USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 904 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 118 HIS :FLIP no HD1:sc= -0.122 F(o=-0.81,f=-0.083) USER MOD Set 1.2: A 119 SER OG : rot 41:sc= 0.039 USER MOD Set 2.1: A 47 GLN : amide:sc= -3.58! C(o=-3.6!,f=-6!) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0393 K(o=-3.6,f=-4.9!) USER MOD Set 3.1: A 33 SER OG : rot 91:sc= 0.189 USER MOD Set 3.2: A 35 ASN : amide:sc= -2.38 K(o=-2.2,f=-3.5!) USER MOD Set 4.1: A 24 ASN :FLIP amide:sc=-0.00817 F(o=-1.1,f=-0.071) USER MOD Set 4.2: A 41 MET CE :methyl -148:sc= -0.0629 (180deg=-0.405) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0239 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0493 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -70:sc= 0.293 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 65:sc= 0.789 USER MOD Single : A 26 THR OG1 : rot -142:sc= 0.448 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.726 (180deg=-0.998) USER MOD Single : A 45 THR OG1 : rot 58:sc= 0.918 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 120:sc= -0.0577 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -3.1 X(o=-3.1,f=-2.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 67 SER OG : rot -3:sc= 0.975 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.9!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.153 F(o=-0.71,f=-0.15) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.2!) USER MOD Single : A 88 HIS : no HD1:sc= -0.782 X(o=-0.78,f=-1.3) USER MOD Single : A 89 ASN :FLIP amide:sc= -1.02! F(o=-1.6,f=-1!) USER MOD Single : A 91 THR OG1 : rot 46:sc= 0.113 USER MOD Single : A 92 CYS SG : rot 53:sc= 0.602 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.883 USER MOD Single : A 108 SER OG : rot -130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= -0.853 (180deg=-1.21) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.803 9.840 -26.508 1.00 0.00 N ATOM 2 CA GLY A 1 -23.022 9.162 -26.105 1.00 0.00 C ATOM 3 C GLY A 1 -24.077 10.122 -25.592 1.00 0.00 C ATOM 4 O GLY A 1 -24.178 11.254 -26.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.435 9.404 -27.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.006 10.845 -26.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.094 9.757 -25.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.422 8.606 -26.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.789 8.434 -25.328 1.00 0.00 H new ATOM 8 N SER A 2 -24.866 9.669 -24.623 1.00 0.00 N ATOM 9 CA SER A 2 -25.922 10.494 -24.049 1.00 0.00 C ATOM 10 C SER A 2 -25.343 11.526 -23.087 1.00 0.00 C ATOM 11 O SER A 2 -24.151 11.505 -22.780 1.00 0.00 O ATOM 12 CB SER A 2 -26.944 9.618 -23.321 1.00 0.00 C ATOM 13 OG SER A 2 -28.121 10.348 -23.023 1.00 0.00 O ATOM 0 H SER A 2 -24.794 8.735 -24.219 1.00 0.00 H new ATOM 0 HA SER A 2 -26.420 11.021 -24.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.194 8.755 -23.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.507 9.234 -22.399 1.00 0.00 H new ATOM 0 HG SER A 2 -28.759 9.766 -22.560 1.00 0.00 H new ATOM 19 N SER A 3 -26.196 12.429 -22.614 1.00 0.00 N ATOM 20 CA SER A 3 -25.770 13.473 -21.689 1.00 0.00 C ATOM 21 C SER A 3 -25.229 12.867 -20.398 1.00 0.00 C ATOM 22 O SER A 3 -25.432 11.686 -20.120 1.00 0.00 O ATOM 23 CB SER A 3 -26.935 14.413 -21.376 1.00 0.00 C ATOM 24 OG SER A 3 -27.031 15.447 -22.340 1.00 0.00 O ATOM 0 H SER A 3 -27.186 12.459 -22.856 1.00 0.00 H new ATOM 0 HA SER A 3 -24.972 14.042 -22.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.866 13.847 -21.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.800 14.847 -20.385 1.00 0.00 H new ATOM 0 HG SER A 3 -27.785 16.033 -22.118 1.00 0.00 H new ATOM 30 N GLY A 4 -24.538 13.687 -19.611 1.00 0.00 N ATOM 31 CA GLY A 4 -23.977 13.215 -18.358 1.00 0.00 C ATOM 32 C GLY A 4 -24.932 13.390 -17.194 1.00 0.00 C ATOM 33 O GLY A 4 -25.563 12.431 -16.750 1.00 0.00 O ATOM 0 H GLY A 4 -24.357 14.669 -19.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.716 12.161 -18.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.053 13.755 -18.151 1.00 0.00 H new ATOM 37 N SER A 5 -25.037 14.618 -16.696 1.00 0.00 N ATOM 38 CA SER A 5 -25.917 14.915 -15.572 1.00 0.00 C ATOM 39 C SER A 5 -25.685 13.933 -14.427 1.00 0.00 C ATOM 40 O SER A 5 -26.634 13.429 -13.826 1.00 0.00 O ATOM 41 CB SER A 5 -27.380 14.863 -16.015 1.00 0.00 C ATOM 42 OG SER A 5 -27.818 16.128 -16.479 1.00 0.00 O ATOM 0 H SER A 5 -24.523 15.423 -17.053 1.00 0.00 H new ATOM 0 HA SER A 5 -25.688 15.920 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.498 14.122 -16.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.004 14.542 -15.181 1.00 0.00 H new ATOM 0 HG SER A 5 -28.756 16.068 -16.758 1.00 0.00 H new ATOM 48 N SER A 6 -24.417 13.667 -14.131 1.00 0.00 N ATOM 49 CA SER A 6 -24.059 12.743 -13.061 1.00 0.00 C ATOM 50 C SER A 6 -22.953 13.326 -12.187 1.00 0.00 C ATOM 51 O SER A 6 -21.939 13.809 -12.690 1.00 0.00 O ATOM 52 CB SER A 6 -23.610 11.402 -13.646 1.00 0.00 C ATOM 53 OG SER A 6 -23.688 10.371 -12.676 1.00 0.00 O ATOM 0 H SER A 6 -23.620 14.078 -14.617 1.00 0.00 H new ATOM 0 HA SER A 6 -24.941 12.584 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.234 11.148 -14.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.586 11.485 -14.011 1.00 0.00 H new ATOM 0 HG SER A 6 -23.398 9.524 -13.075 1.00 0.00 H new ATOM 59 N GLY A 7 -23.157 13.276 -10.874 1.00 0.00 N ATOM 60 CA GLY A 7 -22.170 13.803 -9.950 1.00 0.00 C ATOM 61 C GLY A 7 -21.310 12.714 -9.338 1.00 0.00 C ATOM 62 O GLY A 7 -21.171 11.631 -9.907 1.00 0.00 O ATOM 0 H GLY A 7 -23.988 12.880 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.532 14.516 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.676 14.351 -9.156 1.00 0.00 H new ATOM 66 N TRP A 8 -20.730 13.002 -8.179 1.00 0.00 N ATOM 67 CA TRP A 8 -19.878 12.040 -7.491 1.00 0.00 C ATOM 68 C TRP A 8 -20.715 11.002 -6.751 1.00 0.00 C ATOM 69 O TRP A 8 -21.898 11.220 -6.488 1.00 0.00 O ATOM 70 CB TRP A 8 -18.950 12.759 -6.510 1.00 0.00 C ATOM 71 CG TRP A 8 -19.625 13.865 -5.756 1.00 0.00 C ATOM 72 CD1 TRP A 8 -20.739 13.763 -4.973 1.00 0.00 C ATOM 73 CD2 TRP A 8 -19.230 15.241 -5.718 1.00 0.00 C ATOM 74 NE1 TRP A 8 -21.060 14.992 -4.450 1.00 0.00 N ATOM 75 CE2 TRP A 8 -20.149 15.915 -4.890 1.00 0.00 C ATOM 76 CE3 TRP A 8 -18.187 15.968 -6.299 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -20.056 17.280 -4.633 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -18.097 17.323 -6.043 1.00 0.00 C ATOM 79 CH2 TRP A 8 -19.026 17.968 -5.216 1.00 0.00 C ATOM 0 H TRP A 8 -20.834 13.894 -7.696 1.00 0.00 H new ATOM 0 HA TRP A 8 -19.275 11.526 -8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -18.552 12.034 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -18.101 13.168 -7.057 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -21.287 12.850 -4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -21.849 15.186 -3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -17.465 15.480 -6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -20.771 17.779 -3.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -17.296 17.895 -6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -18.928 19.028 -5.035 1.00 0.00 H new ATOM 90 N ILE A 9 -20.094 9.876 -6.417 1.00 0.00 N ATOM 91 CA ILE A 9 -20.783 8.807 -5.706 1.00 0.00 C ATOM 92 C ILE A 9 -20.174 8.582 -4.326 1.00 0.00 C ATOM 93 O ILE A 9 -18.959 8.428 -4.189 1.00 0.00 O ATOM 94 CB ILE A 9 -20.738 7.485 -6.496 1.00 0.00 C ATOM 95 CG1 ILE A 9 -21.334 7.680 -7.891 1.00 0.00 C ATOM 96 CG2 ILE A 9 -21.483 6.393 -5.743 1.00 0.00 C ATOM 97 CD1 ILE A 9 -20.979 6.573 -8.860 1.00 0.00 C ATOM 0 H ILE A 9 -19.115 9.681 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 9 -21.821 9.120 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.698 7.178 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -22.419 7.745 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -20.988 8.631 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -21.443 5.465 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.018 6.241 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -22.523 6.690 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -21.435 6.777 -9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.896 6.522 -8.973 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -21.350 5.622 -8.478 1.00 0.00 H new ATOM 109 N LEU A 10 -21.024 8.563 -3.306 1.00 0.00 N ATOM 110 CA LEU A 10 -20.570 8.355 -1.935 1.00 0.00 C ATOM 111 C LEU A 10 -19.645 7.146 -1.845 1.00 0.00 C ATOM 112 O LEU A 10 -19.774 6.195 -2.616 1.00 0.00 O ATOM 113 CB LEU A 10 -21.768 8.165 -1.003 1.00 0.00 C ATOM 114 CG LEU A 10 -22.969 7.427 -1.596 1.00 0.00 C ATOM 115 CD1 LEU A 10 -23.699 6.642 -0.518 1.00 0.00 C ATOM 116 CD2 LEU A 10 -23.914 8.407 -2.277 1.00 0.00 C ATOM 0 H LEU A 10 -22.032 8.689 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 10 -20.013 9.239 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -21.433 7.622 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -22.100 9.147 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 10 -22.605 6.724 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -24.550 6.124 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -23.020 5.913 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -24.051 7.326 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -24.763 7.864 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -24.271 9.135 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -23.386 8.925 -3.078 1.00 0.00 H new ATOM 128 N ALA A 11 -18.714 7.189 -0.898 1.00 0.00 N ATOM 129 CA ALA A 11 -17.770 6.095 -0.705 1.00 0.00 C ATOM 130 C ALA A 11 -17.136 6.155 0.681 1.00 0.00 C ATOM 131 O ALA A 11 -16.477 7.134 1.031 1.00 0.00 O ATOM 132 CB ALA A 11 -16.694 6.129 -1.781 1.00 0.00 C ATOM 0 H ALA A 11 -18.593 7.969 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.319 5.157 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.996 5.306 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.158 6.029 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.156 7.076 -1.728 1.00 0.00 H new ATOM 138 N SER A 12 -17.341 5.102 1.466 1.00 0.00 N ATOM 139 CA SER A 12 -16.794 5.038 2.816 1.00 0.00 C ATOM 140 C SER A 12 -16.790 6.417 3.467 1.00 0.00 C ATOM 141 O SER A 12 -15.803 6.825 4.081 1.00 0.00 O ATOM 142 CB SER A 12 -15.373 4.471 2.786 1.00 0.00 C ATOM 143 OG SER A 12 -15.071 3.789 3.991 1.00 0.00 O ATOM 0 H SER A 12 -17.882 4.282 1.190 1.00 0.00 H new ATOM 0 HA SER A 12 -17.429 4.379 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.268 3.789 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.658 5.280 2.633 1.00 0.00 H new ATOM 0 HG SER A 12 -14.158 3.435 3.946 1.00 0.00 H new ATOM 149 N THR A 13 -17.901 7.134 3.329 1.00 0.00 N ATOM 150 CA THR A 13 -18.027 8.468 3.902 1.00 0.00 C ATOM 151 C THR A 13 -18.913 8.452 5.143 1.00 0.00 C ATOM 152 O THR A 13 -20.088 8.816 5.085 1.00 0.00 O ATOM 153 CB THR A 13 -18.609 9.464 2.882 1.00 0.00 C ATOM 154 OG1 THR A 13 -18.945 10.694 3.535 1.00 0.00 O ATOM 155 CG2 THR A 13 -19.846 8.888 2.208 1.00 0.00 C ATOM 0 H THR A 13 -18.727 6.812 2.825 1.00 0.00 H new ATOM 0 HA THR A 13 -17.023 8.789 4.180 1.00 0.00 H new ATOM 0 HB THR A 13 -17.853 9.652 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.716 10.552 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.239 9.609 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.581 7.967 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 13 -20.604 8.674 2.961 1.00 0.00 H new ATOM 163 N THR A 14 -18.342 8.029 6.266 1.00 0.00 N ATOM 164 CA THR A 14 -19.080 7.966 7.522 1.00 0.00 C ATOM 165 C THR A 14 -18.183 8.311 8.705 1.00 0.00 C ATOM 166 O THR A 14 -16.985 8.028 8.690 1.00 0.00 O ATOM 167 CB THR A 14 -19.690 6.569 7.745 1.00 0.00 C ATOM 168 OG1 THR A 14 -20.389 6.534 8.994 1.00 0.00 O ATOM 169 CG2 THR A 14 -18.609 5.499 7.733 1.00 0.00 C ATOM 0 H THR A 14 -17.371 7.725 6.332 1.00 0.00 H new ATOM 0 HA THR A 14 -19.884 8.699 7.454 1.00 0.00 H new ATOM 0 HB THR A 14 -20.388 6.367 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.775 5.643 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 -19.063 4.521 7.892 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.098 5.509 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.890 5.699 8.528 1.00 0.00 H new ATOM 177 N GLU A 15 -18.770 8.923 9.728 1.00 0.00 N ATOM 178 CA GLU A 15 -18.022 9.307 10.920 1.00 0.00 C ATOM 179 C GLU A 15 -17.453 8.078 11.624 1.00 0.00 C ATOM 180 O GLU A 15 -18.174 7.122 11.906 1.00 0.00 O ATOM 181 CB GLU A 15 -18.918 10.090 11.881 1.00 0.00 C ATOM 182 CG GLU A 15 -20.178 9.343 12.284 1.00 0.00 C ATOM 183 CD GLU A 15 -21.040 10.131 13.251 1.00 0.00 C ATOM 184 OE1 GLU A 15 -20.747 10.102 14.465 1.00 0.00 O ATOM 185 OE2 GLU A 15 -22.006 10.777 12.795 1.00 0.00 O ATOM 0 H GLU A 15 -19.761 9.164 9.756 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.193 9.943 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.348 10.335 12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.199 11.034 11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.759 9.111 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.902 8.393 12.741 1.00 0.00 H new ATOM 192 N GLY A 16 -16.154 8.113 11.904 1.00 0.00 N ATOM 193 CA GLY A 16 -15.509 6.997 12.572 1.00 0.00 C ATOM 194 C GLY A 16 -14.530 6.270 11.672 1.00 0.00 C ATOM 195 O GLY A 16 -14.527 5.041 11.611 1.00 0.00 O ATOM 0 H GLY A 16 -15.537 8.894 11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.984 7.360 13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.269 6.296 12.918 1.00 0.00 H new ATOM 199 N ALA A 17 -13.696 7.031 10.971 1.00 0.00 N ATOM 200 CA ALA A 17 -12.707 6.452 10.070 1.00 0.00 C ATOM 201 C ALA A 17 -11.433 7.289 10.043 1.00 0.00 C ATOM 202 O ALA A 17 -11.432 8.473 10.380 1.00 0.00 O ATOM 203 CB ALA A 17 -13.284 6.319 8.669 1.00 0.00 C ATOM 0 H ALA A 17 -13.686 8.050 11.010 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.450 5.460 