USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 910 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 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 5:sc= -3! USER MOD Set 2.1: A 18 GLN : amide:sc= -0.158 K(o=-3.2,f=-7.1!) USER MOD Set 2.2: A 101 ASN : amide:sc= -3.07! C(o=-3.2!,f=-5.2!) USER MOD Single : A 1 SER N :NH3+ -136:sc= -8.75! (180deg=-11.2!) USER MOD Single : A 1 SER OG : rot -32:sc= -8.47! USER MOD Single : A 3 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.7!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 118:sc= 0.00621 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -69:sc= 0.991 USER MOD Single : A 17 THR OG1 : rot 170:sc= 0.387 USER MOD Single : A 27 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 32 SER OG : rot 67:sc= 0.0592 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 41 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.3) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -41:sc= 1.2 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -81:sc= 0.875 USER MOD Single : A 66 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -23:sc= 0.542 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -63:sc= 0.887 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= 0.0145 (180deg=-0.0467) USER MOD Single : A 91 THR OG1 : rot 141:sc= 0.701 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 98:sc= -1.47! USER MOD Single : A 100 TYR OH : rot 165:sc= -0.383 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.458 K(o=-0.46,f=-3.3!) USER MOD Single : A 108 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 111 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.013) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= 0.892 F(o=0.36,f=0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.940 2.466 -6.788 1.00 0.00 N ATOM 2 CA SER A 1 6.462 2.155 -5.422 1.00 0.00 C ATOM 3 C SER A 1 7.133 3.399 -4.811 1.00 0.00 C ATOM 4 O SER A 1 6.630 4.500 -4.922 1.00 0.00 O ATOM 5 CB SER A 1 7.466 1.004 -5.517 1.00 0.00 C ATOM 6 OG SER A 1 7.139 0.195 -6.637 1.00 0.00 O ATOM 0 H1 SER A 1 4.986 2.065 -6.895 1.00 0.00 H new ATOM 0 H2 SER A 1 5.899 3.497 -6.917 1.00 0.00 H new ATOM 0 H3 SER A 1 6.571 2.052 -7.503 1.00 0.00 H new ATOM 0 HA SER A 1 5.634 1.861 -4.777 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.478 1.395 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.444 0.409 -4.604 1.00 0.00 H new ATOM 0 HG SER A 1 6.168 0.201 -6.773 1.00 0.00 H new ATOM 14 N TRP A 2 8.265 3.235 -4.167 1.00 0.00 N ATOM 15 CA TRP A 2 8.956 4.407 -3.547 1.00 0.00 C ATOM 16 C TRP A 2 9.904 5.065 -4.564 1.00 0.00 C ATOM 17 O TRP A 2 9.766 4.897 -5.758 1.00 0.00 O ATOM 18 CB TRP A 2 9.751 3.943 -2.318 1.00 0.00 C ATOM 19 CG TRP A 2 8.998 2.865 -1.593 1.00 0.00 C ATOM 20 CD1 TRP A 2 8.943 1.565 -1.972 1.00 0.00 C ATOM 21 CD2 TRP A 2 8.203 2.964 -0.371 1.00 0.00 C ATOM 22 NE1 TRP A 2 8.158 0.866 -1.074 1.00 0.00 N ATOM 23 CE2 TRP A 2 7.682 1.681 -0.067 1.00 0.00 C ATOM 24 CE3 TRP A 2 7.885 4.028 0.491 1.00 0.00 C ATOM 25 CZ2 TRP A 2 6.874 1.462 1.053 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.074 3.812 1.619 1.00 0.00 C ATOM 27 CH2 TRP A 2 6.571 2.532 1.897 1.00 0.00 C ATOM 0 H TRP A 2 8.739 2.340 -4.045 1.00 0.00 H new ATOM 0 HA TRP A 2 8.209 5.139 -3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 2 10.728 3.570 -2.627 1.00 0.00 H new ATOM 0 HB3 TRP A 2 9.928 4.786 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.434 1.143 -2.837 1.00 0.00 H new ATOM 0 HE1 TRP A 2 7.955 -0.131 -1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.266 5.017 0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 6.488 0.475 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.837 4.636 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 2 5.948 2.374 2.765 1.00 0.00 H new ATOM 38 N GLN A 3 10.857 5.830 -4.100 1.00 0.00 N ATOM 39 CA GLN A 3 11.794 6.514 -5.043 1.00 0.00 C ATOM 40 C GLN A 3 12.774 5.504 -5.657 1.00 0.00 C ATOM 41 O GLN A 3 12.400 4.688 -6.479 1.00 0.00 O ATOM 42 CB GLN A 3 12.566 7.598 -4.287 1.00 0.00 C ATOM 43 CG GLN A 3 11.660 8.808 -4.055 1.00 0.00 C ATOM 44 CD GLN A 3 12.238 10.027 -4.775 1.00 0.00 C ATOM 45 OE1 GLN A 3 13.435 10.131 -4.952 1.00 0.00 O ATOM 46 NE2 GLN A 3 11.433 10.960 -5.202 1.00 0.00 N ATOM 0 H GLN A 3 11.028 6.011 -3.111 1.00 0.00 H new ATOM 0 HA GLN A 3 11.219 6.968 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.920 7.208 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.447 7.895 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.655 8.599 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.573 9.011 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.428 10.873 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.809 11.776 -5.684 1.00 0.00 H new ATOM 55 N THR A 4 14.028 5.552 -5.285 1.00 0.00 N ATOM 56 CA THR A 4 15.004 4.595 -5.870 1.00 0.00 C ATOM 57 C THR A 4 14.427 3.184 -5.789 1.00 0.00 C ATOM 58 O THR A 4 14.469 2.433 -6.740 1.00 0.00 O ATOM 59 CB THR A 4 16.319 4.658 -5.089 1.00 0.00 C ATOM 60 OG1 THR A 4 17.212 3.671 -5.591 1.00 0.00 O ATOM 61 CG2 THR A 4 16.050 4.401 -3.606 1.00 0.00 C ATOM 0 H THR A 4 14.413 6.209 -4.606 1.00 0.00 H new ATOM 0 HA THR A 4 15.195 4.856 -6.911 1.00 0.00 H new ATOM 0 HB THR A 4 16.765 5.646 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 18.056 3.710 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.988 4.447 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.366 5.159 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.604 3.414 -3.483 1.00 0.00 H new ATOM 69 N TYR A 5 13.878 2.828 -4.658 1.00 0.00 N ATOM 70 CA TYR A 5 13.288 1.470 -4.503 1.00 0.00 C ATOM 71 C TYR A 5 12.516 1.105 -5.768 1.00 0.00 C ATOM 72 O TYR A 5 12.632 0.015 -6.291 1.00 0.00 O ATOM 73 CB TYR A 5 12.324 1.474 -3.316 1.00 0.00 C ATOM 74 CG TYR A 5 13.046 1.917 -2.063 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.445 1.852 -1.991 1.00 0.00 C ATOM 76 CD2 TYR A 5 12.313 2.393 -0.970 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.106 2.263 -0.829 1.00 0.00 C ATOM 78 CE2 TYR A 5 12.975 2.804 0.192 1.00 0.00 C ATOM 79 CZ TYR A 5 14.371 2.739 0.264 1.00 0.00 C ATOM 80 OH TYR A 5 15.022 3.145 1.413 1.00 0.00 O ATOM 0 H TYR A 5 13.814 3.423 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 5 14.083 0.744 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.487 2.143 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 5 11.908 0.477 -3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.012 1.484 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.235 2.443 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.183 2.213 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.408 3.172 1.034 1.00 0.00 H new ATOM 0 HH TYR A 5 14.847 4.096 1.569 1.00 0.00 H new ATOM 90 N VAL A 6 11.717 2.010 -6.254 1.00 0.00 N ATOM 91 CA VAL A 6 10.925 1.726 -7.478 1.00 0.00 C ATOM 92 C VAL A 6 11.850 1.237 -8.600 1.00 0.00 C ATOM 93 O VAL A 6 11.616 0.208 -9.202 1.00 0.00 O ATOM 94 CB VAL A 6 10.181 3.012 -7.896 1.00 0.00 C ATOM 95 CG1 VAL A 6 10.104 3.140 -9.423 1.00 0.00 C ATOM 96 CG2 VAL A 6 8.765 2.956 -7.329 1.00 0.00 C ATOM 0 H VAL A 6 11.578 2.938 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 6 10.196 0.940 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 6 10.724 3.874 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.574 4.056 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.112 3.173 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.571 2.282 -9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.223 3.858 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.249 2.082 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.811 2.889 -6.242 1.00 0.00 H new ATOM 106 N ASP A 7 12.876 1.979 -8.910 1.00 0.00 N ATOM 107 CA ASP A 7 13.779 1.558 -10.020 1.00 0.00 C ATOM 108 C ASP A 7 14.955 0.709 -9.520 1.00 0.00 C ATOM 109 O ASP A 7 16.093 0.972 -9.854 1.00 0.00 O ATOM 110 CB ASP A 7 14.325 2.802 -10.717 1.00 0.00 C ATOM 111 CG ASP A 7 13.722 2.906 -12.120 1.00 0.00 C ATOM 112 OD1 ASP A 7 14.191 2.203 -12.999 1.00 0.00 O ATOM 113 OD2 ASP A 7 12.802 3.688 -12.291 1.00 0.00 O ATOM 0 H ASP A 7 13.128 2.852 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 7 13.196 0.947 -10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.082 3.693 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.412 2.749 -10.780 1.00 0.00 H new ATOM 118 N THR A 8 14.712 -0.318 -8.750 1.00 0.00 N ATOM 119 CA THR A 8 15.850 -1.161 -8.291 1.00 0.00 C ATOM 120 C THR A 8 15.347 -2.541 -7.840 1.00 0.00 C ATOM 121 O THR A 8 15.088 -3.408 -8.651 1.00 0.00 O ATOM 122 CB THR A 8 16.607 -0.463 -7.150 1.00 0.00 C ATOM 123 OG1 THR A 8 17.370 -1.424 -6.433 1.00 0.00 O ATOM 124 CG2 THR A 8 15.628 0.226 -6.197 