA GLY A 61 8.192 3.670 -2.925 1.00 0.00 C ATOM 929 C GLY A 61 6.893 2.897 -2.816 1.00 0.00 C ATOM 930 O GLY A 61 6.844 1.707 -3.126 1.00 0.00 O ATOM 0 H GLY A 61 7.932 4.671 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.060 4.497 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.962 3.021 -3.342 1.00 0.00 H new ATOM 934 N LEU A 62 5.835 3.576 -2.381 1.00 0.00 N ATOM 935 CA LEU A 62 4.529 2.942 -2.242 1.00 0.00 C ATOM 936 C LEU A 62 3.866 2.781 -3.607 1.00 0.00 C ATOM 937 O LEU A 62 3.784 3.732 -4.383 1.00 0.00 O ATOM 938 CB LEU A 62 3.631 3.763 -1.315 1.00 0.00 C ATOM 939 CG LEU A 62 4.305 4.273 -0.040 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.661 5.572 0.421 1.00 0.00 C ATOM 941 CD2 LEU A 62 4.233 3.223 1.058 1.00 0.00 C ATOM 0 H LEU A 62 5.857 4.562 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 62 4.673 1.954 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.247 4.618 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.772 3.154 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 62 5.354 4.469 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.153 5.920 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.764 6.326 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.604 5.402 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.717 3.603 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.190 2.996 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.740 2.316 0.728 1.00 0.00 H new ATOM 953 N THR A 63 3.405 1.569 -3.899 1.00 0.00 N ATOM 954 CA THR A 63 2.759 1.285 -5.176 1.00 0.00 C ATOM 955 C THR A 63 1.305 1.754 -5.178 1.00 0.00 C ATOM 956 O THR A 63 0.379 0.945 -5.229 1.00 0.00 O ATOM 957 CB THR A 63 2.830 -0.213 -5.486 1.00 0.00 C ATOM 958 OG1 THR A 63 3.061 -0.962 -4.305 1.00 0.00 O ATOM 959 CG2 THR A 63 3.920 -0.566 -6.477 1.00 0.00 C ATOM 0 H THR A 63 3.466 0.769 -3.270 1.00 0.00 H new ATOM 0 HA THR A 63 3.293 1.835 -5.951 1.00 0.00 H new ATOM 0 HB THR A 63 1.865 -0.463 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.101 -1.916 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.917 -1.642 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.740 -0.044 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.888 -0.267 -6.075 1.00 0.00 H new ATOM 967 N ARG A 64 1.115 3.070 -5.127 1.00 0.00 N ATOM 968 CA ARG A 64 -0.221 3.656 -5.129 1.00 0.00 C ATOM 969 C ARG A 64 -1.121 2.997 -4.077 1.00 0.00 C ATOM 970 O ARG A 64 -0.965 3.245 -2.882 1.00 0.00 O ATOM 971 CB ARG A 64 -0.842 3.549 -6.526 1.00 0.00 C ATOM 972 CG ARG A 64 -0.143 4.404 -7.569 1.00 0.00 C ATOM 973 CD ARG A 64 1.093 3.711 -8.121 1.00 0.00 C ATOM 974 NE ARG A 64 1.262 3.952 -9.552 1.00 0.00 N ATOM 975 CZ ARG A 64 2.018 3.198 -10.346 1.00 0.00 C ATOM 976 NH1 ARG A 64 2.676 2.155 -9.855 1.00 0.00 N ATOM 977 NH2 ARG A 64 2.115 3.486 -11.637 1.00 0.00 N ATOM 0 H ARG A 64 1.872 3.752 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.132 4.710 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.818 2.507 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.891 3.842 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.833 4.622 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.141 5.359 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.975 4.064 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.019 2.639 -7.940 1.00 0.00 H new ATOM 0 HE ARG A 64 0.772 4.745 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.604 1.927 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.254 1.581 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.610 4.285 -12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.694 2.908 -12.246 1.00 0.00 H new ATOM 991 N ASN A 65 -2.063 2.161 -4.518 1.00 0.00 N ATOM 992 CA ASN A 65 -2.975 1.487 -3.601 1.00 0.00 C ATOM 993 C ASN A 65 -2.734 -0.017 -3.605 1.00 0.00 C ATOM 994 O ASN A 65 -3.675 -0.809 -3.675 1.00 0.00 O ATOM 995 CB ASN A 65 -4.426 1.786 -3.986 1.00 0.00 C ATOM 996 CG ASN A 65 -4.797 1.217 -5.343 1.00 0.00 C ATOM 997 OD1 ASN A 65 -3.970 1.164 -6.253 1.00 0.00 O ATOM 998 ND2 ASN A 65 -6.046 0.788 -5.484 1.00 0.00 N ATOM 0 H ASN A 65 -2.212 1.937 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.788 1.863 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.092 1.373 -3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.582 2.865 -3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.353 0.395 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.698 0.851 -4.702 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.468 -0.407 -3.531 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.105 -1.815 -3.528 1.00 0.00 C ATOM 1007 C TYR A 66 -1.042 -2.370 -2.109 1.00 0.00 C ATOM 1008 O TYR A 66 -0.007 -2.269 -1.451 1.00 0.00 O ATOM 1009 CB TYR A 66 0.243 -2.014 -4.228 1.00 0.00 C ATOM 1010 CG TYR A 66 0.128 -2.273 -5.715 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -1.019 -1.926 -6.420 1.00 0.00 C ATOM 1012 CD2 TYR A 66 1.170 -2.867 -6.416 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.124 -2.162 -7.776 1.00 0.00 C ATOM 1014 CE2 TYR A 66 1.073 -3.106 -7.774 1.00 0.00 C ATOM 1015 CZ TYR A 66 -0.075 -2.753 -8.448 