10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.535 5.885 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.161 5.673 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.570 7.303 8.298 1.00 0.00 H new ATOM 209 N PRO A 18 -10.321 6.662 9.631 1.00 0.00 N ATOM 210 CA PRO A 18 -9.019 7.331 9.550 1.00 0.00 C ATOM 211 C PRO A 18 -8.967 8.365 8.431 1.00 0.00 C ATOM 212 O PRO A 18 -8.609 8.049 7.296 1.00 0.00 O ATOM 213 CB PRO A 18 -8.047 6.184 9.263 1.00 0.00 C ATOM 214 CG PRO A 18 -8.880 5.140 8.602 1.00 0.00 C ATOM 215 CD PRO A 18 -10.248 5.252 9.214 1.00 0.00 C ATOM 0 HA PRO A 18 -8.789 7.885 10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.232 6.508 8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.596 5.808 10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.921 5.298 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.461 4.147 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.031 5.004 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.366 4.576 10.061 1.00 0.00 H new ATOM 223 N SER A 19 -9.327 9.603 8.757 1.00 0.00 N ATOM 224 CA SER A 19 -9.324 10.683 7.778 1.00 0.00 C ATOM 225 C SER A 19 -7.919 11.247 7.594 1.00 0.00 C ATOM 226 O SER A 19 -7.734 12.457 7.469 1.00 0.00 O ATOM 227 CB SER A 19 -10.280 11.796 8.213 1.00 0.00 C ATOM 228 OG SER A 19 -9.660 12.663 9.147 1.00 0.00 O ATOM 0 H SER A 19 -9.624 9.882 9.692 1.00 0.00 H new ATOM 0 HA SER A 19 -9.660 10.276 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.601 12.365 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.175 11.359 8.656 1.00 0.00 H new ATOM 0 HG SER A 19 -8.918 13.135 8.713 1.00 0.00 H new ATOM 234 N VAL A 20 -6.929 10.359 7.578 1.00 0.00 N ATOM 235 CA VAL A 20 -5.540 10.766 7.409 1.00 0.00 C ATOM 236 C VAL A 20 -4.677 9.597 6.945 1.00 0.00 C ATOM 237 O VAL A 20 -4.992 8.437 7.210 1.00 0.00 O ATOM 238 CB VAL A 20 -4.957 11.332 8.717 1.00 0.00 C ATOM 239 CG1 VAL A 20 -5.562 12.693 9.026 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.189 10.363 9.866 1.00 0.00 C ATOM 0 H VAL A 20 -7.064 9.353 7.680 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.530 11.546 6.648 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.882 11.459 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.138 13.077 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.340 13.383 8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.642 12.595 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.771 10.779 10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.259 10.202 9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.704 9.413 9.644 1.00 0.00 H new ATOM 250 N ALA A 21 -3.588 9.911 6.252 1.00 0.00 N ATOM 251 CA ALA A 21 -2.678 8.887 5.754 1.00 0.00 C ATOM 252 C ALA A 21 -1.432 8.787 6.627 1.00 0.00 C ATOM 253 O ALA A 21 -1.162 9.648 7.465 1.00 0.00 O ATOM 254 CB ALA A 21 -2.292 9.181 4.312 1.00 0.00 C ATOM 0 H ALA A 21 -3.314 10.866 6.023 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.194 7.928 5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.612 8.409 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.188 9.194 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.799 10.152 4.258 1.00 0.00 H new ATOM 260 N PRO A 22 -0.655 7.712 6.430 1.00 0.00 N ATOM 261 CA PRO A 22 0.576 7.475 7.191 1.00 0.00 C ATOM 262 C PRO A 22 1.680 8.462 6.830 1.00 0.00 C ATOM 263 O PRO A 22 1.681 9.038 5.741 1.00 0.00 O ATOM 264 CB PRO A 22 0.975 6.054 6.785 1.00 0.00 C ATOM 265 CG PRO A 22 0.364 5.858 5.440 1.00 0.00 C ATOM 266 CD PRO A 22 -0.916 6.647 5.448 1.00 0.00 C ATOM 0 HA PRO A 22 0.423 7.600 8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.059 5.943 6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.604 5.319 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.033 6.207 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.171 4.802 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.142 7.055 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.766 6.031 5.740 1.00 0.00 H new ATOM 274 N LEU A 23 2.620 8.653 7.749 1.00 0.00 N ATOM 275 CA LEU A 23 3.731 9.571 7.528 1.00 0.00 C ATOM 276 C LEU A 23 5.032 8.807 7.302 1.00 0.00 C ATOM 277 O LEU A 23 5.061 7.579 7.368 1.00 0.00 O ATOM 278 CB LEU A 23 3.883 10.518 8.720 1.00 0.00 C ATOM 279 CG LEU A 23 2.601 10.836 9.491 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.277 9.719 10.471 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.734 12.165 10.220 1.00 0.00 C ATOM 0 H LEU A 23 2.635 8.184 8.655 1.00 0.00 H new ATOM 0 HA LEU A 23 3.514 10.155 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.603 10.084 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.310 11.455 8.362 1.00 0.00 H new ATOM 0 HG LEU A 23 1.780 10.915 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.362 9.963 11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.139 8.785 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.097 9.608 11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.813 12.376 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.566 12.113 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.919 12.960 9.497 1.00 0.00 H new ATOM 293 N ASN A 24 6.107 9.543 7.038 1.00 0.00 N ATOM 294 CA ASN A 24 7.411 8.935 6.804 1.00 0.00 C ATOM 295 C ASN A 24 7.322 7.849 5.736 1.00 0.00 C ATOM 296 O ASN A 24 8.084 6.882 5.752 1.00 0.00 O ATOM 297 CB ASN A 24 7.961 8.343 8.104 1.00 0.00 C ATOM 298 CG ASN A 24 8.814 9.332 8.875 1.00 0.00 C ATOM 299 OD1 ASN A 24 8.330 10.563 8.993 1.00 0.00 O flip ATOM 300 ND2 ASN A 24 9.894 8.993 9.359 1.00 0.00 N flip ATOM 0 H ASN A 24 6.100 10.561 6.981 1.00 0.00 H new ATOM 0 HA ASN A 24 8.088 9.712 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.131 8.017 8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.554 7.458 7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.227 8.036 9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.456 9.669 9.876 1.00 0.00 H new ATOM 307 N VAL A 25 6.386 8.017 4.807 1.00 0.00 N ATOM 308 CA VAL A 25 6.198 7.053 3.729 1.00 0.00 C ATOM 309 C VAL A 25 7.316 7.157 2.697 1.00 0.00 C ATOM 310 O VAL A 25 7.424 8.152 1.980 1.00 0.00 O ATOM 311 CB VAL A 25 4.844 7.257 3.024 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.743 6.369 1.793 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.697 6.981 3.985 1.00 0.00 C ATOM 0 H VAL A 25 5.746 8.811 4.779 1.00 0.00 H new ATOM 0 HA VAL A 25 6.218 6.062 4.183 1.00 0.00 H new ATOM 0 HB VAL A 25 4.776 8.295 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.780 6.527 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.544 6.619 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.833 5.324 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.748 7.130 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.760 5.953 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.761 7.663 4.833 1.00 0.00 H new ATOM 323 N THR A 26 8.147 6.122 2.627 1.00 0.00 N ATOM 324 CA THR A 26 9.258 6.096 1.684 1.00 0.00 C ATOM 325 C THR A 26 9.252 4.812 0.862 1.00 0.00 C ATOM 326 O THR A 26 8.497 3.883 1.150 1.00 0.00 O ATOM 327 CB THR A 26 10.612 6.223 2.406 1.00 0.00 C ATOM 328 OG1 THR A 26 11.666 5.757 1.557 1.00 0.00 O ATOM 329 CG2 THR A 26 10.610 5.428 3.704 1.00 0.00 C ATOM 0 H THR A 26 8.072 5.290 3.213 1.00 0.00 H new ATOM 0 HA THR A 26 9.128 6.950 1.020 1.00 0.00 H new ATOM 0 HB THR A 26 10.775 7.274 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.333 5.282 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.577 5.533 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.826 5.805 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.426 4.376 3.486 1.00 0.00 H new ATOM 337 N VAL A 27 10.098 4.766 -0.162 1.00 0.00 N ATOM 338 CA VAL A 27 10.192 3.594 -1.024 1.00 0.00 C ATOM 339 C VAL A 27 11.625 3.370 -1.493 1.00 0.00 C ATOM 340 O VAL A 27 12.196 4.203 -2.197 1.00 0.00 O ATOM 341 CB VAL A 27 9.275 3.729 -2.255 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.364 2.484 -3.125 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.839 3.987 -1.824 1.00 0.00 C ATOM 0 H VAL A 27 10.728 5.527 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 27 9.869 2.738 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 27 9.611 4.581 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.710 2.597 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.392 2.349 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.054 1.613 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.205 4.080 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.488 3.157 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.793 4.910 -1.246 1.00 0.00 H new ATOM 353 N PHE A 28 12.200 2.239 -1.099 1.00 0.00 N ATOM 354 CA PHE A 28 13.568 1.904 -1.479 1.00 0.00 C ATOM 355 C PHE A 28 13.593 0.701 -2.417 1.00 0.00 C ATOM 356 O PHE A 28 13.038 -0.354 -2.107 1.00 0.00 O ATOM 357 CB PHE A 28 14.408 1.612 -0.234 1.00 0.00 C ATOM 358 CG PHE A 28 14.658 2.824 0.619 1.00 0.00 C ATOM 359 CD1 PHE A 28 15.637 3.741 0.272 1.00 0.00 C ATOM 360 CD2 PHE A 28 13.914 3.045 1.766 1.00 0.00 C ATOM 361 CE1 PHE A 28 15.869 4.856 1.055 1.00 0.00 C ATOM 362 CE2 PHE A 28 14.141 4.159 2.553 1.00 0.00 C ATOM 363 CZ PHE A 28 15.120 5.066 2.196 1.00 0.00 C ATOM 0 H PHE A 28 11.740 1.539 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 28 13.993 2.760 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.904 0.854 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.365 1.191 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 28 16.225 3.583 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.147 2.339 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.636 5.563 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.554 4.320 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.299 5.938 2.808 1.00 0.00 H new ATOM 373 N LEU A 29 14.241 0.867 -3.565 1.00 0.00 N ATOM 374 CA LEU A 29 14.339 -0.204 -4.550 1.00 0.00 C ATOM 375 C LEU A 29 15.732 -0.826 -4.541 1.00 0.00 C ATOM 376 O LEU A 29 16.685 -0.244 -5.057 1.00 0.00 O ATOM 377 CB LEU A 29 14.015 0.329 -5.946 1.00 0.00 C ATOM 378 CG LEU A 29 14.566 -0.482 -7.119 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.785 -1.776 -7.287 1.00 0.00 C ATOM 380 CD2 LEU A 29 14.525 0.338 -8.401 1.00 0.00 C ATOM 0 H LEU A 29 14.706 1.733 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 29 13.615 -0.975 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.931 0.388 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.398 1.347 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 29 15.605 -0.734 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.191 -2.340 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.866 -2.371 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.737 -1.546 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.921 -0.255 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.495 0.621 -8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.129 1.237 -8.278 1.00 0.00 H new ATOM 392 N ASN A 30 15.840 -2.013 -3.954 1.00 0.00 N ATOM 393 CA ASN A 30 17.117 -2.715 -3.880 1.00 0.00 C ATOM 394 C ASN A 30 17.540 -3.220 -5.256 1.00 0.00 C ATOM 395 O ASN A 30 16.787 -3.924 -5.928 1.00 0.00 O ATOM 396 CB ASN A 30 17.022 -3.887 -2.901 1.00 0.00 C ATOM 397 CG ASN A 30 17.388 -3.489 -1.484 1.00 0.00 C ATOM 398 OD1 ASN A 30 18.475 -3.805 -1.000 1.00 0.00 O ATOM 399 ND2 ASN A 30 16.479 -2.792 -0.812 1.00 0.00 N ATOM 0 H ASN A 30 15.060 -2.509 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 30 17.870 -2.012 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.007 -4.285 -2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.683 -4.688 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.669 -2.496 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.591 -2.552 -1.253 1.00 0.00 H new ATOM 406 N GLU A 31 18.751 -2.856 -5.667 1.00 0.00 N ATOM 407 CA GLU A 31 19.274 -3.272 -6.962 1.00 0.00 C ATOM 408 C GLU A 31 20.003 -4.608 -6.851 1.00 0.00 C ATOM 409 O GLU A 31 20.323 -5.239 -7.859 1.00 0.00 O ATOM 410 CB GLU A 31 20.221 -2.207 -7.521 1.00 0.00 C ATOM 411 CG GLU A 31 19.504 -1.044 -8.185 1.00 0.00 C ATOM 412 CD GLU A 31 19.044 -1.368 -9.593 1.00 0.00 C ATOM 413 OE1 GLU A 31 17.964 -1.978 -9.738 1.00 0.00 O ATOM 414 OE2 GLU A 31 19.764 -1.013 -10.549 1.00 0.00 O ATOM 0 H GLU A 31 19.387 -2.274 -5.122 1.00 0.00 H new ATOM 0 HA GLU A 31 18.432 -3.393 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.843 -1.825 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.890 -2.672 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.642 -0.762 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.169 -0.181 -8.214 1.00 0.00 H new ATOM 421 N SER A 32 20.263 -5.033 -5.619 1.00 0.00 N ATOM 422 CA SER A 32 20.958 -6.291 -5.375 1.00 0.00 C ATOM 423 C SER A 32 19.967 -7.407 -5.059 1.00 0.00 C ATOM 424 O SER A 32 20.358 -8.545 -4.799 1.00 0.00 O ATOM 425 CB SER A 32 21.951 -6.135 -4.221 1.00 0.00 C ATOM 426 OG SER A 32 22.859 -5.076 -4.470 1.00 0.00 O ATOM 0 H SER A 32 20.003 -4.524 -4.774 1.00 0.00 H new ATOM 0 HA SER A 32 21.503 -6.557 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 32 21.410 -5.944 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.502 -7.065 -4.082 1.00 0.00 H new ATOM 0 HG SER A 32 23.482 -4.995 -3.718 1.00 0.00 H new ATOM 432 N SER A 33 18.681 -7.072 -5.085 1.00 0.00 N ATOM 433 CA SER A 33 17.632 -8.044 -4.798 1.00 0.00 C ATOM 434 C SER A 33 16.290 -7.574 -5.351 1.00 0.00 C ATOM 435 O SER A 33 15.879 -6.435 -5.129 1.00 0.00 O ATOM 436 CB SER A 33 17.521 -8.276 -3.290 1.00 0.00 C ATOM 437 OG SER A 33 17.800 -7.088 -2.569 1.00 0.00 O ATOM 0 H SER A 33 18.340 -6.135 -5.302 1.00 0.00 H new ATOM 0 HA SER A 33 17.898 -8.982 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.518 -8.626 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.215 -9.060 -2.988 1.00 0.00 H new ATOM 0 HG SER A 33 16.967 -6.593 -2.419 1.00 0.00 H new ATOM 443 N ASP A 34 15.613 -8.459 -6.074 1.00 0.00 N ATOM 444 CA ASP A 34 14.316 -8.137 -6.659 1.00 0.00 C ATOM 445 C ASP A 34 13.264 -7.938 -5.573 1.00 0.00 C ATOM 