1.00 0.00 C ATOM 0 H THR A 8 13.789 -0.605 -8.424 1.00 0.00 H new ATOM 0 HA THR A 8 16.537 -1.301 -9.125 1.00 0.00 H new ATOM 0 HB THR A 8 17.268 0.291 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.855 -0.980 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.183 0.714 -5.396 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.050 0.971 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.953 -0.516 -5.771 1.00 0.00 H new ATOM 132 N ASN A 9 15.225 -2.761 -6.561 1.00 0.00 N ATOM 133 CA ASN A 9 14.763 -4.093 -6.065 1.00 0.00 C ATOM 134 C ASN A 9 13.294 -4.043 -5.651 1.00 0.00 C ATOM 135 O ASN A 9 12.454 -4.642 -6.278 1.00 0.00 O ATOM 136 CB ASN A 9 15.606 -4.493 -4.853 1.00 0.00 C ATOM 137 CG ASN A 9 16.186 -5.889 -5.081 1.00 0.00 C ATOM 138 OD1 ASN A 9 15.455 -6.845 -5.246 1.00 0.00 O ATOM 139 ND2 ASN A 9 17.482 -6.047 -5.099 1.00 0.00 N ATOM 0 H ASN A 9 15.425 -2.075 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 9 14.875 -4.821 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.410 -3.773 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.994 -4.483 -3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.881 -6.973 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.096 -5.244 -4.960 1.00 0.00 H new ATOM 146 N LEU A 10 13.009 -3.355 -4.574 1.00 0.00 N ATOM 147 CA LEU A 10 11.613 -3.254 -4.034 1.00 0.00 C ATOM 148 C LEU A 10 10.542 -3.520 -5.100 1.00 0.00 C ATOM 149 O LEU A 10 9.547 -4.163 -4.829 1.00 0.00 O ATOM 150 CB LEU A 10 11.405 -1.857 -3.456 1.00 0.00 C ATOM 151 CG LEU A 10 11.282 -1.950 -1.934 1.00 0.00 C ATOM 152 CD1 LEU A 10 12.143 -0.868 -1.282 1.00 0.00 C ATOM 153 CD2 LEU A 10 9.820 -1.748 -1.528 1.00 0.00 C ATOM 0 H LEU A 10 13.704 -2.844 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 10 11.504 -4.020 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.241 -1.212 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.506 -1.407 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 10 11.622 -2.932 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.054 -0.936 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.185 -1.009 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.805 0.114 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.731 -1.814 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.482 -0.766 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.204 -2.519 -1.990 1.00 0.00 H new ATOM 165 N VAL A 11 10.707 -3.028 -6.297 1.00 0.00 N ATOM 166 CA VAL A 11 9.655 -3.267 -7.328 1.00 0.00 C ATOM 167 C VAL A 11 9.819 -4.658 -7.944 1.00 0.00 C ATOM 168 O VAL A 11 9.004 -5.530 -7.717 1.00 0.00 O ATOM 169 CB VAL A 11 9.744 -2.188 -8.422 1.00 0.00 C ATOM 170 CG1 VAL A 11 9.085 -2.684 -9.717 1.00 0.00 C ATOM 171 CG2 VAL A 11 9.020 -0.930 -7.952 1.00 0.00 C ATOM 0 H VAL A 11 11.510 -2.479 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 11 8.676 -3.213 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 11 10.795 -1.970 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.156 -1.910 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.594 -3.583 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.036 -2.911 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.082 -0.164 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.974 -1.164 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.487 -0.561 -7.038 1.00 0.00 H new ATOM 181 N GLY A 12 10.851 -4.872 -8.726 1.00 0.00 N ATOM 182 CA GLY A 12 11.048 -6.216 -9.356 1.00 0.00 C ATOM 183 C GLY A 12 10.648 -7.290 -8.350 1.00 0.00 C ATOM 184 O GLY A 12 10.143 -8.338 -8.701 1.00 0.00 O ATOM 0 H GLY A 12 11.562 -4.177 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.445 -6.302 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.089 -6.345 -9.653 1.00 0.00 H new ATOM 188 N THR A 13 10.854 -7.001 -7.092 1.00 0.00 N ATOM 189 CA THR A 13 10.487 -7.944 -6.004 1.00 0.00 C ATOM 190 C THR A 13 11.406 -7.707 -4.814 1.00 0.00 C ATOM 191 O THR A 13 11.852 -8.632 -4.165 1.00 0.00 O ATOM 192 CB THR A 13 10.656 -9.382 -6.462 1.00 0.00 C ATOM 193 OG1 THR A 13 10.699 -10.243 -5.332 1.00 0.00 O ATOM 194 CG2 THR A 13 11.954 -9.511 -7.265 1.00 0.00 C ATOM 0 H THR A 13 11.272 -6.128 -6.770 1.00 0.00 H new ATOM 0 HA THR A 13 9.445 -7.775 -5.731 1.00 0.00 H new ATOM 0 HB THR A 13 9.813 -9.665 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.533 -10.095 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.077 -10.543 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.911 -8.855 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 13 12.799 -9.227 -6.638 1.00 0.00 H new ATOM 202 N GLY A 14 11.665 -6.477 -4.487 1.00 0.00 N ATOM 203 CA GLY A 14 12.519 -6.199 -3.303 1.00 0.00 C ATOM 204 C GLY A 14 11.612 -6.221 -2.076 1.00 0.00 C ATOM 205 O GLY A 14 11.908 -5.637 -1.051 1.00 0.00 O ATOM 0 H GLY A 14 11.325 -5.654 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.306 -6.947 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.009 -5.231 -3.401 1.00 0.00 H new ATOM 209 N ALA A 15 10.493 -6.889 -2.198 1.00 0.00 N ATOM 210 CA ALA A 15 9.511 -6.972 -1.092 1.00 0.00 C ATOM 211 C ALA A 15 8.163 -7.226 -1.743 1.00 0.00 C ATOM 212 O ALA A 15 7.300 -7.883 -1.195 1.00 0.00 O ATOM 213 CB ALA A 15 9.471 -5.656 -0.312 1.00 0.00 C ATOM 0 H ALA A 15 10.219 -7.391 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 15 9.776 -7.762 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.744 -5.734 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.457 -5.450 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.183 -4.845 -0.981 1.00 0.00 H new ATOM 219 N VAL A 16 7.989 -6.716 -2.935 1.00 0.00 N ATOM 220 CA VAL A 16 6.719 -6.929 -3.657 1.00 0.00 C ATOM 221 C VAL A 16 7.010 -6.863 -5.154 1.00 0.00 C ATOM 222 O VAL A 16 7.869 -6.125 -5.593 1.00 0.00 O ATOM 223 CB VAL A 16 5.729 -5.829 -3.267 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.356 -5.979 -1.791 1.00 0.00 C ATOM 225 CG2 VAL A 16 6.380 -4.463 -3.487 1.00 0.00 C ATOM 0 H VAL A 16 8.682 -6.159 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 16 6.287 -7.897 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 16 4.832 -5.912 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.651 -5.196 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.897 -6.954 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.254 -5.894 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.678 -3.677 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.276 -4.383 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.651 -4.354 -4.537 1.00 0.00 H new ATOM 235 N THR A 17 6.300 -7.612 -5.947 1.00 0.00 N ATOM 236 CA THR A 17 6.544 -7.563 -7.414 1.00 0.00 C ATOM 237 C THR A 17 5.866 -6.312 -7.981 1.00 0.00 C ATOM 238 O THR A 17 5.837 -6.093 -9.174 1.00 0.00 O ATOM 239 CB THR A 17 5.949 -8.812 -8.070 1.00 0.00 C ATOM 240 OG1 THR A 17 4.817 -9.237 -7.325 1.00 0.00 O ATOM 241 CG2 THR A 17 6.992 -9.930 -8.094 1.00 0.00 C ATOM 0 H THR A 17 5.565 -8.253 -5.646 1.00 0.00 H new ATOM 0 HA THR A 17 7.615 -7.529 -7.615 1.00 0.00 H new ATOM 0 HB THR A 17 5.651 -8.578 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.339 -9.932 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.564 -10.817 -8.562 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.862 -9.604 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.294 -10.168 -7.074 1.00 0.00 H new ATOM 249 N GLN A 18 5.328 -5.488 -7.118 1.00 0.00 N ATOM 250 CA GLN A 18 4.648 -4.238 -7.570 1.00 0.00 C ATOM 251 C GLN A 18 4.499 -3.301 -6.370 1.00 0.00 C ATOM 252 O GLN A 18 4.561 -3.723 -5.232 1.00 0.00 O ATOM 253 CB GLN A 18 3.247 -4.552 -8.110 1.00 0.00 C ATOM 254 CG GLN A 18 3.259 -5.841 -8.934 1.00 0.00 C ATOM 255 CD GLN A 18 1.840 -6.140 -9.417 1.00 0.00 C ATOM 256 OE1 GLN A 18 0.981 -6.486 -8.632 1.00 0.00 O ATOM 257 NE2 GLN A 18 1.554 -6.016 -10.685 1.00 0.00 N ATOM 0 H GLN A 18 5.331 -5.631 -6.108 1.00 0.00 H new ATOM 0 HA GLN A 18 5.243 -3.778 -8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.547 -4.652 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.896 -3.724 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.932 -5.737 -9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.633 -6.669 -8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.276 -5.725 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.609 -6.210 -11.016 1.00 0.00 H new ATOM 266 N ALA A 19 4.291 -2.037 -6.608 1.00 0.00 N ATOM 267 CA ALA A 19 4.126 -1.083 -5.474 1.00 0.00 C ATOM 268 C ALA A 19 3.733 0.284 -6.027 1.00 0.00 C ATOM 269 O ALA A 19 3.598 0.457 -7.222 1.00 0.00 O ATOM 270 CB ALA A 19 5.444 -0.968 -4.703 1.00 0.00 C ATOM 0 H ALA A 19 4.228 -1.622 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 19 3.349 -1.443 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.321 -0.270 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.725 -1.947 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.225 -0.605 -5.370 1.00 0.00 H new ATOM 276 N ALA A 20 3.546 1.258 -5.176 1.00 0.00 N ATOM 277 CA ALA A 20 3.158 2.606 -5.677 1.00 0.00 C ATOM 278 C ALA A 20 2.913 3.556 -4.509 1.00 0.00 C ATOM 279 O ALA A 20 1.994 3.384 -3.733 1.00 0.00 O ATOM 280 CB ALA A 20 1.872 2.491 -6.499 1.00 0.00 C ATOM 0 H ALA A 20 3.644 1.179 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 20 3.967 2.996 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.586 3.476 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.039 1.823 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.074 2.092 -5.873 1.00 0.00 H new ATOM 286 N ILE A 21 3.712 4.575 -4.398 1.00 0.00 N ATOM 287 CA ILE A 21 3.507 5.558 -3.307 1.00 0.00 C ATOM 288 C ILE A 21 2.393 6.499 -3.767 1.00 0.00 C ATOM 289 O ILE A 21 2.604 7.389 -4.568 1.00 0.00 O ATOM 290 CB ILE A 21 4.821 6.312 -3.048 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.601 5.594 -1.941 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.539 7.753 -2.608 1.00 0.00 C ATOM 293 CD1 ILE A 21 5.892 4.147 -2.360 1.00 0.00 C ATOM 0 H ILE A 21 4.499 4.769 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 21 3.221 5.080 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 21 5.402 6.333 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.535 6.119 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.027 5.605 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.482 8.270 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.984 8.270 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.950 7.745 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.447 3.643 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.952 3.623 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.484 4.145 -3.275 1.00 0.00 H new ATOM 305 N LEU A 22 1.198 6.278 -3.291 1.00 0.00 N ATOM 306 CA LEU A 22 0.048 7.120 -3.718 1.00 0.00 C ATOM 307 C LEU A 22 -0.044 8.364 -2.830 1.00 0.00 C ATOM 308 O LEU A 22 -0.345 8.283 -1.656 1.00 0.00 O ATOM 309 CB LEU A 22 -1.246 6.300 -3.615 1.00 0.00 C ATOM 310 CG LEU A 22 -0.958 4.822 -3.922 1.00 0.00 C ATOM 311 CD1 LEU A 22 -2.251 4.009 -3.822 1.00 0.00 C ATOM 312 CD2 LEU A 22 -0.389 4.682 -5.338 1.00 0.00 C ATOM 0 H LEU A 22 0.969 5.545 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 22 0.192 7.438 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.669 6.396 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.988 6.687 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.233 4.450 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.040 2.962 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.658 4.095 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.977 4.391 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.188 3.631 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.111 5.064 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.537 5.251 -5.416 1.00 0.00 H new ATOM 324 N GLY A 23 0.220 9.516 -3.387 1.00 0.00 N ATOM 325 CA GLY A 23 0.156 10.771 -2.584 1.00 0.00 C ATOM 326 C GLY A 23 -1.262 10.969 -2.048 1.00 0.00 C ATOM 327 O GLY A 23 -2.078 10.069 -2.075 1.00 0.00 O ATOM 0 H GLY A 23 0.478 9.642 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.864 10.721 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.445 11.623 -3.200 1.00 0.00 H new ATOM 331 N LEU A 24 -1.560 12.142 -1.560 1.00 0.00 N ATOM 332 CA LEU A 24 -2.924 12.401 -1.019 1.00 0.00 C ATOM 333 C LEU A 24 -3.612 13.475 -1.863 1.00 0.00 C ATOM 334 O LEU A 24 -4.599 14.058 -1.458 1.00 0.00 O ATOM 335 CB LEU A 24 -2.816 12.883 0.432 1.00 0.00 C ATOM 336 CG LEU A 24 -1.592 12.246 1.094 1.00 0.00 C ATOM 337 CD1 LEU A 24 -0.404 13.207 1.008 1.00 0.00 C ATOM 338 CD2 LEU A 24 -1.902 11.951 2.564 1.00 0.00 C ATOM 0 H LEU A 24 -0.917 12.933 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.509 11.482 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.733 13.969 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.719 12.618 0.982 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.345 11.317 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.467 12.752 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.181 13.418 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.650 14.137 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.030 11.497 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.150 12.880 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.747 11.265 2.627 1.00 0.00 H new ATOM 350 N ASP A 25 -3.102 13.741 -3.033 1.00 0.00 N ATOM 351 CA ASP A 25 -3.729 14.777 -3.901 1.00 0.00 C ATOM 352 C ASP A 25 -4.669 14.102 -4.902 1.00 0.00 C ATOM 353 O ASP A 25 -5.646 14.676 -5.337 1.00 0.00 O ATOM 354 CB ASP A 25 -2.637 15.537 -4.657 1.00 0.00 C ATOM 355 CG ASP A 25 -1.712 16.231 -3.655 1.00 0.00 C ATOM 356 OD1 ASP A 25 -1.779 15.894 -2.484 1.00 0.00 O ATOM 357 OD2 ASP A 25 -0.954 17.090 -4.075 1.00 0.00 O ATOM 0 H ASP A 25 -2.278 13.286 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.296 15.474 -3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.065 14.849 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.086 16.273 -5.324 1.00 0.00 H new ATOM 362 N GLY A 26 -4.379 12.884 -5.271 1.00 0.00 N ATOM 363 CA GLY A 26 -5.254 12.168 -6.243 1.00 0.00 C ATOM 364 C GLY A 26 -4.386 11.437 -7.268 1.00 0.00 C ATOM 365 O GLY A 26 -4.791 10.451 -7.850 1.00 0.00 O ATOM 0 H GLY A 26 -3.573 12.353 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.893 11.457 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.912 12.876 -6.747 1.00 0.00 H new ATOM 369 N ASN A 27 -3.191 11.912 -7.489 1.00 0.00 N ATOM 370 CA ASN A 27 -2.291 11.249 -8.473 1.00 0.00 C ATOM 371 C ASN A 27 -1.284 10.369 -7.730 1.00 0.00 C ATOM 372 O ASN A 27 -1.469 10.040 -6.575 1.00 0.00 O ATOM 373 CB ASN A 27 -1.544 12.319 -9.274 1.00 0.00 C ATOM 374 CG ASN A 27 -0.816 13.258 -8.310 1.00 0.00 C ATOM 375 OD1 ASN A 27 -0.581 12.912 -7.169 1.00 0.00 O ATOM 376 ND2 ASN A 27 -0.447 14.439 -8.723 1.00 0.00 N ATOM 0 H ASN A 27 -2.799 12.733 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.880 10.631 -9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.830 11.850 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.244 12.883 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.039 15.072 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.644 14.729 -9.681 1.00 0.00 H new ATOM 383 N THR A 28 -0.219 9.983 -8.379 1.00 0.00 N ATOM 384 CA THR A 28 0.793 9.122 -7.704 1.00 0.00 C ATOM 385 C THR A 28 2.186 9.730 -7.883 1.00 0.00 C ATOM 386 O THR A 28 2.548 10.170 -8.956 1.00 0.00 O ATOM 387 CB THR A 28 0.767 7.724 -8.324 1.00 0.00 C ATOM 388 OG1 THR A 28 -0.573 7.252 -8.374 1.00 0.00 O ATOM 389 CG2 THR A 28 1.617 6.773 -7.480 1.00 0.00 C ATOM 0 H THR A 28 -0.006 10.227 -9.346 1.00 0.00 H new ATOM 0 HA THR A 28 0.560 9.056 -6.641 1.00 0.00 H new ATOM 0 HB THR A 28 1.172 7.768 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.590 6.357 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.597 5.777 -7.923 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.644 7.135 -7.447 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.216 6.728 -6.468 1.00 0.00 H new ATOM 397 N TRP A 29 2.975 9.751 -6.842 1.00 0.00 N ATOM 398 CA TRP A 29 4.346 10.321 -6.961 1.00 0.00 C ATOM 399 C TRP A 29 5.263 9.278 -7.600 1.00 0.00 C ATOM 400 O TRP A 29 6.022 9.570 -8.502 1.00 0.00 O ATOM 401 CB TRP A 29 4.877 10.679 -5.571 1.00 0.00 C ATOM 402 CG TRP A 29 4.143 11.870 -5.047 1.00 0.00 C ATOM 403 CD1 TRP A 29 3.344 12.678 -5.782 1.00 0.00 C ATOM 404 CD2 TRP A 29 4.129 12.401 -3.691 1.00 0.00 C ATOM 405 NE1 TRP A 29 2.838 13.671 -4.962 1.00 0.00 N ATOM 406 CE2 TRP A 29 3.293 13.543 -3.665 1.00 0.00 C ATOM 407 CE3 TRP A 29 4.751 12.007 -2.493 1.00 0.00 C ATOM 408 CZ2 TRP A 29 3.083 14.269 -2.492 1.00 0.00 C ATOM 409 CZ3 TRP A 29 4.542 12.736 -1.310 1.00 0.00 C ATOM 410 CH2 TRP A 29 3.710 13.864 -1.310 1.00 0.00 C ATOM 0 H TRP A 29 2.729 9.399 -5.917 1.00 0.00 H new ATOM 0 HA TRP A 29 4.317 11.219 -7.577 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.751 9.834 -4.894 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.945 10.890 -5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.136 12.566 -6.836 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.206 14.407 -5.277 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.393 11.139 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.441 15.137 -2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.025 12.425 -0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.553 14.420 -0.397 1.00 0.00 H new ATOM 421 N ALA A 30 5.190 8.060 -7.140 1.00 0.00 N ATOM 422 CA