1.00 0.00 C ATOM 1016 OH TYR A 66 -0.175 -2.990 -9.800 1.00 0.00 O ATOM 0 H TYR A 66 -0.676 0.233 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.877 -2.361 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.858 -1.128 -4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.763 -2.851 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.843 -1.463 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.071 -3.147 -5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.023 -1.885 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.893 -3.567 -8.304 1.00 0.00 H new ATOM 0 HH TYR A 66 0.650 -3.410 -10.120 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.156 -2.954 -1.643 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.233 -3.532 -0.294 1.00 0.00 C ATOM 1028 C CYS A 67 -0.845 -3.892 0.237 1.00 0.00 C ATOM 1029 O CYS A 67 -0.174 -4.787 -0.278 1.00 0.00 O ATOM 1030 CB CYS A 67 -3.171 -4.752 -0.284 1.00 0.00 C ATOM 1031 SG CYS A 67 -2.402 -6.340 -0.750 1.00 0.00 S ATOM 0 H CYS A 67 -3.018 -3.038 -2.182 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.649 -2.779 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.596 -4.853 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.000 -4.556 -0.964 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.410 -3.157 1.250 1.00 0.00 N ATOM 1037 CA ARG A 68 0.912 -3.372 1.832 1.00 0.00 C ATOM 1038 C ARG A 68 1.042 -2.683 3.188 1.00 0.00 C ATOM 1039 O ARG A 68 0.090 -2.083 3.687 1.00 0.00 O ATOM 1040 CB ARG A 68 1.984 -2.839 0.881 1.00 0.00 C ATOM 1041 CG ARG A 68 1.784 -1.374 0.511 1.00 0.00 C ATOM 1042 CD ARG A 68 2.535 -0.980 -0.759 1.00 0.00 C ATOM 1043 NE ARG A 68 2.930 -2.133 -1.569 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.064 -2.808 -1.395 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.912 -2.465 -0.432 1.00 0.00 N ATOM 1046 NH2 ARG A 68 4.349 -3.835 -2.183 1.00 0.00 N ATOM 0 H ARG A 68 -0.949 -2.409 1.686 1.00 0.00 H new ATOM 0 HA ARG A 68 1.047 -4.443 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.963 -2.960 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.985 -3.440 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.720 -1.180 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.119 -0.746 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.906 -0.321 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.424 -0.412 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 68 2.299 -2.437 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.696 -1.679 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.779 -2.988 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.700 -4.107 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.218 -4.353 -2.051 1.00 0.00 H new ATOM 1060 N ASN A 69 2.234 -2.770 3.773 1.00 0.00 N ATOM 1061 CA ASN A 69 2.504 -2.150 5.065 1.00 0.00 C ATOM 1062 C ASN A 69 3.872 -1.467 5.055 1.00 0.00 C ATOM 1063 O ASN A 69 4.802 -1.930 4.393 1.00 0.00 O ATOM 1064 CB ASN A 69 2.442 -3.191 6.185 1.00 0.00 C ATOM 1065 CG ASN A 69 3.511 -4.258 6.059 1.00 0.00 C ATOM 1066 OD1 ASN A 69 4.341 -4.219 5.151 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.494 -5.221 6.975 1.00 0.00 N ATOM 0 H ASN A 69 3.030 -3.266 3.371 1.00 0.00 H new ATOM 0 HA ASN A 69 1.738 -1.396 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.548 -2.689 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.460 -3.665 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.188 -5.968 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.787 -5.213 7.710 1.00 0.00 H new ATOM 1074 N PRO A 70 4.013 -0.347 5.786 1.00 0.00 N ATOM 1075 CA PRO A 70 5.271 0.402 5.851 1.00 0.00 C ATOM 1076 C PRO A 70 6.459 -0.476 6.237 1.00 0.00 C ATOM 1077 O PRO A 70 7.456 -0.534 5.517 1.00 0.00 O ATOM 1078 CB PRO A 70 5.017 1.470 6.926 1.00 0.00 C ATOM 1079 CG PRO A 70 3.746 1.073 7.601 1.00 0.00 C ATOM 1080 CD PRO A 70 2.962 0.282 6.595 1.00 0.00 C ATOM 0 HA PRO A 70 5.534 0.820 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.841 1.512 7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.930 2.461 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.948 0.477 8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.188 1.951 7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.322 -0.459 7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.316 0.921 5.993 1.00 0.00 H new ATOM 1088 N ASP A 71 6.355 -1.155 7.377 1.00 0.00 N ATOM 1089 CA ASP A 71 7.433 -2.021 7.845 1.00 0.00 C ATOM 1090 C ASP A 71 7.149 -3.490 7.497 1.00 0.00 C ATOM 1091 O ASP A 71 7.126 -3.852 6.320 1.00 0.00 O ATOM 1092 CB ASP A 71 7.658 -1.831 9.350 1.00 0.00 C ATOM 1093 CG ASP A 71 6.361 -1.770 10.135 1.00 0.00 C ATOM 1094 OD1 ASP A 71 5.735 -2.833 10.331 1.00 0.00 O ATOM 1095 OD2 ASP A 71 5.975 -0.659 10.557 1.00 0.00 O ATOM 0 H ASP A 71 5.540 -1.123 7.990 1.00 0.00 H new ATOM 0 HA ASP A 71 8.352 -1.738 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.268 -2.651 9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.221 -0.913 9.516 1.00 0.00 H new ATOM 1100 N ALA A 72 6.941 -4.341 8.506 1.00 0.00 N ATOM 1101 CA ALA A 72 6.672 -5.754 8.259 1.00 0.00 C