446 O ASP A 34 12.422 -8.805 -5.344 1.00 0.00 O ATOM 447 CB ASP A 34 13.876 -9.246 -7.616 1.00 0.00 C ATOM 448 CG ASP A 34 14.756 -9.332 -8.847 1.00 0.00 C ATOM 449 OD1 ASP A 34 15.100 -8.269 -9.406 1.00 0.00 O ATOM 450 OD2 ASP A 34 15.101 -10.462 -9.253 1.00 0.00 O ATOM 0 H ASP A 34 15.940 -9.405 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 34 14.417 -7.205 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.894 -10.202 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.845 -9.070 -7.922 1.00 0.00 H new ATOM 455 N ASN A 35 13.319 -6.789 -4.906 1.00 0.00 N ATOM 456 CA ASN A 35 12.372 -6.476 -3.843 1.00 0.00 C ATOM 457 C ASN A 35 12.350 -4.978 -3.557 1.00 0.00 C ATOM 458 O ASN A 35 13.361 -4.291 -3.709 1.00 0.00 O ATOM 459 CB ASN A 35 12.731 -7.245 -2.569 1.00 0.00 C ATOM 460 CG ASN A 35 14.210 -7.167 -2.244 1.00 0.00 C ATOM 461 OD1 ASN A 35 14.878 -6.186 -2.572 1.00 0.00 O ATOM 462 ND2 ASN A 35 14.729 -8.204 -1.597 1.00 0.00 N ATOM 0 H ASN A 35 14.010 -6.060 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 35 11.379 -6.779 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.157 -6.846 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.442 -8.290 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.719 -8.209 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.138 -8.996 -1.345 1.00 0.00 H new ATOM 469 N VAL A 36 11.192 -4.477 -3.140 1.00 0.00 N ATOM 470 CA VAL A 36 11.038 -3.061 -2.830 1.00 0.00 C ATOM 471 C VAL A 36 10.685 -2.854 -1.362 1.00 0.00 C ATOM 472 O VAL A 36 9.704 -3.407 -0.865 1.00 0.00 O ATOM 473 CB VAL A 36 9.951 -2.410 -3.705 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.911 -0.906 -3.477 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.187 -2.729 -5.174 1.00 0.00 C ATOM 0 H VAL A 36 10.346 -5.031 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 36 11.996 -2.586 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 36 8.984 -2.822 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.137 -0.463 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.690 -0.703 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.878 -0.473 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.409 -2.261 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.161 -2.346 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.160 -3.809 -5.321 1.00 0.00 H new ATOM 485 N ASP A 37 11.491 -2.054 -0.672 1.00 0.00 N ATOM 486 CA ASP A 37 11.263 -1.773 0.741 1.00 0.00 C ATOM 487 C ASP A 37 10.377 -0.543 0.913 1.00 0.00 C ATOM 488 O ASP A 37 10.394 0.368 0.084 1.00 0.00 O ATOM 489 CB ASP A 37 12.595 -1.563 1.462 1.00 0.00 C ATOM 490 CG ASP A 37 13.187 -2.861 1.974 1.00 0.00 C ATOM 491 OD1 ASP A 37 13.434 -3.767 1.150 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.403 -2.972 3.199 1.00 0.00 O ATOM 0 H ASP A 37 12.308 -1.589 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 37 10.753 -2.630 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.302 -1.088 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.448 -0.879 2.298 1.00 0.00 H new ATOM 497 N ILE A 38 9.605 -0.523 1.995 1.00 0.00 N ATOM 498 CA ILE A 38 8.713 0.595 2.275 1.00 0.00 C ATOM 499 C ILE A 38 8.636 0.874 3.772 1.00 0.00 C ATOM 500 O ILE A 38 8.364 -0.025 4.569 1.00 0.00 O ATOM 501 CB ILE A 38 7.293 0.331 1.740 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.357 -0.217 0.313 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.464 1.605 1.788 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.497 -1.721 0.248 1.00 0.00 C ATOM 0 H ILE A 38 9.580 -1.268 2.691 1.00 0.00 H new ATOM 0 HA ILE A 38 9.128 1.465 1.766 1.00 0.00 H new ATOM 0 HB ILE A 38 6.814 -0.415 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.454 0.079 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.199 0.241 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.463 1.402 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.396 1.956 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.938 2.371 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.536 -2.038 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.414 -2.023 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.642 -2.187 0.737 1.00 0.00 H new ATOM 516 N ARG A 39 8.875 2.126 4.149 1.00 0.00 N ATOM 517 CA ARG A 39 8.832 2.524 5.550 1.00 0.00 C ATOM 518 C ARG A 39 7.852 3.675 5.759 1.00 0.00 C ATOM 519 O ARG A 39 7.821 4.626 4.977 1.00 0.00 O ATOM 520 CB ARG A 39 10.226 2.934 6.029 1.00 0.00 C ATOM 521 CG ARG A 39 10.249 3.464 7.454 1.00 0.00 C ATOM 522 CD ARG A 39 9.863 2.387 8.456 1.00 0.00 C ATOM 523 NE ARG A 39 10.294 2.721 9.811 1.00 0.00 N ATOM 524 CZ ARG A 39 11.564 2.716 10.200 1.00 0.00 C ATOM 525 NH1 ARG A 39 12.523 2.397 9.342 1.00 0.00 N ATOM 526 NH2 ARG A 39 11.877 3.031 11.450 1.00 0.00 N ATOM 0 H ARG A 39 9.101 2.882 3.503 1.00 0.00 H new ATOM 0 HA ARG A 39 8.491 1.669 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.892 2.074 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.621 3.698 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.245 3.839 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.563 4.306 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.782 2.250 8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.308 1.438 8.158 1.00 0.00 H new ATOM 0 HE ARG A 39 9.581 2.972 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.287 2.154 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.497 2.394 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.142 3.277 12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.852 3.027 11.748 1.00 0.00 H new ATOM 540 N TRP A 40 7.055 3.582 6.817 1.00 0.00 N ATOM 541 CA TRP A 40 6.074 4.616 7.128 1.00 0.00 C ATOM 542 C TRP A 40 5.905 4.770 8.635 1.00 0.00 C ATOM 543 O TRP A 40 6.590 4.111 9.416 1.00 0.00 O ATOM 544 CB TRP A 40 4.728 4.280 6.483 1.00 0.00 C ATOM 545 CG TRP A 40 4.125 3.007 6.994 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.248 2.875 8.032 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.357 1.687 6.492 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.920 1.551 8.205 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.587 0.802 7.272 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.139 1.165 5.457 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.578 -0.572 7.050 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.130 -0.199 5.238 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.353 -1.055 6.030 1.00 0.00 C ATOM 0 H TRP A 40 7.068 2.802 7.474 1.00 0.00 H new ATOM 0 HA TRP A 40 6.437 5.561 6.724 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.033 5.100 6.662 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.860 4.203 5.404 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.868 3.691 8.629 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.283 1.186 8.913 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.739 1.817 4.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.981 -1.233 7.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.732 -0.613 4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.366 -2.117 5.832 1.00 0.00 H new ATOM 564 N MET A 41 4.989 5.645 9.037 1.00 0.00 N ATOM 565 CA MET A 41 4.730 5.885 10.452 1.00 0.00 C ATOM 566 C MET A 41 3.233 5.855 10.743 1.00 0.00 C ATOM 567 O MET A 41 2.411 5.983 9.836 1.00 0.00 O ATOM 568 CB MET A 41 5.318 7.231 10.880 1.00 0.00 C ATOM 569 CG MET A 41 6.750 7.136 11.382 1.00 0.00 C ATOM 570 SD MET A 41 7.159 8.437 12.562 1.00 0.00 S ATOM 571 CE MET A 41 6.543 9.882 11.700 1.00 0.00 C ATOM 0 H MET A 41 4.414 6.200 8.403 1.00 0.00 H new ATOM 0 HA MET A 41 5.209 5.090 11.023 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.283 7.919 10.035 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.694 7.658 11.665 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.903 6.164 11.851 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.433 7.192 10.534 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.162 10.745 11.947 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.578 9.707 10.625 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.514 10.075 12.003 1.00 0.00 H new ATOM 581 N LYS A 42 2.886 5.685 12.014 1.00 0.00 N ATOM 582 CA LYS A 42 1.488 5.639 12.426 1.00 0.00 C ATOM 583 C LYS A 42 0.911 7.046 12.550 1.00 0.00 C ATOM 584 O LYS A 42 1.520 7.944 13.130 1.00 0.00 O ATOM 585 CB LYS A 42 1.352 4.902 13.760 1.00 0.00 C ATOM 586 CG LYS A 42 -0.085 4.761 14.233 1.00 0.00 C ATOM 587 CD LYS A 42 -0.153 4.300 15.680 1.00 0.00 C ATOM 588 CE LYS A 42 -1.544 4.495 16.262 1.00 0.00 C ATOM 589 NZ LYS A 42 -1.535 4.444 17.750 1.00 0.00 N ATOM 0 H LYS A 42 3.554 5.577 12.777 1.00 0.00 H new ATOM 0 HA LYS A 42 0.927 5.101 11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.793 3.910 13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.925 5.434 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.598 5.717 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.610 4.047 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.124 3.248 15.741 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.572 4.855 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.944 5.455 15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.210 3.724 15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.512 4.393 18.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.010 3.604 18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.076 5.299 18.124 1.00 0.00 H new ATOM 603 N PRO A 43 -0.293 7.244 11.993 1.00 0.00 N ATOM 604 CA PRO A 43 -0.980 8.538 12.030 1.00 0.00 C ATOM 605 C PRO A 43 -1.460 8.900 13.431 1.00 0.00 C ATOM 606 O PRO A 43 -1.475 8.072 14.341 1.00 0.00 O ATOM 607 CB PRO A 43 -2.172 8.334 11.092 1.00 0.00 C ATOM 608 CG PRO A 43 -2.424 6.866 11.113 1.00 0.00 C ATOM 609 CD PRO A 43 -1.078 6.218 11.285 1.00 0.00 C ATOM 0 HA PRO A 43 -0.323 9.356 11.735 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.045 8.890 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.947 8.683 10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.094 6.597 11.929 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.900 6.538 10.189 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.147 5.296 11.862 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.630 5.961 10.325 1.00 0.00 H new ATOM 617 N PRO A 44 -1.863 10.167 13.610 1.00 0.00 N ATOM 618 CA PRO A 44 -2.352 10.667 14.899 1.00 0.00 C ATOM 619 C PRO A 44 -3.709 10.080 15.271 1.00 0.00 C ATOM 620 O PRO A 44 -4.307 10.460 16.278 1.00 0.00 O ATOM 621 CB PRO A 44 -2.467 12.177 14.672 1.00 0.00 C ATOM 622 CG PRO A 44 -2.654 12.327 13.202 1.00 0.00 C ATOM 623 CD PRO A 44 -1.872 11.209 12.569 1.00 0.00 C ATOM 0 HA PRO A 44 -1.689 10.394 15.720 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.309 12.597 15.223 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.572 12.698 15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.709 12.266 12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.294 13.297 12.860 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.345 10.857 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.862 11.524 12.306 1.00 0.00 H new ATOM 631 N THR A 45 -4.190 9.149 14.453 1.00 0.00 N ATOM 632 CA THR A 45 -5.477 8.509 14.696 1.00 0.00 C ATOM 633 C THR A 45 -5.331 7.322 15.642 1.00 0.00 C ATOM 634 O THR A 45 -5.409 6.167 15.222 1.00 0.00 O ATOM 635 CB THR A 45 -6.122 8.028 13.383 1.00 0.00 C ATOM 636 OG1 THR A 45 -5.331 6.986 12.801 1.00 0.00 O ATOM 637 CG2 THR A 45 -6.262 9.177 12.396 1.00 0.00 C ATOM 0 H THR A 45 -3.707 8.821 13.616 1.00 0.00 H new ATOM 0 HA THR A 45 -6.121 9.259 15.155 1.00 0.00 H new ATOM 0 HB THR A 45 -7.116 7.644 13.612 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.238 6.250 13.441 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.720 8.813 11.476 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.889 9.955 12.830 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.277 9.587 12.173 1.00 0.00 H new ATOM 645 N LYS A 46 -5.118 7.613 16.921 1.00 0.00 N ATOM 646 CA LYS A 46 -4.963 6.570 17.928 1.00 0.00 C ATOM 647 C LYS A 46 -6.144 6.565 18.893 1.00 0.00 C ATOM 648 O LYS A 46 -6.531 5.517 19.409 1.00 0.00 O ATOM 649 CB LYS A 46 -3.659 6.771 18.703 1.00 0.00 C ATOM 650 CG LYS A 46 -3.455 8.194 19.192 1.00 0.00 C ATOM 651 CD LYS A 46 -2.298 8.287 20.173 1.00 0.00 C ATOM 652 CE LYS A 46 -2.289 9.623 20.899 1.00 0.00 C ATOM 653 NZ LYS A 46 -1.110 9.757 21.799 1.00 0.00 N ATOM 0 H LYS A 46 -5.049 8.563 17.285 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.931 5.608 17.416 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.647 6.096 19.559 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.820 6.491 18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.265 8.848 18.341 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.368 8.550 19.670 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.370 7.477 20.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.356 8.155 19.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.283 10.433 20.169 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.204 9.726 21.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.140 10.681 22.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.129 8.999 22.