ALA A 30 6.047 6.990 -7.722 1.00 0.00 C ATOM 423 C ALA A 30 5.207 5.725 -7.896 1.00 0.00 C ATOM 424 O ALA A 30 4.434 5.361 -7.032 1.00 0.00 O ATOM 425 CB ALA A 30 7.220 6.702 -6.782 1.00 0.00 C ATOM 0 H ALA A 30 4.573 7.759 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 30 6.436 7.312 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.846 5.919 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.812 7.608 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.839 6.374 -5.815 1.00 0.00 H new ATOM 431 N THR A 31 5.338 5.053 -9.006 1.00 0.00 N ATOM 432 CA THR A 31 4.528 3.818 -9.216 1.00 0.00 C ATOM 433 C THR A 31 5.358 2.772 -9.961 1.00 0.00 C ATOM 434 O THR A 31 6.415 3.057 -10.487 1.00 0.00 O ATOM 435 CB THR A 31 3.253 4.144 -10.020 1.00 0.00 C ATOM 436 OG1 THR A 31 3.170 3.285 -11.150 1.00 0.00 O ATOM 437 CG2 THR A 31 3.274 5.601 -10.493 1.00 0.00 C ATOM 0 H THR A 31 5.965 5.302 -9.771 1.00 0.00 H new ATOM 0 HA THR A 31 4.238 3.420 -8.244 1.00 0.00 H new ATOM 0 HB THR A 31 2.387 3.994 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.359 3.492 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.367 5.813 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.326 6.263 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.144 5.765 -11.129 1.00 0.00 H new ATOM 445 N SER A 32 4.879 1.560 -10.002 1.00 0.00 N ATOM 446 CA SER A 32 5.620 0.475 -10.703 1.00 0.00 C ATOM 447 C SER A 32 4.868 -0.840 -10.503 1.00 0.00 C ATOM 448 O SER A 32 5.401 -1.805 -9.992 1.00 0.00 O ATOM 449 CB SER A 32 7.027 0.355 -10.116 1.00 0.00 C ATOM 450 OG SER A 32 7.986 0.656 -11.121 1.00 0.00 O ATOM 0 H SER A 32 3.998 1.273 -9.576 1.00 0.00 H new ATOM 0 HA SER A 32 5.695 0.702 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.141 1.037 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.189 -0.653 -9.734 1.00 0.00 H new ATOM 0 HG SER A 32 7.917 1.602 -11.367 1.00 0.00 H new ATOM 456 N ALA A 33 3.624 -0.881 -10.895 1.00 0.00 N ATOM 457 CA ALA A 33 2.828 -2.127 -10.722 1.00 0.00 C ATOM 458 C ALA A 33 2.336 -2.615 -12.085 1.00 0.00 C ATOM 459 O ALA A 33 3.014 -2.477 -13.083 1.00 0.00 O ATOM 460 CB ALA A 33 1.631 -1.841 -9.813 1.00 0.00 C ATOM 0 H ALA A 33 3.125 -0.104 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 33 3.451 -2.898 -10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.046 -2.752 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.986 -1.497 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.007 -1.070 -10.265 1.00 0.00 H new ATOM 466 N GLY A 34 1.164 -3.190 -12.137 1.00 0.00 N ATOM 467 CA GLY A 34 0.641 -3.690 -13.440 1.00 0.00 C ATOM 468 C GLY A 34 -0.793 -3.196 -13.649 1.00 0.00 C ATOM 469 O GLY A 34 -1.468 -3.600 -14.574 1.00 0.00 O ATOM 0 H GLY A 34 0.549 -3.334 -11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.277 -3.343 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.666 -4.780 -13.458 1.00 0.00 H new ATOM 473 N PHE A 35 -1.264 -2.325 -12.797 1.00 0.00 N ATOM 474 CA PHE A 35 -2.653 -1.807 -12.952 1.00 0.00 C ATOM 475 C PHE A 35 -2.653 -0.285 -12.778 1.00 0.00 C ATOM 476 O PHE A 35 -1.634 0.318 -12.506 1.00 0.00 O ATOM 477 CB PHE A 35 -3.563 -2.440 -11.895 1.00 0.00 C ATOM 478 CG PHE A 35 -2.905 -2.357 -10.537 1.00 0.00 C ATOM 479 CD1 PHE A 35 -3.000 -1.178 -9.786 1.00 0.00 C ATOM 480 CD2 PHE A 35 -2.208 -3.458 -10.026 1.00 0.00 C ATOM 481 CE1 PHE A 35 -2.395 -1.102 -8.525 1.00 0.00 C ATOM 482 CE2 PHE A 35 -1.602 -3.380 -8.766 1.00 0.00 C ATOM 483 CZ PHE A 35 -1.696 -2.203 -8.015 1.00 0.00 C ATOM 0 H PHE A 35 -0.747 -1.951 -12.001 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.023 -2.062 -13.945 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.524 -1.927 -11.875 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.762 -3.481 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.539 -0.329 -10.179 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.138 -4.368 -10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.468 -0.194 -7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.062 -4.229 -8.374 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.230 -2.144 -7.043 1.00 0.00 H new ATOM 493 N ALA A 36 -3.788 0.339 -12.936 1.00 0.00 N ATOM 494 CA ALA A 36 -3.854 1.820 -12.783 1.00 0.00 C ATOM 495 C ALA A 36 -4.911 2.177 -11.734 1.00 0.00 C ATOM 496 O ALA A 36 -6.070 1.843 -11.871 1.00 0.00 O ATOM 497 CB ALA A 36 -4.229 2.454 -14.124 1.00 0.00 C ATOM 0 H ALA A 36 -4.673 -0.113 -13.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.883 2.197 -12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.278 3.537 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.477 2.199 -14.870 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.200 2.078 -14.445 1.00 0.00 H new ATOM 503 N VAL A 37 -4.519 2.851 -10.686 1.00 0.00 N ATOM 504 CA VAL A 37 -5.503 3.223 -9.629 1.00 0.00 C ATOM 505 C VAL A 37 -6.159 4.559 -9.988 1.00 0.00 C ATOM 506 O VAL A 37 -5.576 5.386 -10.660 1.00 0.00 O ATOM 507 CB VAL A 37 -4.783 3.348 -8.285 1.00 0.00 C ATOM 508 CG1 VAL A 37 -5.807 3.287 -7.152 1.00 0.00 C ATOM 509 CG2 VAL A 37 -3.786 2.195 -8.130 1.00 0.00 C ATOM 0 H VAL A 37 -3.562 3.159 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.271 2.452 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.250 4.298 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.295 3.376 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.519 4.105 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.338 2.336 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.273 2.284 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.319 1.245 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.056 2.235 -8.938 1.00 0.00 H new ATOM 519 N THR A 38 -7.370 4.774 -9.547 1.00 0.00 N ATOM 520 CA THR A 38 -8.061 6.055 -9.868 1.00 0.00 C ATOM 521 C THR A 38 -8.080 6.955 -8.629 1.00 0.00 C ATOM 522 O THR A 38 -7.949 6.481 -7.519 1.00 0.00 O ATOM 523 CB THR A 38 -9.499 5.767 -10.306 1.00 0.00 C ATOM 524 OG1 THR A 38 -10.012 4.676 -9.554 1.00 0.00 O ATOM 525 CG2 THR A 38 -9.524 5.421 -11.795 1.00 0.00 C ATOM 0 H THR A 38 -7.909 4.119 -8.980 1.00 0.00 H new ATOM 0 HA THR A 38 -7.527 6.558 -10.675 1.00 0.00 H new ATOM 0 HB THR A 38 -10.115 6.650 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.933 4.491 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.549 5.216 -12.104 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.132 6.260 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.908 4.539 -11.974 1.00 0.00 H new ATOM 533 N PRO A 39 -8.245 8.233 -8.861 1.00 0.00 N ATOM 534 CA PRO A 39 -8.287 9.229 -7.774 1.00 0.00 C ATOM 535 C PRO A 39 -9.487 8.969 -6.857 1.00 0.00 C ATOM 536 O PRO A 39 -9.450 9.249 -5.675 1.00 0.00 O ATOM 537 CB PRO A 39 -8.439 10.580 -8.489 1.00 0.00 C ATOM 538 CG PRO A 39 -8.513 10.304 -10.012 1.00 0.00 C ATOM 539 CD PRO A 39 -8.399 8.786 -10.218 1.00 0.00 C ATOM 0 HA PRO A 39 -7.398 9.193 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.339 11.093 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.595 11.231 -8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.451 10.676 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.709 10.822 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.285 8.386 -10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.545 8.535 -10.847 1.00 0.00 H new ATOM 547 N ALA A 40 -10.555 8.443 -7.394 1.00 0.00 N ATOM 548 CA ALA A 40 -11.758 8.171 -6.554 1.00 0.00 C ATOM 549 C ALA A 40 -11.403 7.194 -5.425 1.00 0.00 C ATOM 550 O ALA A 40 -11.902 7.301 -4.323 1.00 0.00 O ATOM 551 CB ALA A 40 -12.857 7.561 -7.425 1.00 0.00 C ATOM 0 H ALA A 40 -10.647 8.190 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.108 9.107 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.737 7.361 -6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.119 8.258 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.500 6.629 -7.862 1.00 0.00 H new ATOM 557 N GLN A 41 -10.557 6.235 -5.694 1.00 0.00 N ATOM 558 CA GLN A 41 -10.186 5.249 -4.639 1.00 0.00 C ATOM 559 C GLN A 41 -9.113 5.843 -3.721 1.00 0.00 C ATOM 560 O GLN A 41 -8.786 5.285 -2.692 1.00 0.00 O ATOM 561 CB GLN A 41 -9.643 3.983 -5.305 1.00 0.00 C ATOM 562 CG GLN A 41 -10.720 3.384 -6.209 1.00 0.00 C ATOM 563 CD GLN A 41 -11.975 3.098 -5.383 1.00 0.00 C ATOM 564 OE1 GLN A 41 -11.889 2.578 -4.288 1.00 0.00 O ATOM 565 NE2 GLN A 41 -13.145 3.417 -5.863 1.00 0.00 N ATOM 0 H GLN A 41 -10.107 6.092 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.067 5.007 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.753 4.219 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.345 3.259 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.954 4.073 -7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.356 2.465 