ATOM 1102 C ALA A 72 6.004 -6.414 9.464 1.00 0.00 C ATOM 1103 O ALA A 72 5.833 -5.791 10.511 1.00 0.00 O ATOM 1104 CB ALA A 72 7.962 -6.478 7.913 1.00 0.00 C ATOM 0 H ALA A 72 6.954 -4.076 9.491 1.00 0.00 H new ATOM 0 HA ALA A 72 5.984 -5.823 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.750 -7.532 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.399 -6.035 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.664 -6.387 8.742 1.00 0.00 H new ATOM 1110 N GLU A 73 5.634 -7.683 9.304 1.00 0.00 N ATOM 1111 CA GLU A 73 4.987 -8.443 10.374 1.00 0.00 C ATOM 1112 C GLU A 73 4.504 -9.798 9.858 1.00 0.00 C ATOM 1113 O GLU A 73 5.119 -10.831 10.121 1.00 0.00 O ATOM 1114 CB GLU A 73 3.809 -7.655 10.961 1.00 0.00 C ATOM 1115 CG GLU A 73 3.916 -7.430 12.460 1.00 0.00 C ATOM 1116 CD GLU A 73 3.477 -6.039 12.872 1.00 0.00 C ATOM 1117 OE1 GLU A 73 3.777 -5.078 12.134 1.00 0.00 O ATOM 1118 OE2 GLU A 73 2.835 -5.910 13.936 1.00 0.00 O ATOM 0 H GLU A 73 5.771 -8.209 8.441 1.00 0.00 H new ATOM 0 HA GLU A 73 5.723 -8.611 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.743 -6.689 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.883 -8.188 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.305 -8.169 12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.947 -7.590 12.775 1.00 0.00 H new ATOM 1125 N ILE A 74 3.400 -9.779 9.118 1.00 0.00 N ATOM 1126 CA ILE A 74 2.825 -10.996 8.553 1.00 0.00 C ATOM 1127 C ILE A 74 1.823 -10.651 7.460 1.00 0.00 C ATOM 1128 O ILE A 74 1.827 -11.246 6.382 1.00 0.00 O ATOM 1129 CB ILE A 74 2.118 -11.853 9.623 1.00 0.00 C ATOM 1130 CG1 ILE A 74 1.411 -10.961 10.650 1.00 0.00 C ATOM 1131 CG2 ILE A 74 3.117 -12.780 10.299 1.00 0.00 C ATOM 1132 CD1 ILE A 74 0.792 -11.727 11.801 1.00 0.00 C ATOM 0 H ILE A 74 2.883 -8.929 8.894 1.00 0.00 H new ATOM 0 HA ILE A 74 3.651 -11.573 8.138 1.00 0.00 H new ATOM 0 HB ILE A 74 1.360 -12.465 9.135 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.128 -10.242 11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.632 -10.389 10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.605 -13.379 11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.565 -13.438 9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.898 -12.188 10.776 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.311 -11.029 12.486 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.050 -12.427 11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.569 -12.278 12.331 1.00 0.00 H new ATOM 1144 N ARG A 75 0.970 -9.675 7.749 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.039 -9.226 6.803 1.00 0.00 C ATOM 1146 C ARG A 75 -0.069 -7.702 6.758 1.00 0.00 C ATOM 1147 O ARG A 75 0.193 -7.046 7.764 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.413 -9.771 7.203 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.201 -10.367 6.045 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.406 -9.510 5.686 1.00 0.00 C ATOM 1151 NE ARG A 75 -4.646 -10.285 5.673 1.00 0.00 N ATOM 1152 CZ ARG A 75 -5.150 -10.900 6.740 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -4.531 -10.832 7.913 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -6.279 -11.588 6.634 1.00 0.00 N ATOM 0 H ARG A 75 0.959 -9.177 8.639 1.00 0.00 H new ATOM 0 HA ARG A 75 0.212 -9.602 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.281 -10.534 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.996 -8.966 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.552 -10.465 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.534 -11.371 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.496 -8.694 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.251 -9.058 4.706 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.156 -10.359 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.662 -10.305 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.925 -11.307 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.759 -11.645 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.667 -12.060 7.451 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.379 -7.112 5.593 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.431 -5.654 5.437 1.00 0.00 C ATOM 1170 C PRO A 76 -1.511 -5.012 6.304 1.00 0.00 C ATOM 1171 O PRO A 76 -2.326 -5.705 6.912 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.753 -5.460 3.953 1.00 0.00 C ATOM 1173 CG PRO A 76 -1.376 -6.743 3.531 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.695 -7.809 4.336 1.00 0.00 C ATOM 0 HA PRO A 76 0.501 -5.182 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.432 -4.621 3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.148 -5.249 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.450 -6.737 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.240 -6.912 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.345 -8.669 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.203 -8.179 3.841 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.509 -3.682 6.355 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.489 -2.944 7.149 1.00 0.00 C ATOM 1184 C TRP A 77 -2.620 -1.510 6.663 1.00 0.00 C ATOM 1185 O TRP