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.236 9.684 21.240 1.00 0.00 H new ATOM 667 N GLN A 47 -6.714 7.742 19.130 1.00 0.00 N ATOM 668 CA GLN A 47 -7.852 7.872 20.032 1.00 0.00 C ATOM 669 C GLN A 47 -8.980 8.661 19.376 1.00 0.00 C ATOM 670 O GLN A 47 -10.136 8.239 19.393 1.00 0.00 O ATOM 671 CB GLN A 47 -7.424 8.556 21.332 1.00 0.00 C ATOM 672 CG GLN A 47 -6.710 9.880 21.116 1.00 0.00 C ATOM 673 CD GLN A 47 -7.663 11.058 21.076 1.00 0.00 C ATOM 674 OE1 GLN A 47 -7.634 11.865 20.146 1.00 0.00 O ATOM 675 NE2 GLN A 47 -8.516 11.164 22.088 1.00 0.00 N ATOM 0 H GLN A 47 -6.406 8.619 18.710 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.219 6.871 20.260 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.305 8.725 21.951 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.768 7.885 21.887 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.985 10.032 21.915 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.151 9.838 20.181 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.506 10.473 22.838 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.181 11.937 22.115 1.00 0.00 H new ATOM 684 N GLN A 48 -8.636 9.808 18.799 1.00 0.00 N ATOM 685 CA GLN A 48 -9.620 10.656 18.138 1.00 0.00 C ATOM 686 C GLN A 48 -10.546 9.827 17.253 1.00 0.00 C ATOM 687 O GLN A 48 -11.740 9.707 17.527 1.00 0.00 O ATOM 688 CB GLN A 48 -8.921 11.729 17.302 1.00 0.00 C ATOM 689 CG GLN A 48 -9.870 12.772 16.735 1.00 0.00 C ATOM 690 CD GLN A 48 -10.306 13.790 17.771 1.00 0.00 C ATOM 691 OE1 GLN A 48 -9.601 14.037 18.750 1.00 0.00 O ATOM 692 NE2 GLN A 48 -11.473 14.388 17.560 1.00 0.00 N ATOM 0 H GLN A 48 -7.683 10.171 18.776 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.221 11.140 18.908 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.173 12.227 17.918 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.389 11.249 16.481 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.384 13.288 15.907 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.750 12.274 16.328 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.025 14.153 16.735 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.817 15.083 18.223 1.00 0.00 H new ATOM 701 N ASP A 49 -9.987 9.258 16.190 1.00 0.00 N ATOM 702 CA ASP A 49 -10.761 8.440 15.265 1.00 0.00 C ATOM 703 C ASP A 49 -10.898 7.013 15.784 1.00 0.00 C ATOM 704 O ASP A 49 -11.998 6.464 15.840 1.00 0.00 O ATOM 705 CB ASP A 49 -10.103 8.433 13.884 1.00 0.00 C ATOM 706 CG ASP A 49 -9.875 9.831 13.344 1.00 0.00 C ATOM 707 OD1 ASP A 49 -9.908 10.789 14.144 1.00 0.00 O ATOM 708 OD2 ASP A 49 -9.662 9.966 12.121 1.00 0.00 O ATOM 0 H ASP A 49 -9.000 9.349 15.948 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.758 8.874 15.182 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.149 7.909 13.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.731 7.876 13.189 1.00 0.00 H new ATOM 713 N GLY A 50 -9.772 6.416 16.164 1.00 0.00 N ATOM 714 CA GLY A 50 -9.788 5.057 16.673 1.00 0.00 C ATOM 715 C GLY A 50 -8.445 4.368 16.529 1.00 0.00 C ATOM 716 O GLY A 50 -7.629 4.754 15.693 1.00 0.00 O ATOM 0 H GLY A 50 -8.849 6.849 16.128 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.076 5.069 17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.547 4.482 16.142 1.00 0.00 H new ATOM 720 N GLU A 51 -8.215 3.347 17.349 1.00 0.00 N ATOM 721 CA GLU A 51 -6.960 2.606 17.311 1.00 0.00 C ATOM 722 C GLU A 51 -6.770 1.927 15.957 1.00 0.00 C ATOM 723 O GLU A 51 -7.617 1.148 15.517 1.00 0.00 O ATOM 724 CB GLU A 51 -6.925 1.561 18.428 1.00 0.00 C ATOM 725 CG GLU A 51 -7.959 0.460 18.263 1.00 0.00 C ATOM 726 CD GLU A 51 -7.927 -0.545 19.398 1.00 0.00 C ATOM 727 OE1 GLU A 51 -6.994 -1.375 19.429 1.00 0.00 O ATOM 728 OE2 GLU A 51 -8.834 -0.502 20.256 1.00 0.00 O ATOM 0 H GLU A 51 -8.881 3.015 18.047 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.145 3.314 17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.932 1.113 18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.085 2.058 19.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.952 0.905 18.205 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.786 -0.057 17.319 1.00 0.00 H new ATOM 735 N LEU A 52 -5.654 2.228 15.302 1.00 0.00 N ATOM 736 CA LEU A 52 -5.352 1.648 13.998 1.00 0.00 C ATOM 737 C LEU A 52 -5.232 0.130 14.092 1.00 0.00 C ATOM 738 O LEU A 52 -4.669 -0.400 15.050 1.00 0.00 O ATOM 739 CB LEU A 52 -4.056 2.240 13.442 1.00 0.00 C ATOM 740 CG LEU A 52 -3.358 1.424 12.354 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.580 2.337 11.419 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.437 0.384 12.976 1.00 0.00 C ATOM 0 H LEU A 52 -4.943 2.870 15.653 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.173 1.888 13.322 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.275 3.230 13.042 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.359 2.377 14.269 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.119 0.904 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.090 1.739 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.264 3.043 10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.828 2.885 11.987 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.948 -0.188 12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.682 0.883 13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.020 -0.289 13.604 1.00 0.00 H new ATOM 754 N VAL A 53 -5.762 -0.564 13.090 1.00 0.00 N ATOM 755 CA VAL A 53 -5.712 -2.021 13.058 1.00 0.00 C ATOM 756 C VAL A 53 -4.665 -2.512 12.065 1.00 0.00 C ATOM 757 O VAL A 53 -4.029 -3.544 12.276 1.00 0.00 O ATOM 758 CB VAL A 53 -7.080 -2.622 12.685 1.00 0.00 C ATOM 759 CG1 VAL A 53 -8.133 -2.228 13.709 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.491 -2.182 11.288 1.00 0.00 C ATOM 0 H VAL A 53 -6.231 -0.141 12.289 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.441 -2.351 14.061 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.994 -3.709 12.688 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.093 -2.662 13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.841 -2.597 14.692 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.221 -1.142 13.741 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.460 -2.616 11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.561 -1.095 11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.747 -2.520 10.567 1.00 0.00 H new ATOM 770 N GLY A 54 -4.490 -1.765 10.979 1.00 0.00 N ATOM 771 CA GLY A 54 -3.519 -2.140 9.968 1.00 0.00 C ATOM 772 C GLY A 54 -3.388 -1.099 8.874 1.00 0.00 C ATOM 773 O GLY A 54 -3.979 -0.022 8.959 1.00 0.00 O ATOM 0 H GLY A 54 -5.004 -0.906 10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.548 -2.291 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.810 -3.093 9.525 1.00 0.00 H new ATOM 777 N TYR A 55 -2.611 -1.419 7.845 1.00 0.00 N ATOM 778 CA TYR A 55 -2.401 -0.501 6.732 1.00 0.00 C ATOM 779 C TYR A 55 -2.710 -1.179 5.401 1.00 0.00 C ATOM 780 O TYR A 55 -2.702 -2.406 5.300 1.00 0.00 O ATOM 781 CB TYR A 55 -0.961 0.014 6.733 1.00 0.00 C ATOM 782 CG TYR A 55 -0.546 0.653 8.039 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.328 -0.119 9.173 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.374 2.027 8.139 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.050 0.460 10.369 1.00 0.00 C ATOM 786 CE2 TYR A 55 0.005 2.615 9.330 1.00 0.00 C ATOM 787 CZ TYR A 55 0.216 1.827 10.443 1.00 0.00 C ATOM 788 OH TYR A 55 0.592 2.409 11.632 1.00 0.00 O ATOM 0 H TYR A 55 -2.116 -2.307 7.759 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.081 0.342 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.288 -0.815 6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.844 0.741 5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.456 -1.190 9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.539 2.647 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.215 -0.155 11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.135 3.685 9.390 1.00 0.00 H new ATOM 0 HH TYR A 55 1.443 2.880 11.511 1.00 0.00 H new ATOM 798 N ARG A 56 -2.983 -0.371 4.382 1.00 0.00 N ATOM 799 CA ARG A 56 -3.295 -0.892 3.056 1.00 0.00 C ATOM 800 C ARG A 56 -2.357 -0.304 2.006 1.00 0.00 C ATOM 801 O ARG A 56 -2.482 0.862 1.631 1.00 0.00 O ATOM 802 CB ARG A 56 -4.747 -0.578 2.691 1.00 0.00 C ATOM 803 CG ARG A 56 -5.240 -1.322 1.461 1.00 0.00 C ATOM 804 CD ARG A 56 -6.757 -1.431 1.446 1.00 0.00 C ATOM 805 NE ARG A 56 -7.227 -2.627 2.140 1.00 0.00 N ATOM 806 CZ ARG A 56 -8.471 -3.083 2.058 1.00 0.00 C ATOM 807 NH1 ARG A 56 -9.367 -2.447 1.315 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.823 -4.179 2.719 1.00 0.00 N ATOM 0 H ARG A 56 -2.995 0.647 4.449 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.158 -1.973 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.388 -0.827 3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.846 0.494 2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.902 -0.805 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.802 -2.320 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.189 -0.547 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.109 -1.449 0.415 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.563 -3.140 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.101 -1.605 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.322 -2.800 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.137 -4.672 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.779 -4.528 2.655 1.00 0.00 H new ATOM 822 N ILE A 57 -1.419 -1.119 1.536 1.00 0.00 N ATOM 823 CA ILE A 57 -0.460 -0.680 0.530 1.00 0.00 C ATOM 824 C ILE A 57 -0.889 -1.120 -0.866 1.00 0.00 C ATOM 825 O ILE A 57 -1.016 -2.313 -1.141 1.00 0.00 O ATOM 826 CB ILE A 57 0.950 -1.229 0.818 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.347 -0.940 2.267 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.960 -0.623 -0.145 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.603 -1.660 2.704 1.00 0.00 C ATOM 0 H ILE A 57 -1.303 -2.087 1.836 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.433 0.409 0.574 1.00 0.00 H new ATOM 0 HB ILE A 57 0.941 -2.309 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.492 0.133 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.526 -1.227 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.952 -1.020 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.683 -0.875 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.970 0.461 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.824 -1.408 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.455 -2.736 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.436 -1.355 2.071 1.00 0.00 H new ATOM 841 N SER A 58 -1.110 -0.147 -1.745 1.00 0.00 N ATOM 842 CA SER A 58 -1.526 -0.433 -3.113 1.00 0.00 C ATOM 843 C SER A 58 -0.357 -0.279 -4.081 1.00 0.00 C ATOM 844 O SER A 58 0.138 0.826 -4.304 1.00 0.00 O ATOM 845 CB SER A 58 -2.670 0.495 -3.525 1.00 0.00 C ATOM 846 OG SER A 58 -2.906 0.425 -4.921 1.00 0.00 O ATOM 0 H SER A 58 -1.008 0.846 -1.534 1.00 0.00 H new ATOM 0 HA SER A 58 -1.873 -1.466 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.577 0.221 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.430 1.521 -3.245 1.00 0.00 H new ATOM 0 HG SER A 58 -3.643 1.026 -5.159 1.00 0.00 H new ATOM 852 N HIS A 59 0.081 -1.396 -4.653 1.00 0.00 N ATOM 853 CA HIS A 59 1.193 -1.386 -5.597 1.00 0.00 C ATOM 854 C HIS A 59 0.742 -1.874 -6.971 1.00 0.00 C ATOM 855 O HIS A 59 0.336 -3.025 -7.130 1.00 0.00 O ATOM 856 CB HIS A 59 2.335 -2.262 -5.082 1.00 0.00 C ATOM 857 CG HIS A 59 1.923 -3.670 -4.782 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.457 -4.765 -5.429 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.022 -4.160 -3.898 1.00 0.00 C ATOM 860 CE1 HIS A 59 1.902 -5.867 -4.956 1.00 0.00 C ATOM 861 NE2 HIS A 59 1.029 -5.527 -4.026 1.00 0.00 N ATOM 0 H HIS A 59 -0.317 -2.319 -4.479 1.00 0.00 H new ATOM 0 HA HIS A 59 1.548 -0.360 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.134 -2.276 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.747 -1.813 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.412 -3.583 -3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.125 -6.874 -5.276 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.453 -6.175 -3.489 1.00 0.00 H new ATOM 870 N VAL A 60 0.816 -0.990 -7.961 1.00 0.00 N ATOM 871 CA VAL A 60 0.416 -1.330 -9.321 1.00 0.00 C ATOM 872 C VAL A 60 1.617 -1.342 -10.260 1.00 0.00 C ATOM 873 O VAL A 60 2.648 -0.733 -9.974 1.00 0.00 O ATOM 874 CB VAL A 60 -0.634 -0.341 -9.861 1.00 0.00 C ATOM 875 CG1 VAL A 60 -0.735 -0.443 -11.376 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.986 -0.592 -9.211 1.00 0.00 C ATOM 0 H VAL A 60 1.149 -0.033 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.021 -2.328 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.317 0.671 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.482 0.263 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.232 -0.210 -11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.028 -1.456 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.716 0.116 -9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.312 -1.609 -9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.901 -0.463 -8.132 1.00 0.00 H new ATOM 886 N TRP A 61 1.477 -2.038 -11.382 1.00 0.00 N ATOM 887 CA TRP A 61 2.551 -2.130 -12.364 1.00 0.00 C ATOM 888 C TRP A 61 2.035 -1.818 -13.765 1.00 0.00 C ATOM 889 O TRP A 61 1.166 -2.516 -14.285 1.00 0.00 O ATOM 890 CB TRP A 61 3.178 -3.524 -12.337 1.00 0.00 C ATOM 891 CG TRP A 61 3.645 -3.939 -10.974 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.868 -4.371 -9.938 1.00 0.00 C ATOM 893 CD2 TRP A 61 4.996 -3.958 -10.501 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.654 -4.658 -8.848 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.964 -4.414 -9.168 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.230 -3.638 -11.073 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.117 -4.554 -8.402 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.374 -3.777 -10.311 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.312 -4.233 -8.987 1.00 0.00 C ATOM 0 H TRP A 61 0.630 -2.547 -11.635 1.00 0.00 H new ATOM 0 HA TRP A 61 3.311 -1.393 -12.104 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.450 -4.249 -12.700 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.023 -3.548 -13.026 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.793 -4.472 -9.970 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.317 -4.997 -7.947 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.288 -3.288 -12.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.071 -4.904 -7.