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.217 3.853 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.988 3.230 -5.319 1.00 0.00 H new ATOM 574 N GLY A 42 -8.558 6.965 -4.085 1.00 0.00 N ATOM 575 CA GLY A 42 -7.503 7.585 -3.232 1.00 0.00 C ATOM 576 C GLY A 42 -8.145 8.233 -2.003 1.00 0.00 C ATOM 577 O GLY A 42 -7.577 8.243 -0.929 1.00 0.00 O ATOM 0 H GLY A 42 -8.788 7.480 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.783 6.828 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.953 8.333 -3.803 1.00 0.00 H new ATOM 581 N GLN A 43 -9.320 8.780 -2.150 1.00 0.00 N ATOM 582 CA GLN A 43 -9.987 9.428 -0.987 1.00 0.00 C ATOM 583 C GLN A 43 -10.627 8.359 -0.098 1.00 0.00 C ATOM 584 O GLN A 43 -10.557 8.423 1.113 1.00 0.00 O ATOM 585 CB GLN A 43 -11.067 10.390 -1.488 1.00 0.00 C ATOM 586 CG GLN A 43 -10.989 11.698 -0.695 1.00 0.00 C ATOM 587 CD GLN A 43 -11.927 12.732 -1.319 1.00 0.00 C ATOM 588 OE1 GLN A 43 -13.121 12.520 -1.391 1.00 0.00 O ATOM 589 NE2 GLN A 43 -11.433 13.850 -1.774 1.00 0.00 N ATOM 0 H GLN A 43 -9.846 8.806 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.247 9.981 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.929 10.587 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.053 9.940 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.265 11.522 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.966 12.074 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.430 14.027 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.049 14.548 -2.191 1.00 0.00 H new ATOM 598 N THR A 44 -11.248 7.376 -0.690 1.00 0.00 N ATOM 599 CA THR A 44 -11.890 6.306 0.124 1.00 0.00 C ATOM 600 C THR A 44 -10.860 5.715 1.090 1.00 0.00 C ATOM 601 O THR A 44 -11.147 5.468 2.244 1.00 0.00 O ATOM 602 CB THR A 44 -12.409 5.205 -0.804 1.00 0.00 C ATOM 603 OG1 THR A 44 -13.254 5.780 -1.792 1.00 0.00 O ATOM 604 CG2 THR A 44 -13.199 4.178 0.010 1.00 0.00 C ATOM 0 H THR A 44 -11.338 7.268 -1.700 1.00 0.00 H new ATOM 0 HA THR A 44 -12.721 6.727 0.691 1.00 0.00 H new ATOM 0 HB THR A 44 -11.567 4.711 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.586 5.077 -2.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.568 3.395 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.551 3.737 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.042 4.669 0.496 1.00 0.00 H new ATOM 612 N LEU A 45 -9.663 5.487 0.625 1.00 0.00 N ATOM 613 CA LEU A 45 -8.615 4.912 1.514 1.00 0.00 C ATOM 614 C LEU A 45 -8.322 5.887 2.654 1.00 0.00 C ATOM 615 O LEU A 45 -8.139 5.494 3.789 1.00 0.00 O ATOM 616 CB LEU A 45 -7.338 4.679 0.705 1.00 0.00 C ATOM 617 CG LEU A 45 -6.780 3.294 1.024 1.00 0.00 C ATOM 618 CD1 LEU A 45 -6.744 2.455 -0.254 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.362 3.434 1.583 1.00 0.00 C ATOM 0 H LEU A 45 -9.365 5.674 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.966 3.966 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.550 4.761 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.599 5.444 0.943 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.415 2.805 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.346 1.466 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.753 2.358 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.107 2.943 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.962 2.446 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.726 3.921 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.387 4.034 2.492 1.00 0.00 H new ATOM 631 N ALA A 46 -8.274 7.158 2.363 1.00 0.00 N ATOM 632 CA ALA A 46 -7.992 8.156 3.430 1.00 0.00 C ATOM 633 C ALA A 46 -9.069 8.060 4.509 1.00 0.00 C ATOM 634 O ALA A 46 -8.787 8.116 5.689 1.00 0.00 O ATOM 635 CB ALA A 46 -7.996 9.564 2.830 1.00 0.00 C ATOM 0 H ALA A 46 -8.418 7.548 1.431 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.015 7.953 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.789 10.294 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.229 9.633 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.972 9.770 2.391 1.00 0.00 H new ATOM 641 N SER A 47 -10.302 7.912 4.113 1.00 0.00 N ATOM 642 CA SER A 47 -11.399 7.808 5.115 1.00 0.00 C ATOM 643 C SER A 47 -11.344 6.430 5.777 1.00 0.00 C ATOM 644 O SER A 47 -11.867 6.226 6.854 1.00 0.00 O ATOM 645 CB SER A 47 -12.748 7.986 4.421 1.00 0.00 C ATOM 646 OG SER A 47 -13.049 6.817 3.670 1.00 0.00 O ATOM 0 H SER A 47 -10.598 7.859 3.138 1.00 0.00 H new ATOM 0 HA SER A 47 -11.279 8.585 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.528 8.168 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.720 8.856 3.765 1.00 0.00 H new ATOM 0 HG SER A 47 -12.238 6.499 3.221 1.00 0.00 H new ATOM 652 N ALA A 48 -10.712 5.483 5.137 1.00 0.00 N ATOM 653 CA ALA A 48 -10.621 4.117 5.726 1.00 0.00 C ATOM 654 C ALA A 48 -9.739 4.158 6.976 1.00 0.00 C ATOM 655 O ALA A 48 -9.831 3.310 7.841 1.00 0.00 O ATOM 656 CB ALA A 48 -10.008 3.163 4.700 1.00 0.00 C ATOM 0 H ALA A 48 -10.255 5.597 4.232 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.618 3.769 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.940 2.163 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.636 3.135 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.011 3.511 4.430 1.00 0.00 H new ATOM 662 N PHE A 49 -8.886 5.141 7.078 1.00 0.00 N ATOM 663 CA PHE A 49 -8.000 5.240 8.271 1.00 0.00 C ATOM 664 C PHE A 49 -8.833 5.630 9.494 1.00 0.00 C ATOM 665 O PHE A 49 -8.452 5.382 10.621 1.00 0.00 O ATOM 666 CB PHE A 49 -6.933 6.308 8.026 1.00 0.00 C ATOM 667 CG PHE A 49 -6.128 5.946 6.801 1.00 0.00 C ATOM 668 CD1 PHE A 49 -5.394 4.754 6.771 1.00 0.00 C ATOM 669 CD2 PHE A 49 -6.115 6.803 5.694 1.00 0.00 C ATOM 670 CE1 PHE A 49 -4.648 4.420 5.635 1.00 0.00 C ATOM 671 CE2 PHE A 49 -5.368 6.468 4.558 1.00 0.00 C ATOM 672 CZ PHE A 49 -4.635 5.277 4.529 1.00 0.00 C ATOM 0 H PHE A 49 -8.765 5.880 6.386 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.520 4.277 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.403 7.282 7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.278 6.388 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.404 4.092 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.681 7.722 5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.082 3.500 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.358 7.129 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.059 5.019 3.653 1.00 0.00 H new ATOM 682 N ASN A 50 -9.965 6.244 9.280 1.00 0.00 N ATOM 683 CA ASN A 50 -10.821 6.655 10.428 1.00 0.00 C ATOM 684 C ASN A 50 -11.823 5.541 10.741 1.00 0.00 C ATOM 685 O ASN A 50 -12.199 5.332 11.877 1.00 0.00 O ATOM 686 CB ASN A 50 -11.577 7.933 10.064 1.00 0.00 C ATOM 687 CG ASN A 50 -12.166 8.560 11.329 1.00 0.00 C ATOM 688 OD1 ASN A 50 -11.459 9.177 12.101 1.00 0.00 O ATOM 689 ND2 ASN A 50 -13.440 8.428 11.576 1.00 0.00 N ATOM 0 H ASN A 50 -10.334 6.479 8.358 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.196 6.837 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.905 8.638 9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.372 7.707 9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.842 8.843 12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.034 7.910 10.928 1.00 0.00 H new ATOM 696 N ASN A 51 -12.261 4.824 9.741 1.00 0.00 N ATOM 697 CA ASN A 51 -13.238 3.727 9.984 1.00 0.00 C ATOM 698 C ASN A 51 -12.643 2.397 9.521 1.00 0.00 C ATOM 699 O ASN A 51 -11.874 2.343 8.581 1.00 0.00 O ATOM 700 CB ASN A 51 -14.527 4.010 9.208 1.00 0.00 C ATOM 701 CG ASN A 51 -15.627 4.433 10.182 1.00 0.00 C ATOM 702 OD1 ASN A 51 -15.486 5.412 10.889 1.00 0.00 O ATOM 703 ND2 ASN A 51 -16.725 3.731 10.251 1.00 0.00 N ATOM 0 H ASN A 51 -11.984 4.951 8.768 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.461 3.670 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.356 4.796 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.836 3.121 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.465 4.004 10.898 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.843 2.910 9.658 1.00 0.00 H new ATOM 710 N ALA A 52 -12.989 1.322 10.175 1.00 0.00 N ATOM 711 CA ALA A 52 -12.443 -0.007 9.777 1.00 0.00 C ATOM 712 C ALA A 52 -13.594 -0.934 9.380 1.00 0.00 C ATOM 713 O ALA A 52 -13.408 -2.117 9.175 1.00 0.00 O ATOM 714 CB ALA A 52 -11.688 -0.618 10.959 1.00 0.00 C ATOM 0 H ALA A 52 -13.628 1.307 10.970 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.766 0.116 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.287 -1.590 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.869 0.041 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.369 -0.741 11.801 1.00 0.00 H new ATOM 720 N ASP A 53 -14.781 -0.407 9.272 1.00 0.00 N ATOM 721 CA ASP A 53 -15.942 -1.256 8.892 1.00 0.00 C ATOM 722 C ASP A 53 -15.939 -1.518 7.379 