A 77 -2.045 -0.590 7.244 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.116 -2.958 8.639 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.699 -3.363 8.909 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.209 -4.633 8.968 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.410 -2.493 9.162 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.138 -4.610 9.236 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.542 -3.308 9.360 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.557 -1.105 9.239 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.802 -2.781 9.628 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.809 -0.583 9.506 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.917 -1.419 9.697 1.00 0.00 C ATOM 0 H TRP A 77 -0.841 -3.094 5.857 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.450 -3.443 7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.284 -1.964 9.054 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.784 -3.641 9.164 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.795 -5.529 8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.739 -5.429 9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.291 -0.453 9.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.658 -3.423 9.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.935 0.488 9.568 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.882 -0.980 9.903 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.394 -1.327 5.603 1.00 0.00 N ATOM 1207 CA CYS A 78 -3.620 -0.003 5.049 1.00 0.00 C ATOM 1208 C CYS A 78 -5.109 0.230 4.834 1.00 0.00 C ATOM 1209 O CYS A 78 -5.877 -0.715 4.655 1.00 0.00 O ATOM 1210 CB CYS A 78 -2.851 0.177 3.741 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.166 -1.110 2.497 1.00 0.00 S ATOM 0 H CYS A 78 -3.875 -2.079 5.111 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.251 0.736 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.107 1.147 3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.784 0.197 3.962 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.513 1.491 4.872 1.00 0.00 N ATOM 1217 CA TYR A 79 -6.915 1.853 4.705 1.00 0.00 C ATOM 1218 C TYR A 79 -7.463 1.336 3.377 1.00 0.00 C ATOM 1219 O TYR A 79 -6.754 0.677 2.615 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.082 3.370 4.801 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.366 4.000 5.985 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.845 3.224 7.022 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.214 5.379 6.065 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.198 3.808 8.094 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.567 5.967 7.135 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.062 5.178 8.145 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.418 5.762 9.213 1.00 0.00 O ATOM 0 H TYR A 79 -4.888 2.284 5.017 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.486 1.384 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.711 3.824 3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.145 3.604 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.949 2.150 6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.609 6.003 5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.801 3.193 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.458 7.041 7.179 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.406 6.735 9.096 1.00 0.00 H new ATOM 1237 N THR A 80 -8.735 1.622 3.112 1.00 0.00 N ATOM 1238 CA THR A 80 -9.383 1.171 1.888 1.00 0.00 C ATOM 1239 C THR A 80 -10.062 2.325 1.159 1.00 0.00 C ATOM 1240 O THR A 80 -10.138 3.441 1.672 1.00 0.00 O ATOM 1241 CB THR A 80 -10.412 0.086 2.212 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.637 0.665 2.624 1.00 0.00 O ATOM 1243 CG2 THR A 80 -9.963 -0.861 3.306 1.00 0.00 C ATOM 0 H THR A 80 -9.337 2.165 3.731 1.00 0.00 H new ATOM 0 HA THR A 80 -8.614 0.763 1.232 1.00 0.00 H new ATOM 0 HB THR A 80 -10.532 -0.482 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.267 0.666 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.740 -1.605 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.045 -1.362 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.781 -0.299 4.222 1.00 0.00 H new ATOM 1251 N MET A 81 -10.558 2.042 -0.041 1.00 0.00 N ATOM 1252 CA MET A 81 -11.238 3.048 -0.847 1.00 0.00 C ATOM 1253 C MET A 81 -12.689 3.197 -0.405 1.00 0.00 C ATOM 1254 O MET A 81 -13.254 4.291 -0.445 1.00 0.00 O ATOM 1255 CB MET A 81 -11.177 2.669 -2.327 1.00 0.00 C ATOM 1256 CG MET A 81 -11.811 3.700 -3.247 1.00 0.00 C ATOM 1257 SD MET A 81 -11.099 5.344 -3.043 1.00 0.00 S ATOM 1258 CE MET A 81 -9.350 4.968 -3.132 1.00 0.00 C ATOM 0 H MET A 81 -10.501 1.122 -0.477 1.00 0.00 H new ATOM 0 HA MET A 81 -10.732 4.003 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.135 2.530 -2.615 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.678 1.711 -2.469 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.689 3.381 -4.282 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.882 3.746 -3.052 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.801 5.861 -3.430 1.00 0.00 H new ATOM 0 