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.333 -3.530 -10.743 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.224 -4.333 -8.418 1.00 0.00 H new ATOM 910 N GLN A 62 2.577 -0.766 -14.370 1.00 0.00 N ATOM 911 CA GLN A 62 2.170 -0.363 -15.711 1.00 0.00 C ATOM 912 C GLN A 62 3.359 -0.372 -16.666 1.00 0.00 C ATOM 913 O GLN A 62 4.313 0.387 -16.494 1.00 0.00 O ATOM 914 CB GLN A 62 1.538 1.030 -15.678 1.00 0.00 C ATOM 915 CG GLN A 62 0.038 1.011 -15.434 1.00 0.00 C ATOM 916 CD GLN A 62 -0.644 2.284 -15.894 1.00 0.00 C ATOM 917 OE1 GLN A 62 -1.261 2.321 -16.960 1.00 0.00 O ATOM 918 NE2 GLN A 62 -0.537 3.337 -15.092 1.00 0.00 N ATOM 0 H GLN A 62 3.299 -0.178 -13.953 1.00 0.00 H new ATOM 0 HA GLN A 62 1.433 -1.080 -16.071 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.018 1.619 -14.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.738 1.533 -16.624 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.400 0.160 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.151 0.866 -14.370 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.016 3.262 -14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.975 4.221 -15.350 1.00 0.00 H new ATOM 927 N SER A 63 3.295 -1.236 -17.674 1.00 0.00 N ATOM 928 CA SER A 63 4.369 -1.347 -18.655 1.00 0.00 C ATOM 929 C SER A 63 3.829 -1.179 -20.072 1.00 0.00 C ATOM 930 O SER A 63 2.653 -1.429 -20.334 1.00 0.00 O ATOM 931 CB SER A 63 5.072 -2.700 -18.522 1.00 0.00 C ATOM 932 OG SER A 63 5.630 -3.108 -19.759 1.00 0.00 O ATOM 0 H SER A 63 2.511 -1.869 -17.833 1.00 0.00 H new ATOM 0 HA SER A 63 5.088 -0.551 -18.462 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.858 -2.633 -17.769 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.361 -3.450 -18.175 1.00 0.00 H new ATOM 0 HG SER A 63 6.075 -3.974 -19.647 1.00 0.00 H new ATOM 938 N ALA A 64 4.698 -0.753 -20.983 1.00 0.00 N ATOM 939 CA ALA A 64 4.311 -0.552 -22.373 1.00 0.00 C ATOM 940 C ALA A 64 3.823 -1.854 -23.000 1.00 0.00 C ATOM 941 O ALA A 64 4.620 -2.724 -23.348 1.00 0.00 O ATOM 942 CB ALA A 64 5.477 0.015 -23.169 1.00 0.00 C ATOM 0 H ALA A 64 5.675 -0.540 -20.783 1.00 0.00 H new ATOM 0 HA ALA A 64 3.488 0.163 -22.396 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.173 0.160 -24.206 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.778 0.972 -22.742 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.316 -0.680 -23.130 1.00 0.00 H new ATOM 948 N GLY A 65 2.507 -1.980 -23.142 1.00 0.00 N ATOM 949 CA GLY A 65 1.935 -3.180 -23.726 1.00 0.00 C ATOM 950 C GLY A 65 1.374 -4.123 -22.681 1.00 0.00 C ATOM 951 O GLY A 65 0.505 -4.943 -22.978 1.00 0.00 O ATOM 0 H GLY A 65 1.827 -1.273 -22.863 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.143 -2.900 -24.421 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.699 -3.698 -24.305 1.00 0.00 H new ATOM 955 N ILE A 66 1.873 -4.009 -21.455 1.00 0.00 N ATOM 956 CA ILE A 66 1.416 -4.860 -20.363 1.00 0.00 C ATOM 957 C ILE A 66 1.089 -4.034 -19.123 1.00 0.00 C ATOM 958 O ILE A 66 1.925 -3.275 -18.632 1.00 0.00 O ATOM 959 CB ILE A 66 2.470 -5.921 -19.996 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.506 -7.023 -21.057 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.176 -6.508 -18.624 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.143 -7.592 -21.383 1.00 0.00 C ATOM 0 H ILE A 66 2.593 -3.336 -21.193 1.00 0.00 H new ATOM 0 HA ILE A 66 0.514 -5.362 -20.711 1.00 0.00 H new ATOM 0 HB ILE A 66 3.449 -5.443 -19.962 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.952 -6.624 -21.968 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.154 -7.828 -20.711 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.930 -7.256 -18.379 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.196 -5.715 -17.877 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.191 -6.974 -18.631 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.245 -8.368 -22.142 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.703 -8.021 -20.483 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.498 -6.798 -21.760 1.00 0.00 H new ATOM 974 N SER A 67 -0.132 -4.189 -18.620 1.00 0.00 N ATOM 975 CA SER A 67 -0.570 -3.457 -17.438 1.00 0.00 C ATOM 976 C SER A 67 -1.130 -4.409 -16.385 1.00 0.00 C ATOM 977 O SER A 67 -2.164 -5.044 -16.592 1.00 0.00 O ATOM 978 CB SER A 67 -1.629 -2.420 -17.818 1.00 0.00 C ATOM 979 OG SER A 67 -2.896 -3.027 -18.000 1.00 0.00 O ATOM 0 H SER A 67 -0.835 -4.815 -19.013 1.00 0.00 H new ATOM 0 HA SER A 67 0.295 -2.946 -17.017 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.695 -1.661 -17.039 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.331 -1.911 -18.735 1.00 0.00 H new ATOM 0 HG SER A 67 -2.813 -3.997 -17.889 1.00 0.00 H new ATOM 985 N LYS A 68 -0.438 -4.503 -15.255 1.00 0.00 N ATOM 986 CA LYS A 68 -0.865 -5.376 -14.167 1.00 0.00 C ATOM 987 C LYS A 68 -1.195 -4.567 -12.918 1.00 0.00 C ATOM 988 O LYS A 68 -0.653 -3.482 -12.709 1.00 0.00 O ATOM 989 CB LYS A 68 0.227 -6.400 -13.850 1.00 0.00 C ATOM 990 CG LYS A 68 0.295 -7.546 -14.845 1.00 0.00 C ATOM 991 CD LYS A 68 -0.645 -8.676 -14.459 1.00 0.00 C ATOM 992 CE LYS A 68 -0.471 -9.882 -15.370 1.00 0.00 C ATOM 993 NZ LYS A 68 -1.197 -9.713 -16.658 1.00 0.00 N ATOM 0 H LYS A 68 0.421 -3.986 -15.068 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.765 -5.900 -14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.192 -5.894 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.055 -6.805 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.038 -7.181 -15.840 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.316 -7.923 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.458 -8.969 -13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.676 -8.326 -14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.589 -10.037 -15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.834 -10.776 -14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.054 -10.556 -17.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.213 -9.590 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.833 -8.875 -17.154 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.088 -5.102 -12.090 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.489 -4.428 -10.861 1.00 0.00 C ATOM 1009 C GLU A 69 -2.494 -5.400 -9.684 1.00 0.00 C ATOM 1010 O GLU A 69 -3.151 -6.441 -9.727 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.876 -3.803 -11.026 1.00 0.00 C ATOM 1012 CG GLU A 69 -3.971 -2.830 -12.189 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.292 -2.086 -12.221 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -5.578 -1.344 -11.258 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.040 -2.246 -13.209 1.00 0.00 O ATOM 0 H GLU A 69 -2.547 -5.999 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.765 -3.640 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.609 -4.598 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.143 -3.283 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.155 -2.111 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.842 -3.374 -13.125 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.756 -5.053 -8.636 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.674 -5.894 -7.446 1.00 0.00 C ATOM 1024 C LEU A 70 -1.973 -5.087 -6.187 1.00 0.00 C ATOM 1025 O LEU A 70 -1.860 -3.860 -6.181 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.286 -6.528 -7.341 1.00 0.00 C ATOM 1027 CG LEU A 70 0.125 -7.439 -8.498 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.640 -7.498 -8.620 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.451 -8.835 -8.308 1.00 0.00 C ATOM 0 H LEU A 70 -1.206 -4.196 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.421 -6.682 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.451 -5.729 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.241 -7.105 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.277 -7.024 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.913 -8.151 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.030 -6.497 -8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.065 -7.889 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.148 -9.470 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.079 -9.258 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.539 -8.778 -8.272 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.353 -5.783 -5.121 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.667 -5.131 -3.854 1.00 0.00 C ATOM 1043 C LEU A 71 -2.117 -5.933 -2.679 1.00 0.00 C ATOM 1044 O LEU A 71 -2.336 -7.140 -2.582 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.180 -4.961 -3.706 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.643 -3.757 -2.886 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -3.960 -3.742 -1.527 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.368 -2.462 -3.637 1.00 0.00 C ATOM 0 H LEU A 71 -2.451 -6.798 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.196 -4.148 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.616 -4.886 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.584 -5.864 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.718 -3.841 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.302 -2.878 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.208 -4.655 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.880 -3.683 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.704 -1.616 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.298 -2.371 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.904 -2.471 -4.586 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.403 -5.252 -1.788 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.823 -5.902 -0.618 1.00 0.00 C ATOM 1062 C GLU A 72 -1.670 -5.642 0.625 1.00 0.00 C ATOM 1063 O GLU A 72 -2.413 -4.664 0.687 1.00 0.00 O ATOM 1064 CB GLU A 72 0.606 -5.406 -0.388 1.00 0.00 C ATOM 1065 CG GLU A 72 1.486 -6.404 0.346 1.00 0.00 C ATOM 1066 CD GLU A 72 2.732 -5.765 0.928 1.00 0.00 C ATOM 1067 OE1 GLU A 72 3.195 -4.749 0.370 1.00 0.00 O ATOM 1068 OE2 GLU A 72 3.244 -6.282 1.943 1.00 0.00 O ATOM 0 H GLU A 72 -1.212 -4.252 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.802 -6.976 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.060 -5.173 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.572 -4.477 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.912 -6.868 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.777 -7.200 -0.340 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.550 -6.526 1.610 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.306 -6.393 2.850 1.00 0.00 C ATOM 1077 C GLU A 73 -1.398 -6.575 4.063 1.00 0.00 C ATOM 1078 O GLU A 73 -0.714 -7.590 4.195 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.443 -7.417 2.893 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.341 -7.380 1.668 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.468 -8.392 1.741 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.353 -8.232 2.608 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.465 -9.343 0.933 1.00 0.00 O ATOM 0 H GLU A 73 -0.938 -7.341 1.574 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.729 -5.389 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.018 -8.416 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.048 -7.239 3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.762 -6.380 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.743 -7.572 0.777 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.395 -5.582 4.947 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.572 -5.631 6.149 1.00 0.00 C ATOM 1092 C VAL A 74 -1.356 -5.166 7.371 1.00 0.00 C ATOM 1093 O VAL A 74 -2.137 -4.218 7.297 1.00 0.00 O ATOM 1094 CB VAL A 74 0.691 -4.761 6.001 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.817 -5.558 5.362 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.384 -3.511 5.189 1.00 0.00 C ATOM 0 H VAL A 74 -1.954 -4.734 4.853 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.274 -6.670 6.286 1.00 0.00 H new ATOM 0 HB VAL A 74 1.016 -4.451 6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.700 -4.927 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.053 -6.420 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.506 -5.900 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.287 -2.908 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.034 -3.798 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.389 -2.930 5.693 1.00 0.00 H new ATOM 1106 N GLY A 75 -1.140 -5.839 8.497 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.834 -5.480 9.721 1.00 0.00 C ATOM 1108 C GLY A 75 -1.075 -4.452 10.537 1.00 0.00 C ATOM 1109 O GLY A 75 0.005 -4.013 10.143 1.00 0.00 O ATOM 0 H GLY A 75 -0.497 -6.626 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.820 -5.087 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.989 -6.375 10.323 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.643 -4.066 11.675 1.00 0.00 N ATOM 1114 CA GLN A 76 -1.013 -3.081 12.546 1.00 0.00 C ATOM 1115 C GLN A 76 0.478 -3.362 12.697 1.00 0.00 C ATOM 1116 O GLN A 76 1.298 -2.445 12.668 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.686 -3.081 13.920 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.873 -4.472 14.506 1.00 0.00 C ATOM 1119 CD GLN A 76 -3.065 -4.557 15.438 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -4.154 -4.078 15.118 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.867 -5.169 16.600 1.00 0.00 N ATOM 0 H GLN A 76 -2.537 -4.420 12.015 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.134 -2.099 12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.088 -2.483 14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.659 -2.596 13.839 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.999 -5.190 13.695 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.972 -4.758 15.048 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.949 -5.552 16.825 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.633 -5.256 17.267 1.00 0.00 H new ATOM 1130 N ASN A 77 0.822 -4.635 12.857 1.00 0.00 N ATOM 1131 CA ASN A 77 2.216 -5.036 13.013 1.00 0.00 C ATOM 1132 C ASN A 77 2.858 -5.312 11.657 1.00 0.00 C ATOM 1133 O ASN A 