1.00 0.00 C ATOM 723 O ASP A 53 -16.081 -2.648 6.954 1.00 0.00 O ATOM 724 CB ASP A 53 -17.242 -0.550 9.285 1.00 0.00 C ATOM 725 CG ASP A 53 -18.231 -1.577 9.839 1.00 0.00 C ATOM 726 OD1 ASP A 53 -18.847 -2.265 9.042 1.00 0.00 O ATOM 727 OD2 ASP A 53 -18.355 -1.658 11.050 1.00 0.00 O ATOM 0 H ASP A 53 -14.997 0.577 9.431 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.868 -2.209 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.040 0.217 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.671 -0.046 8.419 1.00 0.00 H new ATOM 732 N PRO A 54 -15.796 -0.466 6.607 1.00 0.00 N ATOM 733 CA PRO A 54 -15.794 -0.572 5.134 1.00 0.00 C ATOM 734 C PRO A 54 -14.571 -1.353 4.638 1.00 0.00 C ATOM 735 O PRO A 54 -14.478 -1.697 3.477 1.00 0.00 O ATOM 736 CB PRO A 54 -15.737 0.880 4.638 1.00 0.00 C ATOM 737 CG PRO A 54 -15.645 1.799 5.881 1.00 0.00 C ATOM 738 CD PRO A 54 -15.630 0.903 7.128 1.00 0.00 C ATOM 0 HA PRO A 54 -16.670 -1.106 4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.875 1.028 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.624 1.119 4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.743 2.410 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.492 2.484 5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.695 1.006 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.435 1.166 7.814 1.00 0.00 H new ATOM 746 N ILE A 55 -13.629 -1.632 5.499 1.00 0.00 N ATOM 747 CA ILE A 55 -12.416 -2.385 5.054 1.00 0.00 C ATOM 748 C ILE A 55 -12.441 -3.801 5.633 1.00 0.00 C ATOM 749 O ILE A 55 -11.692 -4.663 5.220 1.00 0.00 O ATOM 750 CB ILE A 55 -11.144 -1.667 5.528 1.00 0.00 C ATOM 751 CG1 ILE A 55 -11.472 -0.732 6.698 1.00 0.00 C ATOM 752 CG2 ILE A 55 -10.562 -0.849 4.375 1.00 0.00 C ATOM 753 CD1 ILE A 55 -10.196 -0.031 7.166 1.00 0.00 C ATOM 0 H ILE A 55 -13.644 -1.374 6.486 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.417 -2.435 3.965 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.418 -2.410 5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.213 0.006 6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.909 -1.300 7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.659 -0.339 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.317 -1.512 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.294 -0.112 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.430 0.633 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.469 -0.776 7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.778 0.550 6.344 1.00 0.00 H new ATOM 765 N ARG A 56 -13.295 -4.050 6.586 1.00 0.00 N ATOM 766 CA ARG A 56 -13.363 -5.412 7.190 1.00 0.00 C ATOM 767 C ARG A 56 -14.507 -6.199 6.546 1.00 0.00 C ATOM 768 O ARG A 56 -14.611 -7.400 6.703 1.00 0.00 O ATOM 769 CB ARG A 56 -13.616 -5.287 8.693 1.00 0.00 C ATOM 770 CG ARG A 56 -14.985 -4.642 8.922 1.00 0.00 C ATOM 771 CD ARG A 56 -15.377 -4.778 10.394 1.00 0.00 C ATOM 772 NE ARG A 56 -15.695 -6.203 10.692 1.00 0.00 N ATOM 773 CZ ARG A 56 -15.769 -6.613 11.931 1.00 0.00 C ATOM 774 NH1 ARG A 56 -15.581 -5.774 12.913 1.00 0.00 N ATOM 775 NH2 ARG A 56 -16.034 -7.864 12.187 1.00 0.00 N ATOM 0 H ARG A 56 -13.949 -3.370 6.974 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.421 -5.934 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.581 -6.270 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.835 -4.684 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.954 -3.590 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.734 -5.120 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.563 -4.435 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.240 -4.148 10.612 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.855 -6.860 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.376 -4.795 12.715 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.640 -6.098 13.879 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.183 -8.521 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.092 -8.186 13.153 1.00 0.00 H new ATOM 789 N ALA A 57 -15.369 -5.532 5.828 1.00 0.00 N ATOM 790 CA ALA A 57 -16.509 -6.242 5.181 1.00 0.00 C ATOM 791 C ALA A 57 -16.507 -5.954 3.678 1.00 0.00 C ATOM 792 O ALA A 57 -16.648 -4.824 3.252 1.00 0.00 O ATOM 793 CB ALA A 57 -17.825 -5.752 5.790 1.00 0.00 C ATOM 0 H ALA A 57 -15.333 -4.526 5.661 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.407 -7.315 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.660 -6.270 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.829 -5.957 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.925 -4.679 5.626 1.00 0.00 H new ATOM 799 N SER A 58 -16.351 -6.968 2.871 1.00 0.00 N ATOM 800 CA SER A 58 -16.342 -6.753 1.395 1.00 0.00 C ATOM 801 C SER A 58 -15.073 -5.997 0.999 1.00 0.00 C ATOM 802 O SER A 58 -14.929 -5.550 -0.122 1.00 0.00 O ATOM 803 CB SER A 58 -17.571 -5.938 0.988 1.00 0.00 C ATOM 804 OG SER A 58 -17.228 -4.559 0.949 1.00 0.00 O ATOM 0 H SER A 58 -16.229 -7.936 3.169 1.00 0.00 H new ATOM 0 HA SER A 58 -16.364 -7.717 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.930 -6.263 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.382 -6.103 1.697 1.00 0.00 H new ATOM 0 HG SER A 58 -17.249 -4.191 1.857 1.00 0.00 H new ATOM 810 N GLY A 59 -14.148 -5.854 1.908 1.00 0.00 N ATOM 811 CA GLY A 59 -12.888 -5.130 1.581 1.00 0.00 C ATOM 812 C GLY A 59 -13.215 -3.857 0.798 1.00 0.00 C ATOM 813 O GLY A 59 -13.964 -3.015 1.251 1.00 0.00 O ATOM 0 H GLY A 59 -14.211 -6.207 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.353 -4.878 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.230 -5.771 0.994 1.00 0.00 H new ATOM 817 N PHE A 60 -12.660 -3.711 -0.374 1.00 0.00 N ATOM 818 CA PHE A 60 -12.942 -2.491 -1.181 1.00 0.00 C ATOM 819 C PHE A 60 -12.662 -2.778 -2.657 1.00 0.00 C ATOM 820 O PHE A 60 -12.363 -3.892 -3.037 1.00 0.00 O ATOM 821 CB PHE A 60 -12.047 -1.344 -0.707 1.00 0.00 C ATOM 822 CG PHE A 60 -10.711 -1.892 -0.262 1.00 0.00 C ATOM 823 CD1 PHE A 60 -9.924 -2.633 -1.154 1.00 0.00 C ATOM 824 CD2 PHE A 60 -10.258 -1.658 1.042 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.685 -3.139 -0.742 1.00 0.00 C ATOM 826 CE2 PHE A 60 -9.020 -2.164 1.454 1.00 0.00 C ATOM 827 CZ PHE A 60 -8.233 -2.904 0.563 1.00 0.00 C ATOM 0 H PHE A 60 -12.025 -4.382 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.988 -2.210 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.905 -0.623 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.525 -0.813 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.273 -2.814 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.864 -1.087 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.079 -3.710 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.671 -1.984 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.278 -3.294 0.882 1.00 0.00 H new ATOM 837 N ASP A 61 -12.758 -1.779 -3.491 1.00 0.00 N ATOM 838 CA ASP A 61 -12.495 -1.986 -4.943 1.00 0.00 C ATOM 839 C ASP A 61 -11.319 -1.106 -5.371 1.00 0.00 C ATOM 840 O ASP A 61 -11.323 0.091 -5.165 1.00 0.00 O ATOM 841 CB ASP A 61 -13.741 -1.601 -5.743 1.00 0.00 C ATOM 842 CG ASP A 61 -14.102 -0.142 -5.453 1.00 0.00 C ATOM 843 OD1 ASP A 61 -14.632 0.116 -4.385 1.00 0.00 O ATOM 844 OD2 ASP A 61 -13.841 0.693 -6.304 1.00 0.00 O ATOM 0 H ASP A 61 -13.008 -0.826 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.254 -3.033 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.558 -1.737 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.573 -2.253 -5.477 1.00 0.00 H new ATOM 849 N LEU A 62 -10.310 -1.687 -5.958 1.00 0.00 N ATOM 850 CA LEU A 62 -9.138 -0.873 -6.387 1.00 0.00 C ATOM 851 C LEU A 62 -8.937 -1.006 -7.897 1.00 0.00 C ATOM 852 O LEU A 62 -8.447 -2.007 -8.383 1.00 0.00 O ATOM 853 CB LEU A 62 -7.883 -1.362 -5.660 1.00 0.00 C ATOM 854 CG LEU A 62 -7.379 -0.268 -4.719 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.691 -0.653 -3.271 1.00 0.00 C ATOM 856 CD2 LEU A 62 -5.867 -0.106 -4.888 1.00 0.00 C ATOM 0 H LEU A 62 -10.246 -2.685 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.319 0.173 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.107 -2.267 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.109 -1.620 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.875 0.672 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.331 0.128 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.768 -0.768 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.196 -1.594 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.507 0.674 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.371 -1.047 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.644 0.170 -5.918 1.00 0.00 H new ATOM 868 N ALA A 63 -9.307 -0.001 -8.642 1.00 0.00 N ATOM 869 CA ALA A 63 -9.133 -0.057 -10.121 1.00 0.00 C