HE2 MET A 81 -8.999 4.635 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.184 4.179 -3.865 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.285 2.088 0.024 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.667 2.086 0.481 1.00 0.00 C ATOM 1270 C ASP A 82 -14.845 3.040 1.659 1.00 0.00 C ATOM 1271 O ASP A 82 -14.265 2.833 2.725 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.085 0.672 0.890 1.00 0.00 C ATOM 1273 CG ASP A 82 -16.588 0.479 0.845 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -17.171 0.599 -0.253 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -17.184 0.207 1.909 1.00 0.00 O ATOM 0 H ASP A 82 -12.828 1.177 0.064 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.300 2.423 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.608 -0.051 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.725 0.467 1.898 1.00 0.00 H new ATOM 1280 N PRO A 83 -15.649 4.102 1.486 1.00 0.00 N ATOM 1281 CA PRO A 83 -15.896 5.089 2.547 1.00 0.00 C ATOM 1282 C PRO A 83 -16.737 4.529 3.692 1.00 0.00 C ATOM 1283 O PRO A 83 -17.726 5.137 4.105 1.00 0.00 O ATOM 1284 CB PRO A 83 -16.654 6.203 1.822 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.313 5.523 0.673 1.00 0.00 C ATOM 1286 CD PRO A 83 -16.377 4.430 0.247 1.00 0.00 C ATOM 0 HA PRO A 83 -14.969 5.416 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.387 6.675 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -15.977 6.987 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.281 5.116 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -17.493 6.223 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.917 3.567 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.701 4.764 -0.540 1.00 0.00 H new ATOM 1294 N SER A 84 -16.337 3.369 4.208 1.00 0.00 N ATOM 1295 CA SER A 84 -17.050 2.731 5.309 1.00 0.00 C ATOM 1296 C SER A 84 -16.158 1.711 6.013 1.00 0.00 C ATOM 1297 O SER A 84 -16.648 0.764 6.628 1.00 0.00 O ATOM 1298 CB SER A 84 -18.319 2.049 4.796 1.00 0.00 C ATOM 1299 OG SER A 84 -19.434 2.922 4.871 1.00 0.00 O ATOM 0 H SER A 84 -15.521 2.852 3.880 1.00 0.00 H new ATOM 0 HA SER A 84 -17.327 3.503 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.172 1.730 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.516 1.152 5.383 1.00 0.00 H new ATOM 0 HG SER A 84 -19.155 3.830 4.631 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.845 1.909 5.916 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.885 1.007 6.538 1.00 0.00 C ATOM 1307 C VAL A 85 -12.770 1.785 7.221 1.00 0.00 C ATOM 1308 O VAL A 85 -12.658 1.785 8.447 1.00 0.00 O ATOM 1309 CB VAL A 85 -13.253 0.053 5.506 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.425 -1.019 6.200 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.320 -0.578 4.626 1.00 0.00 C ATOM 0 H VAL A 85 -14.423 2.688 5.411 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.436 0.424 7.276 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.590 0.637 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.988 -1.682 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.629 -0.548 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.064 -1.597 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.849 -1.247 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.015 -1.144 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.862 0.204 4.094 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.941 2.444 6.410 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.817 3.232 6.912 1.00 0.00 C ATOM 1323 C ARG A 86 -9.606 2.348 7.211 1.00 0.00 C ATOM 1324 O ARG A 86 -8.483 2.839 7.301 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.213 4.018 8.166 1.00 0.00 C ATOM 1326 CG ARG A 86 -10.330 5.225 8.432 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.144 5.462 9.923 1.00 0.00 C ATOM 1328 NE ARG A 86 -11.096 6.440 10.444 1.00 0.00 N ATOM 1329 CZ ARG A 86 -10.964 7.756 10.295 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -9.921 8.256 9.643 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -11.875 8.575 10.801 1.00 0.00 N ATOM 0 H ARG A 86 -12.029 2.446 5.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.542 3.938 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.246 4.350 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.174 3.353 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.358 5.076 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.773 6.109 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.263 4.520 10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.128 5.809 10.111 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.910 6.094 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.216 7.631 9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.825 9.265 9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.677 8.197 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.774 9.584 10.687 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.835 1.044 7.367 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.753 0.111 7.657 1.00 0.00 C ATOM 1347 C TRP A 87 -9.197 -1.331 7.390 1.00 0.00 C ATOM 1348 O TRP A 87 -10.297 -1.730 