77 2.712 -6.398 11.098 1.00 0.00 O ATOM 1134 CB ASN A 77 2.314 -6.281 13.898 1.00 0.00 C ATOM 1135 CG ASN A 77 2.049 -5.973 15.360 1.00 0.00 C ATOM 1136 OD1 ASN A 77 0.825 -6.229 15.806 1.00 0.00 O flip ATOM 1137 ND2 ASN A 77 2.935 -5.511 16.079 1.00 0.00 N flip ATOM 0 H ASN A 77 0.156 -5.407 12.882 1.00 0.00 H new ATOM 0 HA ASN A 77 2.753 -4.216 13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.599 -7.027 13.551 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.307 -6.719 13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.862 -5.330 15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.742 -5.309 17.060 1.00 0.00 H new ATOM 1144 N GLY A 78 3.570 -4.319 11.133 1.00 0.00 N ATOM 1145 CA GLY A 78 4.224 -4.474 9.847 1.00 0.00 C ATOM 1146 C GLY A 78 4.697 -3.152 9.274 1.00 0.00 C ATOM 1147 O GLY A 78 4.712 -2.965 8.057 1.00 0.00 O ATOM 0 H GLY A 78 3.705 -3.410 11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.076 -5.145 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.534 -4.944 9.146 1.00 0.00 H new ATOM 1151 N SER A 79 5.083 -2.232 10.152 1.00 0.00 N ATOM 1152 CA SER A 79 5.553 -0.919 9.727 1.00 0.00 C ATOM 1153 C SER A 79 6.379 -1.025 8.449 1.00 0.00 C ATOM 1154 O SER A 79 6.374 -0.118 7.616 1.00 0.00 O ATOM 1155 CB SER A 79 6.387 -0.270 10.834 1.00 0.00 C ATOM 1156 OG SER A 79 5.577 0.086 11.940 1.00 0.00 O ATOM 0 H SER A 79 5.079 -2.372 11.162 1.00 0.00 H new ATOM 0 HA SER A 79 4.682 -0.296 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.167 -0.959 11.157 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.887 0.617 10.445 1.00 0.00 H new ATOM 0 HG SER A 79 6.133 0.497 12.634 1.00 0.00 H new ATOM 1162 N ARG A 80 7.087 -2.140 8.300 1.00 0.00 N ATOM 1163 CA ARG A 80 7.918 -2.366 7.124 1.00 0.00 C ATOM 1164 C ARG A 80 7.305 -3.431 6.220 1.00 0.00 C ATOM 1165 O ARG A 80 6.824 -4.460 6.695 1.00 0.00 O ATOM 1166 CB ARG A 80 9.328 -2.787 7.543 1.00 0.00 C ATOM 1167 CG ARG A 80 10.225 -3.161 6.374 1.00 0.00 C ATOM 1168 CD ARG A 80 11.259 -4.201 6.776 1.00 0.00 C ATOM 1169 NE ARG A 80 10.641 -5.460 7.183 1.00 0.00 N ATOM 1170 CZ ARG A 80 11.272 -6.628 7.164 1.00 0.00 C ATOM 1171 NH1 ARG A 80 12.534 -6.698 6.763 1.00 0.00 N ATOM 1172 NH2 ARG A 80 10.642 -7.731 7.549 1.00 0.00 N ATOM 0 H ARG A 80 7.102 -2.901 8.979 1.00 0.00 H new ATOM 0 HA ARG A 80 7.976 -1.431 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.791 -1.972 8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.258 -3.637 8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.617 -3.548 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.730 -2.270 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.934 -4.383 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.864 -3.813 7.596 1.00 0.00 H new ATOM 0 HE ARG A 80 9.671 -5.441 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.023 -5.853 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.016 -7.597 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.672 -7.682 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.128 -8.628 7.534 1.00 0.00 H new ATOM 1186 N ALA A 81 7.325 -3.177 4.916 1.00 0.00 N ATOM 1187 CA ALA A 81 6.773 -4.115 3.946 1.00 0.00 C ATOM 1188 C ALA A 81 7.716 -4.300 2.763 1.00 0.00 C ATOM 1189 O ALA A 81 8.498 -3.407 2.435 1.00 0.00 O ATOM 1190 CB ALA A 81 5.410 -3.637 3.468 1.00 0.00 C ATOM 0 H ALA A 81 7.718 -2.329 4.507 1.00 0.00 H new ATOM 0 HA ALA A 81 6.656 -5.081 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.009 -4.346 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.732 -3.563 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.512 -2.658 2.999 1.00 0.00 H new ATOM 1196 N ARG A 82 7.638 -5.463 2.126 1.00 0.00 N ATOM 1197 CA ARG A 82 8.486 -5.766 0.979 1.00 0.00 C ATOM 1198 C ARG A 82 7.684 -6.447 -0.126 1.00 0.00 C ATOM 1199 O ARG A 82 6.859 -7.321 0.141 1.00 0.00 O ATOM 1200 CB ARG A 82 9.653 -6.660 1.403 1.00 0.00 C ATOM 1201 CG ARG A 82 10.576 -7.041 0.258 1.00 0.00 C ATOM 1202 CD ARG A 82 11.487 -8.198 0.637 1.00 0.00 C ATOM 1203 NE ARG A 82 12.439 -7.824 1.680 1.00 0.00 N ATOM 1204 CZ ARG A 82 13.543 -8.514 1.949 1.00 0.00 C ATOM 1205 NH1 ARG A 82 13.831 -9.606 1.255 1.00 0.00 N ATOM 1206 NH2 ARG A 82 14.360 -8.110 2.913 1.00 0.00 N ATOM 0 H ARG A 82 6.996 -6.212 2.385 1.00 0.00 H new ATOM 0 HA ARG A 82 8.879 -4.826 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.233 -6.147 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.257 -7.568 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.982 -7.315 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.180 -6.179 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.883 -9.038 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.030 -8.536 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 82 12.246 -6.988 2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.205 -9.918 0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.679 -10.134 1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.141 -7.270 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.207 -8.640 3.119 1.00 0.00 H new ATOM 1220 N ILE A 83 7.933 -6.040 -1.366 1.00 0.00 N ATOM 1221 CA ILE A 83 7.235 -6.611 -2.511 1.00 0.00 C ATOM 1222 C ILE A 83 8.220 -7.134 -3.551 1.00 0.00 C ATOM 1223 O ILE A 83 9.213 -6.477 -3.865 1.00 0.00 O ATOM 1224 CB ILE A 83 6.304 -5.580 -3.175 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.786 -4.584 -2.135 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.145 -6.280 -3.868 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.969 -3.458 -2.730 1.00 0.00 C ATOM 0 H ILE A 83 8.613 -5.317 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 83 6.635 -7.439 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 83 6.872 -5.031 -3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.177 -5.117 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.633 -4.161 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.496 -5.537 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.532 -6.953 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.575 -6.852 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.635 -2.791 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.581 -2.900 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.102 -3.871 -3.245 1.00 0.00 H new ATOM 1239 N SER A 84 7.937 -8.318 -4.084 1.00 0.00 N ATOM 1240 CA SER A 84 8.800 -8.930 -5.088 1.00 0.00 C ATOM 1241 C SER A 84 8.511 -8.360 -6.473 1.00 0.00 C ATOM 1242 O SER A 84 7.399 -8.479 -6.987 1.00 0.00 O ATOM 1243 CB SER A 84 8.608 -10.448 -5.099 1.00 0.00 C ATOM 1244 OG SER A 84 8.665 -10.979 -3.786 1.00 0.00 O ATOM 0 H SER A 84 7.117 -8.873 -3.838 1.00 0.00 H new ATOM 0 HA SER A 84 9.834 -8.703 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.647 -10.693 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.379 -10.911 -5.716 1.00 0.00 H new ATOM 0 HG SER A 84 8.538 -11.950 -3.820 1.00 0.00 H new ATOM 1250 N VAL A 85 9.522 -7.738 -7.072 1.00 0.00 N ATOM 1251 CA VAL A 85 9.378 -7.149 -8.398 1.00 0.00 C ATOM 1252 C VAL A 85 8.743 -8.135 -9.372 1.00 0.00 C ATOM 1253 O VAL A 85 9.419 -9.010 -9.912 1.00 0.00 O ATOM 1254 CB VAL A 85 10.738 -6.693 -8.960 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.588 -6.203 -10.392 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.342 -5.610 -8.078 1.00 0.00 C ATOM 0 H VAL A 85 10.449 -7.629 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 85 8.728 -6.281 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 85 11.415 -7.547 -8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.559 -5.885 -10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.202 -7.010 -11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.895 -5.362 -10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.302 -5.299 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.669 -4.753 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.488 -6.000 -7.071 1.00 0.00 H new ATOM 1266 N GLN A 86 7.441 -7.986 -9.592 1.00 0.00 N ATOM 1267 CA GLN A 86 6.715 -8.864 -10.501 1.00 0.00 C ATOM 1268 C GLN A 86 6.972 -8.477 -11.954 1.00 0.00 C ATOM 1269 O GLN A 86 7.059 -9.337 -12.830 1.00 0.00 O ATOM 1270 CB GLN A 86 5.215 -8.812 -10.205 1.00 0.00 C ATOM 1271 CG GLN A 86 4.846 -9.362 -8.837 1.00 0.00 C ATOM 1272 CD GLN A 86 4.561 -10.851 -8.864 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.313 -11.428 -9.923 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.594 -11.481 -7.696 1.00 0.00 N ATOM 0 H GLN A 86 6.868 -7.266 -9.153 1.00 0.00 H new ATOM 0 HA GLN A 86 7.074 -9.882 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.875 -7.779 -10.276 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.682 -9.376 -10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.659 -9.164 -8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.969 -8.835 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.804 -10.963 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.409 -12.483 -7.652 1.00 0.00 H new ATOM 1283 N VAL A 87 7.093 -7.176 -12.202 1.00 0.00 N ATOM 1284 CA VAL A 87 7.341 -6.675 -13.548 1.00 0.00 C ATOM 1285 C VAL A 87 8.591 -5.804 -13.588 1.00 0.00 C ATOM 1286 O VAL A 87 8.866 -5.049 -12.655 1.00 0.00 O ATOM 1287 CB VAL A 87 6.144 -5.860 -14.073 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.561 -4.999 -15.255 1.00 0.00 C ATOM 1289 CG2 VAL A 87 4.997 -6.783 -14.454 1.00 0.00 C ATOM 0 H VAL A 87 7.023 -6.451 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 87 7.487 -7.545 -14.188 1.00 0.00 H new ATOM 0 HB VAL A 87 5.800 -5.200 -13.277 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.702 -4.431 -15.612 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.348 -4.311 -14.945 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.933 -5.637 -16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.160 -6.190 -14.823 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.326 -7.470 -15.234 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.681 -7.351 -13.579 1.00 0.00 H new ATOM 1299 N HIS A 88 9.347 -5.913 -14.676 1.00 0.00 N ATOM 1300 CA HIS A 88 10.570 -5.134 -14.839 1.00 0.00 C ATOM 1301 C HIS A 88 10.428 -4.133 -15.982 1.00 0.00 C ATOM 1302 O HIS A 88 9.672 -4.358 -16.926 1.00 0.00 O ATOM 1303 CB HIS A 88 11.758 -6.060 -15.101 1.00 0.00 C ATOM 1304 CG HIS A 88 12.455 -6.507 -13.853 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.472 -7.818 -13.429 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.165 -5.807 -12.936 1.00 0.00 C ATOM 1307 CE1 HIS A 88 13.160 -7.907 -12.304 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.591 -6.700 -11.984 1.00 0.00 N ATOM 0 H HIS A 88 9.135 -6.533 -15.458 1.00 0.00 H new ATOM 0 HA HIS A 88 10.746 -4.582 -13.916 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.411 -6.937 -15.648 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.474 -5.547 -15.743 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.360 -4.745 -12.951 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.339 -8.812 -11.742 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.150 -6.469 -11.163 1.00 0.00 H new ATOM 1317 N ASN A 89 11.160 -3.028 -15.889 1.00 0.00 N ATOM 1318 CA ASN A 89 11.114 -1.992 -16.915 1.00 0.00 C ATOM 1319 C ASN A 89 9.714 -1.397 -17.025 1.00 0.00 C ATOM 1320 O ASN A 89 9.232 -1.118 -18.123 1.00 0.00 O ATOM 1321 CB ASN A 89 11.546 -2.564 -18.266 1.00 0.00 C ATOM 1322 CG ASN A 89 11.895 -1.481 -19.268 1.00 0.00 C ATOM 1323 OD1 ASN A 89 12.986 -1.680 -19.999 1.00 0.00 O flip ATOM 1324 ND2 ASN A 89 11.192 -0.477 -19.384 1.00 0.00 N flip ATOM 0 H ASN A 89 11.792 -2.827 -15.114 1.00 0.00 H new ATOM 0 HA ASN A 89 11.804 -1.199 -16.627 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.409 -3.214 -18.123 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.744 -3.183 -18.669 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.362 -0.365 -18.801 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.439 0.243 -20.063 1.00 0.00 H new ATOM 1331 N ALA A 90 9.066 -1.206 -15.881 1.00 0.00 N ATOM 1332 CA ALA A 90 7.722 -0.642 -15.849 1.00 0.00 C ATOM 1333 C ALA A 90 7.592 0.403 -14.745 1.00 0.00 C ATOM 1334 O ALA A 90 8.456 0.515 -13.876 1.00 0.00 O ATOM 1335 CB ALA A 90 6.692 -1.745 -15.658 1.00 0.00 C ATOM 0 H ALA A 90 9.450 -1.434 -14.964 1.00 0.00 H new ATOM 0 HA ALA A 90 7.538 -0.149 -16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.693 -1.310 -15.636 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.761 -2.454 -16.483 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.883 -2.263 -14.718 1.00 0.00 H new ATOM 1341 N THR A 91 6.505 1.168 -14.787 1.00 0.00 N ATOM 1342 CA THR A 91 6.262 2.205 -13.792 1.00 0.00 C ATOM 1343 C THR A 91 5.329 1.706 -12.695 1.00 0.00 C ATOM 1344 O THR A 91 4.209 1.273 -12.969 1.00 0.00 O ATOM 1345 CB THR A 91 5.655 3.467 -14.433 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.536 3.110 -15.253 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.691 4.200 -15.271 1.00 0.00 C ATOM 0 H THR A 91 5.779 1.089 -15.499 1.00 0.00 H new ATOM 0 HA THR A 91 7.228 2.458 -13.356 1.00 0.00 H new ATOM 0 HB THR A 91 5.323 4.130 -13.634 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.967 2.474 -14.771 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.239 5.088 -15.714 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.528 4.496 -14.638 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.050 3.542 -16.063 1.00 0.00 H new ATOM 1355 N CYS A 92 5.796 1.771 -11.453 1.00 0.00 N ATOM 1356 CA CYS A 92 5.002 1.326 -10.313 1.00 0.00 C ATOM 1357 C CYS A 92 4.689 2.491 -9.380 1.00 0.00 C ATOM 1358 O CYS A 92 5.512 3.388 -9.191 1.00 0.00 O ATOM 1359 CB CYS A 92 5.741 0.227 -9.548 1.00 0.00 C ATOM 1360 SG CYS A 92 4.869 -0.364 -8.078 1.00 0.00 S ATOM 0 H CYS A 92 6.720 2.127 -11.210 1.00 0.00 H new ATOM 0 HA CYS A 92 4.062 0.925 -10.691 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.913 -0.615 -10.219 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.720 0.602 -9.250 1.00 0.00 H new ATOM 0 HG CYS A 92 3.657 -0.706 -8.401 1.00 0.00 H new