ATOM 870 C ALA A 63 -10.233 -0.923 -10.741 1.00 0.00 C ATOM 871 O ALA A 63 -11.218 -0.419 -11.243 1.00 0.00 O ATOM 872 CB ALA A 63 -7.759 -0.644 -10.455 1.00 0.00 C ATOM 0 H ALA A 63 -9.724 0.860 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.202 0.951 -10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.634 -0.684 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.980 -0.016 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.684 -1.651 -10.043 1.00 0.00 H new ATOM 878 N GLY A 64 -10.079 -2.221 -10.718 1.00 0.00 N ATOM 879 CA GLY A 64 -11.125 -3.099 -11.318 1.00 0.00 C ATOM 880 C GLY A 64 -11.074 -4.491 -10.681 1.00 0.00 C ATOM 881 O GLY A 64 -11.618 -5.441 -11.209 1.00 0.00 O ATOM 0 H GLY A 64 -9.280 -2.708 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.110 -2.658 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.971 -3.177 -12.394 1.00 0.00 H new ATOM 885 N VAL A 65 -10.434 -4.624 -9.553 1.00 0.00 N ATOM 886 CA VAL A 65 -10.364 -5.959 -8.894 1.00 0.00 C ATOM 887 C VAL A 65 -10.925 -5.851 -7.476 1.00 0.00 C ATOM 888 O VAL A 65 -11.090 -4.771 -6.944 1.00 0.00 O ATOM 889 CB VAL A 65 -8.911 -6.431 -8.837 1.00 0.00 C ATOM 890 CG1 VAL A 65 -8.867 -7.916 -8.474 1.00 0.00 C ATOM 891 CG2 VAL A 65 -8.257 -6.224 -10.204 1.00 0.00 C ATOM 0 H VAL A 65 -9.958 -3.869 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.951 -6.678 -9.466 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.373 -5.858 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.830 -8.250 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.335 -8.067 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.405 -8.491 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.221 -6.560 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.797 -6.798 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.286 -5.166 -10.465 1.00 0.00 H new ATOM 901 N HIS A 66 -11.224 -6.960 -6.858 1.00 0.00 N ATOM 902 CA HIS A 66 -11.778 -6.913 -5.476 1.00 0.00 C ATOM 903 C HIS A 66 -10.752 -7.468 -4.487 1.00 0.00 C ATOM 904 O HIS A 66 -10.305 -8.591 -4.606 1.00 0.00 O ATOM 905 CB HIS A 66 -13.049 -7.760 -5.408 1.00 0.00 C ATOM 906 CG HIS A 66 -14.240 -6.912 -5.761 1.00 0.00 C ATOM 907 ND1 HIS A 66 -15.502 -7.163 -5.246 1.00 0.00 N ATOM 908 CD2 HIS A 66 -14.378 -5.816 -6.575 1.00 0.00 C ATOM 909 CE1 HIS A 66 -16.338 -6.239 -5.752 1.00 0.00 C ATOM 910 NE2 HIS A 66 -15.704 -5.392 -6.569 1.00 0.00 N ATOM 0 H HIS A 66 -11.109 -7.895 -7.249 1.00 0.00 H new ATOM 0 HA HIS A 66 -12.008 -5.879 -5.218 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.974 -8.603 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.169 -8.174 -4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.579 -5.353 -7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -17.393 -6.188 -5.526 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -16.105 -4.605 -7.078 1.00 0.00 H new ATOM 918 N TYR A 67 -10.385 -6.692 -3.506 1.00 0.00 N ATOM 919 CA TYR A 67 -9.399 -7.179 -2.502 1.00 0.00 C ATOM 920 C TYR A 67 -10.050 -7.151 -1.117 1.00 0.00 C ATOM 921 O TYR A 67 -11.089 -6.551 -0.927 1.00 0.00 O ATOM 922 CB TYR A 67 -8.164 -6.276 -2.514 1.00 0.00 C ATOM 923 CG TYR A 67 -7.318 -6.599 -3.724 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.467 -7.710 -3.705 1.00 0.00 C ATOM 925 CD2 TYR A 67 -7.388 -5.789 -4.863 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.685 -8.012 -4.826 1.00 0.00 C ATOM 927 CE2 TYR A 67 -6.605 -6.090 -5.985 1.00 0.00 C ATOM 928 CZ TYR A 67 -5.753 -7.201 -5.967 1.00 0.00 C ATOM 929 OH TYR A 67 -4.983 -7.498 -7.072 1.00 0.00 O ATOM 0 H TYR A 67 -10.725 -5.742 -3.356 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.094 -8.197 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.466 -5.229 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.585 -6.421 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.414 -8.334 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.045 -4.932 -4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.029 -8.870 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.659 -5.465 -6.864 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.151 -6.837 -7.775 1.00 0.00 H new ATOM 939 N VAL A 68 -9.458 -7.796 -0.149 1.00 0.00 N ATOM 940 CA VAL A 68 -10.064 -7.803 1.215 1.00 0.00 C ATOM 941 C VAL A 68 -9.037 -7.299 2.232 1.00 0.00 C ATOM 942 O VAL A 68 -8.059 -6.669 1.880 1.00 0.00 O ATOM 943 CB VAL A 68 -10.491 -9.227 1.582 1.00 0.00 C ATOM 944 CG1 VAL A 68 -11.707 -9.172 2.510 1.00 0.00 C ATOM 945 CG2 VAL A 68 -10.859 -9.996 0.310 1.00 0.00 C ATOM 0 H VAL A 68 -8.585 -8.316 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.937 -7.151 1.226 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.668 -9.732 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.011 -10.185 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.448 -8.625 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.529 -8.666 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.163 -11.009 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.681 -9.490 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.995 -10.037 -0.353 1.00 0.00 H new ATOM 955 N THR A 69 -9.253 -7.565 3.491 1.00 0.00 N ATOM 956 CA THR A 69 -8.287 -7.094 4.523 1.00 0.00 C ATOM 957 C THR A 69 -8.386 -7.979 5.767 1.00 0.00 C ATOM 958 O THR A 69 -9.460 -8.240 6.275 1.00 0.00 O ATOM 959 CB THR A 69 -8.614 -5.648 4.899 1.00 0.00 C ATOM 960 OG1 THR A 69 -8.613 -4.846 3.727 1.00 0.00 O ATOM 961 CG2 THR A 69 -7.566 -5.122 5.879 1.00 0.00 C ATOM 0 H THR A 69 -10.054 -8.086 3.849 1.00 0.00 H new ATOM 0 HA THR A 69 -7.275 -7.150 4.123 1.00 0.00 H new ATOM 0 HB THR A 69 -9.597 -5.608 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.065 -5.276 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.801 -4.092 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.567 -5.738 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.581 -5.161 5.414 1.00 0.00 H new ATOM 969 N LEU A 70 -7.271 -8.439 6.266 1.00 0.00 N ATOM 970 CA LEU A 70 -7.294 -9.301 7.481 1.00 0.00 C ATOM 971 C LEU A 70 -6.490 -8.626 8.593 1.00 0.00 C ATOM 972 O LEU A 70 -6.058 -9.261 9.534 1.00 0.00 O ATOM 973 CB LEU A 70 -6.668 -10.660 7.156 1.00 0.00 C ATOM 974 CG LEU A 70 -7.774 -11.685 6.900 1.00 0.00 C ATOM 975 CD1 LEU A 70 -8.597 -11.881 8.174 1.00 0.00 C ATOM 976 CD2 LEU A 70 -8.686 -11.179 5.780 1.00 0.00 C ATOM 0 H LEU A 70 -6.344 -8.254 5.884 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.324 -9.445 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.026 -10.576 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.038 -10.989 7.982 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.327 -12.635 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.385 -12.612 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.949 -12.240 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.045 -10.932 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.475 -11.908 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.131 -10.229 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.102 -11.039 4.870 1.00 0.00 H new ATOM 988 N ARG A 71 -6.283 -7.343 8.489 1.00 0.00 N ATOM 989 CA ARG A 71 -5.504 -6.626 9.536 1.00 0.00 C ATOM 990 C ARG A 71 -5.387 -5.148 9.159 1.00 0.00 C ATOM 991 O ARG A 71 -4.369 -4.702 8.669 1.00 0.00 O ATOM 992 CB ARG A 71 -4.104 -7.235 9.633 1.00 0.00 C ATOM 993 CG ARG A 71 -3.248 -6.399 10.585 1.00 0.00 C ATOM 994 CD ARG A 71 -1.929 -7.125 10.863 1.00 0.00 C ATOM 995 NE ARG A 71 -2.106 -8.042 12.025 1.00 0.00 N ATOM 996 CZ ARG A 71 -1.214 -8.962 12.280 1.00 0.00 C ATOM 997 NH1 ARG A 71 -0.156 -9.078 11.524 1.00 0.00 N ATOM 998 NH2 ARG A 71 -1.380 -9.764 13.295 1.00 0.00 N ATOM 0 H ARG A 71 -6.620 -6.760 7.723 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.012 -6.720 10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.167 -8.263 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.642 -7.269 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.051 -5.420 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.785 -6.229 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.619 -7.690 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.140 -6.402 11.072 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.927 -7.951 12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.024 -8.449 10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.539 -9.797 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.205 -9.672 13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.685 -10.483 13.496 1.00 0.00 H new ATOM 1012 N ALA A 72 -6.422 -4.385 9.377 1.00 0.00 N ATOM 1013 CA ALA A 72 -6.364 -2.939 9.023 1.00 0.00 C ATOM 1014 C ALA A 72 -6.260 -2.098 10.298 1.00 0.00 C ATOM 1015 O ALA A 72 -7.223 -1.505 10.742 1.00 0.00 