7.769 1.00 0.00 O ATOM 1349 CB TRP A 87 -8.284 0.299 9.105 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.763 -0.945 9.746 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.489 -2.040 10.106 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.408 -1.221 10.107 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.669 -2.985 10.666 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.385 -2.506 10.677 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -5.210 -0.507 10.001 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.213 -3.090 11.138 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -4.047 -1.091 10.462 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.055 -2.373 11.023 1.00 0.00 C ATOM 0 H TRP A 87 -10.757 0.614 7.297 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.912 0.318 6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.504 1.060 9.126 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.116 0.679 9.698 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.555 -2.148 9.970 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.966 -3.896 11.017 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.195 0.482 9.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.216 -4.078 11.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.116 -0.549 10.388 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.128 -2.804 11.372 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.333 -2.101 6.732 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.630 -3.495 6.406 1.00 0.00 C ATOM 1371 C GLU A 88 -7.355 -4.255 6.050 1.00 0.00 C ATOM 1372 O GLU A 88 -6.367 -3.661 5.619 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.612 -3.556 5.245 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.642 -4.662 5.381 1.00 0.00 C ATOM 1375 CD GLU A 88 -11.908 -4.201 6.079 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -11.800 -3.601 7.168 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -13.007 -4.444 5.536 1.00 0.00 O ATOM 0 H GLU A 88 -7.418 -1.782 6.413 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.076 -3.966 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.127 -2.599 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.057 -3.699 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.895 -5.041 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.207 -5.492 5.938 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.389 -5.570 6.223 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.238 -6.414 5.908 1.00 0.00 C ATOM 1386 C TYR A 89 -6.305 -6.919 4.473 1.00 0.00 C ATOM 1387 O TYR A 89 -7.357 -7.361 4.017 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.167 -7.600 6.867 1.00 0.00 C ATOM 1389 CG TYR A 89 -5.771 -7.207 8.265 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.534 -6.303 8.985 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -4.633 -7.733 8.862 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.181 -5.934 10.263 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.269 -7.369 10.144 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.046 -6.468 10.842 1.00 0.00 C ATOM 1395 OH TYR A 89 -4.689 -6.104 12.120 1.00 0.00 O ATOM 0 H TYR A 89 -8.199 -6.077 6.579 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.340 -5.807 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.138 -8.094 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.451 -8.327 6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.421 -5.881 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.023 -8.437 8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.789 -5.230 10.811 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.382 -7.787 10.597 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.982 -5.427 12.082 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.184 -6.868 3.759 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.159 -7.343 2.379 1.00 0.00 C ATOM 1407 C CYS A 90 -5.717 -8.760 2.302 1.00 0.00 C ATOM 1408 O CYS A 90 -5.680 -9.500 3.285 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.738 -7.317 1.810 1.00 0.00 C ATOM 1410 SG CYS A 90 -3.647 -7.738 0.038 1.00 0.00 S ATOM 0 H CYS A 90 -4.295 -6.509 4.106 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.780 -6.674 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.315 -6.324 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.119 -8.016 2.372 1.00 0.00 H new ATOM 1415 N ASN A 91 -6.230 -9.138 1.137 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.785 -10.473 0.957 1.00 0.00 C ATOM 1417 C ASN A 91 -5.669 -11.511 0.996 1.00 0.00 C ATOM 1418 O ASN A 91 -5.270 -12.061 -0.030 1.00 0.00 O ATOM 1419 CB ASN A 91 -7.555 -10.560 -0.356 1.00 0.00 C ATOM 1420 CG ASN A 91 -6.678 -10.271 -1.556 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -6.139 -11.183 -2.181 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -6.531 -8.995 -1.886 1.00 0.00 N ATOM 0 H ASN A 91 -6.273 -8.544 0.309 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.480 -10.677 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.987 -11.556 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.384 -9.853 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.953 -8.739 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.996 -8.270 -1.340 1.00 0.00 H new ATOM 1429 N LEU A 92 -5.162 -11.747 2.197 1.00 0.00 N ATOM 1430 CA LEU A 92 -4.079 -12.677 2.430 1.00 0.00 C ATOM 1431 C LEU A 92 -4.238 -13.326 3.807 1.00 0.00 C ATOM 1432 O LEU A 92 -4.380 -12.637 4.813 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.754 -11.919 2.348 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.956 -12.136 1.061 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -2.635 -11.453 -0.116 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -0.536 -11.622 1.231 1.00 0.00 C ATOM 0 H LEU A 92 -5.499 -11.290 3.044 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.095 -13.464 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.957 -10.853 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.133 -12.212 3.195 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.917 -13.206 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.050 -11.620 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.635 -11.866 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.707 -10.383 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.022 -11.782 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.560 -10.557 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.050 -12.158 2.046 1.00 0.00 H new ATOM 1448 N THR A 93 -4.221 -14.651 3.843 1.00 0.00 N ATOM 1449 CA THR A 93 -4.373 -15.388 5.097 1.00 0.00 C ATOM 1450 C THR A 93 -3.392 -16.547 5.181 1.00 0.00 C ATOM 1451 O THR A 93 -2.849 -16.993 4.177 1.00 0.00 O ATOM 1452 CB THR A 93 -5.801 -15.913 5.260 1.00 0.00 C ATOM 1453 OG1 THR A 93 -6.153 -16.791 4.207 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.835 -14.815 5.321 1.00 0.00 C ATOM 0 H THR A 93 -4.104 -15.241 3.019 1.00 0.00 H new ATOM 0 HA THR A 93 -4.159 -14.689 5.906 1.00 0.00 H new ATOM 0 HB THR A 93 -5.800 -16.443 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.834 -16.369 3.643 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.826 -15.254 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.625 -14.164 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.802 -14.232 4.400 1.00 0.00 H new ATOM 1462 N ARG A 94 -3.169 -17.029 6.392 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.248 -18.131 6.608 1.00 0.00 C ATOM 1464 C ARG A 94 -2.713 -19.377 5.858 1.00 0.00 C ATOM 1465 O ARG A 94 -3.748 -19.960 6.183 1.00 0.00 O ATOM 1466 CB ARG A 94 -2.156 -18.423 8.103 1.00 0.00 C ATOM 1467 CG ARG A 94 -1.131 -17.569 8.830 1.00 0.00 C ATOM 1468 CD ARG A 94 0.161 -18.330 9.079 1.00 0.00 C ATOM 1469 NE ARG A 94 -0.054 -19.527 9.889 1.00 0.00 N ATOM 1470 CZ ARG A 94 -0.226 -19.508 11.209 1.00 0.00 C ATOM 1471 NH1 ARG A 94 -0.208 -18.358 11.871 1.00 0.00 N ATOM 1472 NH2 ARG A 94 -0.417 -20.643 11.869 1.00 0.00 N ATOM 0 H ARG A 94 -3.613 -16.675 7.239 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.265 -17.853 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.135 -18.265 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.906 -19.474 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.919 -16.676 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.545 -17.234 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.604 -18.614 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.875 -17.677 9.580 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.073 -20.430 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.062 -17.482 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.340 -18.350 12.882 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.432 -21.530 11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.549 -20.629 12.880 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.940 -19.777 4.850 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.273 -20.950 4.048 1.00 0.00 C ATOM 1488 C CYS A 95 -1.799 -22.230 4.734 1.00 0.00 C ATOM 1489 O CYS A 95 -0.727 -22.258 5.339 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.642 -20.834 2.657 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.798 -21.152 1.283 1.00 0.00 S ATOM 0 H CYS A 95 -1.080 -19.306 4.570 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.357 -20.997 3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.225 -19.834 2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.811 -21.536 2.588 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.593 -23.313 4.648 1.00 0.00 N ATOM 1497 CA PRO A 96 -2.246 -24.596 5.264 1.00 0.00 C ATOM 1498 C PRO A 96 -1.177 -25.348 4.476 1.00 0.00 C ATOM 1499 O PRO A 96 -1.403 -26.467 4.014 1.00 0.00 O ATOM 1500 CB PRO A 96 -3.568 -25.362 5.238 1.00 0.00 C ATOM 1501 CG PRO A 96 -4.291 -24.818 4.054 1.00 0.00 C ATOM 1502 CD PRO A 96 -3.891 -23.371 3.945 1.00 0.00 C ATOM 0 HA PRO A 96 -1.826 -24.472 6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.403 -26.435 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.135 -25.206 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.024 -25.365 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.370 -24.915 