ATOM 1366 N THR A 93 3.494 2.472 -8.797 1.00 0.00 N ATOM 1367 CA THR A 93 3.072 3.528 -7.885 1.00 0.00 C ATOM 1368 C THR A 93 2.691 2.958 -6.524 1.00 0.00 C ATOM 1369 O THR A 93 1.768 2.151 -6.414 1.00 0.00 O ATOM 1370 CB THR A 93 1.876 4.315 -8.453 1.00 0.00 C ATOM 1371 OG1 THR A 93 2.079 4.578 -9.846 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.688 5.626 -7.706 1.00 0.00 C ATOM 0 H THR A 93 2.802 1.737 -8.940 1.00 0.00 H new ATOM 0 HA THR A 93 3.919 4.204 -7.768 1.00 0.00 H new ATOM 0 HB THR A 93 0.978 3.710 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.313 5.077 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.838 6.165 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.504 5.421 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.587 6.234 -7.806 1.00 0.00 H new ATOM 1380 N VAL A 94 3.407 3.384 -5.488 1.00 0.00 N ATOM 1381 CA VAL A 94 3.142 2.917 -4.132 1.00 0.00 C ATOM 1382 C VAL A 94 2.215 3.876 -3.392 1.00 0.00 C ATOM 1383 O VAL A 94 2.316 5.093 -3.543 1.00 0.00 O ATOM 1384 CB VAL A 94 4.446 2.759 -3.328 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.192 1.981 -2.046 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.512 2.078 -4.173 1.00 0.00 C ATOM 0 H VAL A 94 4.175 4.051 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 94 2.658 1.944 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 94 4.808 3.751 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.125 1.879 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.463 2.514 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.806 0.992 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.427 1.974 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.161 1.092 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.713 2.680 -5.059 1.00 0.00 H new ATOM 1396 N ARG A 95 1.312 3.317 -2.593 1.00 0.00 N ATOM 1397 CA ARG A 95 0.366 4.122 -1.830 1.00 0.00 C ATOM 1398 C ARG A 95 -0.039 3.411 -0.542 1.00 0.00 C ATOM 1399 O ARG A 95 -0.544 2.288 -0.575 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.876 4.423 -2.671 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.581 5.227 -3.927 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.856 5.768 -4.554 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.361 6.940 -3.845 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.142 7.858 -4.403 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.508 7.738 -5.672 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -3.561 8.897 -3.692 1.00 0.00 N ATOM 0 H ARG A 95 1.216 2.311 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 95 0.855 5.060 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.349 3.483 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.594 4.970 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.085 6.054 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.058 4.599 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.665 6.029 -5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.618 4.989 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.099 7.061 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.190 6.940 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.108 8.444 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.283 8.992 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.161 9.601 -4.122 1.00 0.00 H new ATOM 1420 N ILE A 96 0.187 4.071 0.589 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.155 3.501 1.886 1.00 0.00 C ATOM 1422 C ILE A 96 -1.257 4.306 2.567 1.00 0.00 C ATOM 1423 O ILE A 96 -1.285 5.534 2.482 1.00 0.00 O ATOM 1424 CB ILE A 96 1.071 3.442 2.816 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.291 2.918 2.055 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.778 2.567 4.025 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.492 2.665 2.938 1.00 0.00 C ATOM 0 H ILE A 96 0.605 5.000 0.633 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.510 2.487 1.701 1.00 0.00 H new ATOM 0 HB ILE A 96 1.291 4.450 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.022 1.992 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.563 3.637 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.654 2.536 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.066 2.980 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.536 1.557 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.318 2.295 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.787 3.594 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.237 1.923 3.695 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.161 3.606 3.244 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.263 4.256 3.943 1.00 0.00 C ATOM 1441 C ALA A 97 -3.566 3.553 5.262 1.00 0.00 C ATOM 1442 O ALA A 97 -3.528 2.326 5.346 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.502 4.287 3.062 1.00 0.00 C ATOM 0 H ALA A 97 -2.152 2.589 3.323 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.965 5.280 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.317 4.775 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.285 4.840 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.794 3.268 2.808 1.00 0.00 H new ATOM 1449 N ALA A 98 -3.867 4.340 6.291 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.179 3.792 7.605 1.00 0.00 C ATOM 1451 C ALA A 98 -5.646 3.389 7.698 1.00 0.00 C ATOM 1452 O ALA A 98 -6.537 4.163 7.346 1.00 0.00 O ATOM 1453 CB ALA A 98 -3.836 4.801 8.692 1.00 0.00 C ATOM 0 H ALA A 98 -3.901 5.358 6.239 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.574 2.897 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.074 4.379 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.773 5.036 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.416 5.711 8.539 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.892 2.172 8.175 1.00 0.00 N ATOM 1460 CA VAL A 99 -7.252 1.667 8.314 1.00 0.00 C ATOM 1461 C VAL A 99 -7.576 1.357 9.772 1.00 0.00 C ATOM 1462 O VAL A 99 -6.685 1.062 10.569 1.00 0.00 O ATOM 1463 CB VAL A 99 -7.468 0.396 7.471 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.149 0.666 6.008 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.623 -0.749 8.007 1.00 0.00 C ATOM 0 H VAL A 99 -5.167 1.519 8.471 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.919 2.450 7.954 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.517 0.107 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.307 -0.243 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.802 1.454 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.109 0.980 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.788 -1.639 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.569 -0.473 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.905 -0.957 9.039 1.00 0.00 H new ATOM 1475 N THR A 100 -8.859 1.424 10.114 1.00 0.00 N ATOM 1476 CA THR A 100 -9.302 1.151 11.476 1.00 0.00 C ATOM 1477 C THR A 100 -10.412 0.106 11.494 1.00 0.00 C ATOM 1478 O THR A 100 -10.761 -0.460 10.458 1.00 0.00 O ATOM 1479 CB THR A 100 -9.805 2.431 12.170 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.956 2.939 11.485 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.717 3.493 12.200 1.00 0.00 C ATOM 0 H THR A 100 -9.610 1.665 9.467 1.00 0.00 H new ATOM 0 HA THR A 100 -8.438 0.768 12.019 1.00 0.00 H new ATOM 0 HB THR A 100 -10.074 2.180 13.196 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.271 3.752 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.095 4.388 12.695 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.853 3.114 12.746 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.421 3.740 11.180 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.964 -0.143 12.677 1.00 0.00 N ATOM 1490 CA ARG A 101 -12.035 -1.121 12.829 1.00 0.00 C ATOM 1491 C ARG A 101 -13.367 -0.546 12.356 1.00 0.00 C ATOM 1492 O ARG A 101 -14.421 -1.148 12.556 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.147 -1.562 14.290 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.187 -2.679 14.664 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.701 -3.481 15.850 1.00 0.00 C ATOM 1496 NE ARG A 101 -10.653 -4.304 16.449 1.00 0.00 N ATOM 1497 CZ ARG A 101 -10.207 -5.432 15.909 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -10.714 -5.870 14.765 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -9.251 -6.126 16.515 1.00 0.00 N ATOM 0 H ARG A 101 -10.688 0.319 13.544 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.794 -1.987 12.213 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.961 -0.703 14.935 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.168 -1.891 14.484 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.046 -3.341 13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.211 -2.257 14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.102 -2.801 16.601 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.523 -4.119 15.527 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.242 -3.995 17.330 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.449 -5.340 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.369 -6.737 14.353 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.859 -5.793 17.396 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.909 -6.993 16.100 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.311 0.625 11.729 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.519 1.262 11.238 1.00 0.00 C ATOM 1515 C GLY A 102 -14.532 1.395 9.728 1.00 0.00 C ATOM 1516 O GLY A 102 -15.556 1.163 9.086 1.00 0.00 O ATOM 0 H GLY A 102 -12.451 1.144 11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.386 0.683 11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.613 2.251 11.687 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.391 1.772 9.159 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.298 1.931 7.719 1.00 0.00 C ATOM 1522 C GLY A 103 -11.886 2.238 7.260 1.00 0.00 C ATOM 1523 O GLY A 103 -10.993 2.457 8.079 1.00 0.00 O ATOM 0 H GLY A 103 -12.530 1.970 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.645 1.019 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.963 2.734 7.401 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.682 2.253 5.947 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.369 2.535 5.380 1.00 0.00 C ATOM 1529 C VAL A 104 -10.219 4.016 5.049 1.00 0.00 C ATOM 1530 O VAL A 104 -11.118 4.628 4.473 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.119 1.708 4.105 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.253 1.902 3.111 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.782 2.082 3.482 1.00 0.00 C ATOM 0 H VAL A 104 -12.410 2.073 5.255 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.633 2.258 6.135 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.085 0.653 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.058 1.310 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.191 1.580 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.323 2.956 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.621 1.488 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.785 3.141 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.981 1.885 4.194 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.076 4.586 5.418 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.829 5.991 5.152 1.00 0.00 C ATOM 1545 C GLY A 105 -8.175 6.220 3.803 1.00 0.00 C ATOM 1546 O GLY A 105 -7.842 5.278 3.083 1.00 0.00 O ATOM 0 H GLY A 105 -8.317 4.100 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.772 6.536 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.191 6.399 5.936 1.00 0.00 H new ATOM 1550 N PRO A 106 -7.982 7.497 3.444 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.362 7.876 2.170 1.00 0.00 C ATOM 1552 C PRO A 106 -5.877 7.537 2.125 1.00 0.00 C ATOM 1553 O PRO A 106 -5.169 7.666 3.124 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.567 9.392 2.114 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.684 9.812 3.538 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.353 8.670 4.252 1.00 0.00 C ATOM 0 HA PRO A 106 -7.801 7.341 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.729 9.887 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.464 9.650 1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.703 10.019 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.271 10.726 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.001 8.577 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.434 8.802 4.296 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.409 7.102 0.959 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.007 6.743 0.784 1.00 0.00 C ATOM 1566 C PHE A 107 -3.123 7.987 0.784 1.00 0.00 C ATOM 1567 O PHE A 107 -3.588 9.092 0.506 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.816 5.969 -0.522 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.402 4.586 -0.490 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.775 4.401 -0.515 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.580 3.472 -0.436 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.317 3.130 -0.485 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.116 2.198 -0.406 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.486 2.027 -0.432 1.00 0.00 C ATOM 0 H PHE A 107 -5.981 6.990 0.122 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.713 6.109 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.273 6.530 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.751 5.899 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.429 5.259 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.508 3.600 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.389 2.999 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.464 1.338 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.907 1.033 -0.411 1.00 0.00 H new ATOM 1584 N SER A 108 -1.846 7.798 1.099 1.00 0.00 N ATOM 1585 CA SER A 108 -0.897 8.905 1.141 1.00 0.00 C ATOM 1586 C SER A 108 -0.493 9.327 -0.268 1.00 0.00 C ATOM 1587 O SER A 108 -1.014 8.810 -1.257 1.00 0.00 O ATOM 1588 CB SER A 108 0.345 8.510 