4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.797 -23.059 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.628 -22.716 4.410 1.00 0.00 H new ATOM 1510 N VAL A 97 -0.012 -24.726 4.327 1.00 0.00 N ATOM 1511 CA VAL A 97 1.091 -25.337 3.595 1.00 0.00 C ATOM 1512 C VAL A 97 2.436 -24.828 4.102 1.00 0.00 C ATOM 1513 O VAL A 97 3.218 -25.582 4.682 1.00 0.00 O ATOM 1514 CB VAL A 97 0.987 -25.058 2.085 1.00 0.00 C ATOM 1515 CG1 VAL A 97 2.027 -25.862 1.319 1.00 0.00 C ATOM 1516 CG2 VAL A 97 -0.415 -25.367 1.580 1.00 0.00 C ATOM 0 H VAL A 97 0.192 -23.800 4.703 1.00 0.00 H new ATOM 0 HA VAL A 97 1.024 -26.412 3.764 1.00 0.00 H new ATOM 0 HB VAL A 97 1.184 -23.999 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.937 -25.651 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.024 -25.586 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.865 -26.926 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.470 -25.164 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.644 -26.417 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.137 -24.742 2.105 1.00 0.00 H new ATOM 1526 N THR A 98 2.701 -23.545 3.879 1.00 0.00 N ATOM 1527 CA THR A 98 3.952 -22.935 4.313 1.00 0.00 C ATOM 1528 C THR A 98 4.026 -22.868 5.835 1.00 0.00 C ATOM 1529 O THR A 98 3.001 -22.876 6.518 1.00 0.00 O ATOM 1530 CB THR A 98 4.091 -21.531 3.721 1.00 0.00 C ATOM 1531 OG1 THR A 98 3.322 -21.407 2.539 1.00 0.00 O ATOM 1532 CG2 THR A 98 5.519 -21.164 3.382 1.00 0.00 C ATOM 0 H THR A 98 2.065 -22.907 3.400 1.00 0.00 H new ATOM 0 HA THR A 98 4.773 -23.556 3.955 1.00 0.00 H new ATOM 0 HB THR A 98 3.734 -20.853 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 98 2.892 -20.526 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.547 -20.157 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.128 -21.201 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.912 -21.869 2.650 1.00 0.00 H new ATOM 1540 N GLU A 99 5.245 -22.800 6.360 1.00 0.00 N ATOM 1541 CA GLU A 99 5.454 -22.731 7.802 1.00 0.00 C ATOM 1542 C GLU A 99 6.337 -21.543 8.167 1.00 0.00 C ATOM 1543 O GLU A 99 6.622 -20.687 7.329 1.00 0.00 O ATOM 1544 CB GLU A 99 6.088 -24.028 8.309 1.00 0.00 C ATOM 1545 CG GLU A 99 5.442 -25.282 7.745 1.00 0.00 C ATOM 1546 CD GLU A 99 6.265 -25.916 6.640 1.00 0.00 C ATOM 1547 OE1 GLU A 99 7.474 -26.141 6.856 1.00 0.00 O ATOM 1548 OE2 GLU A 99 5.700 -26.185 5.559 1.00 0.00 O ATOM 0 H GLU A 99 6.103 -22.791 5.809 1.00 0.00 H new ATOM 0 HA GLU A 99 4.483 -22.599 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.148 -24.029 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.023 -24.054 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.300 -26.005 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.453 -25.035 7.360 1.00 0.00 H new ATOM 1555 N SER A 100 6.768 -21.496 9.423 1.00 0.00 N ATOM 1556 CA SER A 100 7.620 -20.411 9.898 1.00 0.00 C ATOM 1557 C SER A 100 8.585 -20.907 10.970 1.00 0.00 C ATOM 1558 O SER A 100 8.186 -21.593 11.911 1.00 0.00 O ATOM 1559 CB SER A 100 6.766 -19.270 10.455 1.00 0.00 C ATOM 1560 OG SER A 100 5.531 -19.754 10.955 1.00 0.00 O ATOM 0 H SER A 100 6.542 -22.196 10.130 1.00 0.00 H new ATOM 0 HA SER A 100 8.201 -20.042 9.053 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.309 -18.760 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.582 -18.534 9.672 1.00 0.00 H new ATOM 0 HG SER A 100 5.005 -19.006 11.307 1.00 0.00 H new ATOM 1566 N SER A 101 9.859 -20.555 10.820 1.00 0.00 N ATOM 1567 CA SER A 101 10.882 -20.964 11.775 1.00 0.00 C ATOM 1568 C SER A 101 11.379 -19.770 12.585 1.00 0.00 C ATOM 1569 O SER A 101 11.064 -19.635 13.766 1.00 0.00 O ATOM 1570 CB SER A 101 12.055 -21.623 11.046 1.00 0.00 C ATOM 1571 OG SER A 101 11.727 -22.941 10.639 1.00 0.00 O ATOM 0 H SER A 101 10.206 -19.988 10.047 1.00 0.00 H new ATOM 0 HA SER A 101 10.436 -21.685 12.460 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.327 -21.027 10.175 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.927 -21.647 11.700 1.00 0.00 H new ATOM 0 HG SER A 101 12.492 -23.340 10.174 1.00 0.00 H new ATOM 1577 N VAL A 102 12.158 -18.908 11.939 1.00 0.00 N ATOM 1578 CA VAL A 102 12.698 -17.725 12.598 1.00 0.00 C ATOM 1579 C VAL A 102 11.584 -16.765 13.003 1.00 0.00 C ATOM 1580 O VAL A 102 10.670 -16.542 12.183 1.00 0.00 O ATOM 1581 CB VAL A 102 13.695 -16.982 11.692 1.00 0.00 C ATOM 1582 CG1 VAL A 102 14.926 -17.838 11.434 1.00 0.00 C ATOM 1583 CG2 VAL A 102 13.031 -16.583 10.382 1.00 0.00 C ATOM 1584 OXT VAL A 102 11.636 -16.245 14.138 1.00 0.00 O ATOM 0 H VAL A 102 12.429 -19.007 10.961 1.00 0.00 H new ATOM 0 HA VAL A 102 13.219 -18.071 13.491 1.00 0.00 H new ATOM 0 HB VAL A 102 14.014 -16.074 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.619 -17.295 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.414 -18.068 12.381 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.628 -18.765 10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.751 -16.059 9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.681 -17.476 9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.184 -15.928 10.588 1.00 0.00 H new TER 1594 VAL A 102