1.943 1.00 0.00 C ATOM 1589 OG SER A 108 1.024 7.427 1.330 1.00 0.00 O ATOM 0 H SER A 108 -1.444 6.889 1.329 1.00 0.00 H new ATOM 0 HA SER A 108 -1.383 9.750 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.016 9.365 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.055 8.235 2.957 1.00 0.00 H new ATOM 0 HG SER A 108 1.201 6.732 1.998 1.00 0.00 H new ATOM 1595 N ASP A 109 0.439 10.270 -0.352 1.00 0.00 N ATOM 1596 CA ASP A 109 0.915 10.763 -1.640 1.00 0.00 C ATOM 1597 C ASP A 109 1.505 9.628 -2.471 1.00 0.00 C ATOM 1598 O ASP A 109 2.365 8.874 -2.015 1.00 0.00 O ATOM 1599 CB ASP A 109 1.961 11.860 -1.435 1.00 0.00 C ATOM 1600 CG ASP A 109 1.593 12.807 -0.310 1.00 0.00 C ATOM 1601 OD1 ASP A 109 0.410 13.196 -0.225 1.00 0.00 O ATOM 1602 OD2 ASP A 109 2.490 13.161 0.484 1.00 0.00 O ATOM 0 H ASP A 109 0.880 10.709 0.456 1.00 0.00 H new ATOM 0 HA ASP A 109 0.064 11.180 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.926 11.402 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.076 12.426 -2.360 1.00 0.00 H new ATOM 1607 N PRO A 110 1.033 9.502 -3.720 1.00 0.00 N ATOM 1608 CA PRO A 110 1.500 8.461 -4.641 1.00 0.00 C ATOM 1609 C PRO A 110 2.935 8.696 -5.102 1.00 0.00 C ATOM 1610 O PRO A 110 3.321 9.823 -5.412 1.00 0.00 O ATOM 1611 CB PRO A 110 0.534 8.574 -5.823 1.00 0.00 C ATOM 1612 CG PRO A 110 0.049 9.982 -5.783 1.00 0.00 C ATOM 1613 CD PRO A 110 0.008 10.365 -4.330 1.00 0.00 C ATOM 0 HA PRO A 110 1.509 7.477 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.035 8.355 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.291 7.868 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.715 10.640 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.938 10.068 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.235 11.421 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.976 10.189 -3.896 1.00 0.00 H new ATOM 1621 N VAL A 111 3.720 7.625 -5.145 1.00 0.00 N ATOM 1622 CA VAL A 111 5.112 7.715 -5.570 1.00 0.00 C ATOM 1623 C VAL A 111 5.366 6.857 -6.805 1.00 0.00 C ATOM 1624 O VAL A 111 5.262 5.631 -6.755 1.00 0.00 O ATOM 1625 CB VAL A 111 6.071 7.276 -4.448 1.00 0.00 C ATOM 1626 CG1 VAL A 111 6.170 5.759 -4.393 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.444 7.901 -4.645 1.00 0.00 C ATOM 0 H VAL A 111 3.416 6.685 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 111 5.302 8.761 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 111 5.672 7.625 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.852 5.468 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.184 5.337 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.545 5.384 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.108 7.580 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.854 7.585 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.355 8.987 -4.629 1.00 0.00 H new ATOM 1637 N LYS A 112 5.701 7.509 -7.913 1.00 0.00 N ATOM 1638 CA LYS A 112 5.973 6.808 -9.162 1.00 0.00 C ATOM 1639 C LYS A 112 7.459 6.490 -9.296 1.00 0.00 C ATOM 1640 O LYS A 112 8.274 7.381 -9.536 1.00 0.00 O ATOM 1641 CB LYS A 112 5.511 7.649 -10.354 1.00 0.00 C ATOM 1642 CG LYS A 112 6.110 7.208 -11.678 1.00 0.00 C ATOM 1643 CD LYS A 112 5.784 8.189 -12.792 1.00 0.00 C ATOM 1644 CE LYS A 112 6.049 7.584 -14.162 1.00 0.00 C ATOM 1645 NZ LYS A 112 4.858 6.863 -14.690 1.00 0.00 N ATOM 0 H LYS A 112 5.791 8.523 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 112 5.419 5.870 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.424 7.601 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.773 8.692 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.191 7.117 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.730 6.220 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.738 8.488 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.382 9.092 -12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.334 8.373 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.891 6.895 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.018 6.612 -15.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.703 5.997 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.021 7.476 -14.617 1.00 0.00 H new ATOM 1659 N ILE A 113 7.803 5.216 -9.140 1.00 0.00 N ATOM 1660 CA ILE A 113 9.190 4.782 -9.246 1.00 0.00 C ATOM 1661 C ILE A 113 9.404 3.925 -10.489 1.00 0.00 C ATOM 1662 O ILE A 113 8.616 3.024 -10.778 1.00 0.00 O ATOM 1663 CB ILE A 113 9.627 3.983 -8.004 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.976 3.306 -8.254 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.570 2.951 -7.639 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.731 2.978 -6.985 1.00 0.00 C ATOM 0 H ILE A 113 7.140 4.467 -8.940 1.00 0.00 H new ATOM 0 HA ILE A 113 9.798 5.684 -9.320 1.00 0.00 H new ATOM 0 HB ILE A 113 9.738 4.673 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.814 2.388 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.591 3.957 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.893 2.394 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.628 3.455 -7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.430 2.263 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.677 2.500 -7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.925 3.896 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.136 2.302 -6.372 1.00 0.00 H new ATOM 1678 N PHE A 114 10.477 4.209 -11.220 1.00 0.00 N ATOM 1679 CA PHE A 114 10.796 3.463 -12.432 1.00 0.00 C ATOM 1680 C PHE A 114 11.539 2.173 -12.097 1.00 0.00 C ATOM 1681 O PHE A 114 12.589 2.198 -11.453 1.00 0.00 O ATOM 1682 CB PHE A 114 11.641 4.321 -13.376 1.00 0.00 C ATOM 1683 CG PHE A 114 12.533 3.518 -14.279 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.778 3.093 -13.844 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.127 3.189 -15.562 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.601 2.353 -14.673 1.00 0.00 C ATOM 1687 CE2 PHE A 114 12.945 2.449 -16.394 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.185 2.032 -15.950 1.00 0.00 C ATOM 0 H PHE A 114 11.140 4.950 -10.994 1.00 0.00 H new ATOM 0 HA PHE A 114 9.860 3.204 -12.927 1.00 0.00 H new ATOM 0 HB2 PHE A 114 10.979 4.936 -13.986 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.254 5.002 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.109 3.342 -12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.160 3.515 -15.916 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.569 2.026 -14.322 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.615 2.197 -17.391 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.827 1.456 -16.600 1.00 0.00 H new ATOM 1698 N ILE A 115 10.986 1.048 -12.537 1.00 0.00 N ATOM 1699 CA ILE A 115 11.596 -0.252 -12.285 1.00 0.00 C ATOM 1700 C ILE A 115 12.623 -0.594 -13.358 1.00 0.00 C ATOM 1701 O ILE A 115 12.287 -0.859 -14.513 1.00 0.00 O ATOM 1702 CB ILE A 115 10.537 -1.369 -12.228 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.331 -0.917 -11.403 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.138 -2.639 -11.646 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.636 -0.744 -9.931 1.00 0.00 C ATOM 0 H ILE A 115 10.117 1.010 -13.070 1.00 0.00 H new ATOM 0 HA ILE A 115 12.094 -0.185 -11.318 1.00 0.00 H new ATOM 0 HB ILE A 115 10.200 -1.582 -13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.961 0.027 -11.802 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.529 -1.647 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.377 -3.419 -11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 115 11.968 -2.968 -12.271 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.500 -2.441 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.735 -0.422 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.977 -1.692 -9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.416 0.008 -9.807 1.00 0.00 H new ATOM 1717 N PRO A 116 13.907 -0.592 -12.970 1.00 0.00 N ATOM 1718 CA PRO A 116 15.011 -0.903 -13.884 1.00 0.00 C ATOM 1719 C PRO A 116 15.033 -2.374 -14.286 1.00 0.00 C ATOM 1720 O PRO A 116 15.028 -3.261 -13.433 1.00 0.00 O ATOM 1721 CB PRO A 116 16.257 -0.553 -13.067 1.00 0.00 C ATOM 1722 CG PRO A 116 15.829 -0.689 -11.646 1.00 0.00 C ATOM 1723 CD PRO A 116 14.381 -0.286 -11.610 1.00 0.00 C ATOM 0 HA PRO A 116 14.931 -0.353 -14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.083 -1.225 -13.298 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.600 0.459 -13.282 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.958 -1.713 -11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.428 -0.052 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.827 -0.845 -10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.264 0.771 -11.372 1.00 0.00 H new ATOM 1731 N ALA A 117 15.059 -2.625 -15.591 1.00 0.00 N ATOM 1732 CA ALA A 117 15.084 -3.988 -16.106 1.00 0.00 C ATOM 1733 C ALA A 117 16.051 -4.858 -15.309 1.00 0.00 C ATOM 1734 O ALA A 117 16.910 -4.349 -14.588 1.00 0.00 O ATOM 1735 CB ALA A 117 15.463 -3.989 -17.579 1.00 0.00 C ATOM 0 H ALA A 117 15.063 -1.902 -16.310 1.00 0.00 H new ATOM 0 HA ALA A 117 14.084 -4.409 -15.999 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.478 -5.014 -17.950 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.732 -3.409 -18.143 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.451 -3.545 -17.701 1.00 0.00 H new ATOM 1741 N HIS A 118 15.905 -6.173 -15.443 1.00 0.00 N ATOM 1742 CA HIS A 118 16.765 -7.113 -14.734 1.00 0.00 C ATOM 1743 C HIS A 118 18.214 -6.975 -15.192 1.00 0.00 C ATOM 1744 O HIS A 118 19.116 -7.594 -14.627 1.00 0.00 O ATOM 1745 CB HIS A 118 16.282 -8.547 -14.957 1.00 0.00 C ATOM 1746 CG HIS A 118 16.042 -8.881 -16.397 1.00 0.00 C ATOM 1747 ND1 HIS A 118 16.762 -8.587 -17.506 1.00 0.00 N flip ATOM 1748 CD2 HIS A 118 14.949 -9.601 -16.831 1.00 0.00 C flip ATOM 1749 CE1 HIS A 118 16.098 -9.131 -18.578 1.00 0.00 C flip ATOM 1750 NE2 HIS A 118 15.008 -9.738 -18.144 1.00 0.00 N flip ATOM 0 H HIS A 118 15.200 -6.611 -16.036 1.00 0.00 H new ATOM 0 HA HIS A 118 16.715 -6.882 -13.670 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.021 -9.238 -14.551 1.00 0.00 H new ATOM 0 HB3 HIS A 118 15.359 -8.702 -14.398 1.00 0.00 H new ATOM 0 HD2 HIS A 118 14.167 -9.992 -16.197 1.00 0.00 H new ATOM 0 HE1 HIS A 118 16.415 -9.072 -19.609 1.00 0.00 H new ATOM 0 HE2 HIS A 118 14.327 -10.229 -18.724 1.00 0.00 H new ATOM 1759 N SER A 119 18.430 -6.161 -16.221 1.00 0.00 N ATOM 1760 CA SER A 119 19.768 -5.946 -16.758 1.00 0.00 C ATOM 1761 C SER A 119 20.455 -4.780 -16.053 1.00 0.00 C ATOM 1762 O SER A 119 19.817 -4.011 -15.336 1.00 0.00 O ATOM 1763 CB SER A 119 19.700 -5.678 -18.263 1.00 0.00 C ATOM 1764 OG SER A 119 19.311 -6.843 -18.971 1.00 0.00 O ATOM 0 H SER A 119 17.695 -5.640 -16.699 1.00 0.00 H new ATOM 0 HA SER A 119 20.352 -6.849 -16.583 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.991 -4.874 -18.461 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.673 -5.340 -18.620 1.00 0.00 H new ATOM 0 HG SER A 119 18.603 -7.306 -18.476 1.00 0.00 H new ATOM 1770 N GLY A 120 21.762 -4.657 -16.264 1.00 0.00 N ATOM 1771 CA GLY A 120 22.516 -3.583 -15.642 1.00 0.00 C ATOM 1772 C GLY A 120 24.013 -3.812 -15.708 1.00 0.00 C ATOM 1773 O GLY A 120 24.490 -4.947 -15.692 1.00 0.00 O ATOM 0 H GLY A 120 22.312 -5.281 -16.854 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.274 -2.641 -16.134 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.212 -3.486 -14.600 1.00 0.00 H new ATOM 1777 N PRO A 121 24.780 -2.715 -15.784 1.00 0.00 N ATOM 1778 CA PRO A 121 26.243 -2.776 -15.855 1.00 0.00 C ATOM 1779 C PRO A 121 26.868 -3.241 -14.544 1.00 0.00 C ATOM 1780 O PRO A 121 28.050 -3.582 -14.496 1.00 0.00 O ATOM 1781 CB PRO A 121 26.644 -1.329 -16.155 1.00 0.00 C ATOM 1782 CG PRO A 121 25.523 -0.507 -15.620 1.00 0.00 C ATOM 1783 CD PRO A 121 24.279 -1.331 -15.807 1.00 0.00 C ATOM 0 HA PRO A 121 26.585 -3.492 -16.603 1.00 0.00 H new ATOM 0 HB2 PRO A 121 27.588 -1.072 -15.674 1.00 0.00 H new ATOM 0 HB3 PRO A 121 26.777 -1.169 -17.225 1.00 0.00 H new ATOM 0 HG2 PRO A 121 25.680 -0.271 -14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 121 25.446 0.442 -16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 121 23.555 -1.152 -15.012 1.00 0.00 H new ATOM 0 HD3 PRO A 121 23.781 -1.099 -16.749 1.00 0.00 H new ATOM 1791 N SER A 122 26.068 -3.252 -13.483 1.00 0.00 N ATOM 1792 CA SER A 122 26.544 -3.673 -12.171 1.00 0.00 C ATOM 1793 C SER A 122 26.930 -5.149 -12.180 1.00 0.00 C ATOM 1794 O SER A 122 26.615 -5.878 -13.120 1.00 0.00 O ATOM 1795 CB SER A 122 25.470 -3.422 -11.111 1.00 0.00 C ATOM 1796 OG SER A 122 25.030 -2.075 -11.139 1.00 0.00 O ATOM 0 H SER A 122 25.087 -2.974 -13.506 1.00 0.00 H new ATOM 0 HA SER A 122 27.429 -3.086 -11.928 1.00 0.00 H new ATOM 0 HB2 SER A 122 24.624 -4.088 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 122 25.867 -3.658 -10.124 1.00 0.00 H new ATOM 0 HG SER A 122 24.343 -1.941 -10.453 1.00 0.00 H new ATOM 1802 N SER A 123 27.615 -5.581 -11.126 1.00 0.00 N ATOM 1803 CA SER A 123 28.049 -6.969 -11.014 1.00 0.00 C ATOM 1804 C SER A 123 27.243 -7.706 -9.949 1.00 0.00 C ATOM 1805 O SER A 123 26.470 -7.098 -9.209 1.00 0.00 O ATOM 1806 CB SER A 123 29.540 -7.034 -10.677 1.00 0.00 C ATOM 1807 OG SER A 123 30.329 -7.061 -11.854 1.00 0.00 O ATOM 0 H SER A 123 27.881 -4.991 -10.338 1.00 0.00 H new ATOM 0 HA SER A 123 27.879 -7.455 -11.975 1.00 0.00 H new ATOM 0 HB2 SER A 123 29.817 -6.172 -10.070 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.742 -7.923 -10.079 1.00 0.00 H new ATOM 0 HG SER A 123 31.278 -7.101 -11.611 1.00 0.00 H new ATOM 1813 N GLY A 124 27.429 -9.020 -9.878 1.00 0.00 N ATOM 1814 CA GLY A 124 26.713 -9.819 -8.901 1.00 0.00 C ATOM 1815 C GLY A 124 27.236 -11.240 -8.818 1.00 0.00 C ATOM 1816 O GLY A 124 27.654 -11.693 -7.752 1.00 0.00 O ATOM 0 H GLY A 124 28.063 -9.546 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 124 26.794 -9.348 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 124 25.654 -9.839 -9.159 1.00 0.00 H new TER 1820 GLY A 124