O ATOM 1016 CB ALA A 72 -7.632 -2.550 8.261 1.00 0.00 C ATOM 0 H ALA A 72 -7.303 -4.699 9.784 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.490 -2.757 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.590 -1.492 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.706 -3.144 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.504 -2.736 8.887 1.00 0.00 H new ATOM 1022 N ASP A 73 -5.096 -2.035 10.887 1.00 0.00 N ATOM 1023 CA ASP A 73 -4.936 -1.225 12.127 1.00 0.00 C ATOM 1024 C ASP A 73 -4.902 0.260 11.757 1.00 0.00 C ATOM 1025 O ASP A 73 -4.942 0.619 10.597 1.00 0.00 O ATOM 1026 CB ASP A 73 -3.631 -1.611 12.825 1.00 0.00 C ATOM 1027 CG ASP A 73 -3.718 -3.062 13.307 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -4.690 -3.717 12.971 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -2.812 -3.491 14.002 1.00 0.00 O ATOM 0 H ASP A 73 -4.252 -2.508 10.564 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.772 -1.414 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.792 -1.494 12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.448 -0.947 13.670 1.00 0.00 H new ATOM 1034 N ASP A 74 -4.832 1.126 12.730 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.798 2.584 12.425 1.00 0.00 C ATOM 1036 C ASP A 74 -3.364 3.004 12.090 1.00 0.00 C ATOM 1037 O ASP A 74 -3.103 4.144 11.762 1.00 0.00 O ATOM 1038 CB ASP A 74 -5.288 3.373 13.640 1.00 0.00 C ATOM 1039 CG ASP A 74 -6.278 4.447 13.187 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -5.885 5.290 12.397 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -7.411 4.410 13.637 1.00 0.00 O ATOM 0 H ASP A 74 -4.797 0.888 13.721 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.446 2.790 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.765 2.702 14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.443 3.835 14.152 1.00 0.00 H new ATOM 1046 N ARG A 75 -2.435 2.091 12.167 1.00 0.00 N ATOM 1047 CA ARG A 75 -1.018 2.438 11.850 1.00 0.00 C ATOM 1048 C ARG A 75 -0.710 2.019 10.413 1.00 0.00 C ATOM 1049 O ARG A 75 -0.467 2.840 9.551 1.00 0.00 O ATOM 1050 CB ARG A 75 -0.058 1.705 12.801 1.00 0.00 C ATOM 1051 CG ARG A 75 -0.837 1.026 13.933 1.00 0.00 C ATOM 1052 CD ARG A 75 0.066 0.878 15.156 1.00 0.00 C ATOM 1053 NE ARG A 75 -0.662 1.345 16.376 1.00 0.00 N ATOM 1054 CZ ARG A 75 -1.276 2.499 16.400 1.00 0.00 C ATOM 1055 NH1 ARG A 75 -1.121 3.361 15.429 1.00 0.00 N ATOM 1056 NH2 ARG A 75 -2.009 2.817 17.433 1.00 0.00 N ATOM 0 H ARG A 75 -2.594 1.120 12.435 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.883 3.513 11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.513 0.960 12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.660 2.411 13.218 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.718 1.616 14.187 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.191 0.047 13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.366 -0.163 15.275 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.978 1.459 15.020 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.680 0.752 17.205 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.515 3.137 14.640 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.606 4.258 15.461 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.099 2.167 18.214 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.491 3.716 17.459 1.00 0.00 H new ATOM 1070 N SER A 76 -0.719 0.741 10.149 1.00 0.00 N ATOM 1071 CA SER A 76 -0.425 0.260 8.772 1.00 0.00 C ATOM 1072 C SER A 76 -1.549 -0.668 8.307 1.00 0.00 C ATOM 1073 O SER A 76 -2.466 -0.968 9.047 1.00 0.00 O ATOM 1074 CB SER A 76 0.896 -0.506 8.775 1.00 0.00 C ATOM 1075 OG SER A 76 1.714 -0.030 9.835 1.00 0.00 O ATOM 0 H SER A 76 -0.918 0.008 10.830 1.00 0.00 H new ATOM 0 HA SER A 76 -0.352 1.112 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.710 -1.573 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.406 -0.377 7.821 1.00 0.00 H new ATOM 0 HG SER A 76 2.562 -0.521 9.840 1.00 0.00 H new ATOM 1081 N ILE A 77 -1.486 -1.127 7.086 1.00 0.00 N ATOM 1082 CA ILE A 77 -2.551 -2.034 6.575 1.00 0.00 C ATOM 1083 C ILE A 77 -2.022 -2.820 5.371 1.00 0.00 C ATOM 1084 O ILE A 77 -1.412 -2.269 4.479 1.00 0.00 O ATOM 1085 CB ILE A 77 -3.761 -1.204 6.142 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -4.328 -0.460 7.353 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -4.836 -2.124 5.563 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -5.631 0.238 6.958 1.00 0.00 C ATOM 0 H ILE A 77 -0.743 -0.912 6.421 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.844 -2.728 7.363 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.452 -0.486 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.510 -1.158 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.606 0.272 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.696 -1.530 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.434 -2.655 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.145 -2.845 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.036 0.768 7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.434 0.948 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.353 -0.504 6.617 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.260 -4.102 5.337 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.781 -4.918 4.185 1.00 0.00 C ATOM 1102 C TYR A 78 -2.834 -5.981 3.853 1.00 0.00 C ATOM 1103 O TYR A 78 -2.732 -7.120 4.264 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.459 -5.608 4.539 1.00 0.00 C ATOM 1105 CG TYR A 78 0.299 -4.803 5.574 1.00 0.00 C ATOM 1106 CD1 TYR A 78 1.209 -3.811 5.174 1.00 0.00 C ATOM 1107 CD2 TYR A 78 0.104 -5.062 6.936 1.00 0.00 C ATOM 1108 CE1 TYR A 78 1.918 -3.084 6.137 1.00 0.00 C ATOM 1109 CE2 TYR A 78 0.812 -4.331 7.897 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.721 -3.343 7.497 1.00 0.00 C ATOM 1111 OH TYR A 78 2.425 -2.626 8.443 1.00 0.00 O ATOM 0 H TYR A 78 -2.765 -4.620 6.056 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.622 -4.267 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.656 -6.610 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.150 -5.723 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.362 -3.609 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.593 -5.826 7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.618 -2.322 5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.657 -4.529 8.947 1.00 0.00 H new ATOM 0 HH TYR A 78 2.953 -1.930 7.999 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.851 -5.615 3.118 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.917 -6.601 2.768 1.00 0.00 C ATOM 1123 C GLY A 79 -4.369 -7.646 1.792 1.00 0.00 C ATOM 1124 O GLY A 79 -3.280 -7.514 1.270 1.00 0.00 O ATOM 0 H GLY A 79 -3.990 -4.676 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.280 -7.091 3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.767 -6.086 2.321 1.00 0.00 H new ATOM 1128 N LYS A 80 -5.122 -8.686 1.541 1.00 0.00 N ATOM 1129 CA LYS A 80 -4.652 -9.741 0.597 1.00 0.00 C ATOM 1130 C LYS A 80 -5.857 -10.399 -0.079 1.00 0.00 C ATOM 1131 O LYS A 80 -6.964 -10.352 0.419 1.00 0.00 O ATOM 1132 CB LYS A 80 -3.857 -10.801 1.365 1.00 0.00 C ATOM 1133 CG LYS A 80 -4.518 -11.055 2.721 1.00 0.00 C ATOM 1134 CD LYS A 80 -4.447 -12.547 3.052 1.00 0.00 C ATOM 1135 CE LYS A 80 -5.293 -13.336 2.051 1.00 0.00 C ATOM 1136 NZ LYS A 80 -6.608 -13.665 2.667 1.00 0.00 N ATOM 0 H LYS A 80 -6.042 -8.849 1.950 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.014 -9.287 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.815 -11.726 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.829 -10.467 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.017 -10.475 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.557 -10.726 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.412 -12.888 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.807 -12.722 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.440 -12.752 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.775 -14.251 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.185 -14.202 1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.457 -14.238 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.102 -12.786 2.922 1.00 0.00 H new ATOM 1150 N LYS A 81 -5.648 -11.019 -1.211 1.00 0.00 N ATOM 1151 CA LYS A 81 -6.779 -11.684 -1.920 1.00 0.00 C ATOM 1152 C LYS A 81 -6.283 -12.248 -3.255 1.00 0.00 C ATOM 1153 O LYS A 81 -6.047 -11.521 -4.199 1.00 0.00 O ATOM 1154 CB LYS A 81 -7.893 -10.667 -2.178 1.00 0.00 C ATOM 1155 CG LYS A 81 -9.249 -11.378 -2.147 1.00 0.00 C ATOM 1156 CD LYS A 81 -9.449 -12.163 -3.444 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.926 -13.589 -3.264 1.00 0.00 C ATOM 1158 NZ LYS A 81 -10.044 -14.481 -2.847 1.00 0.00 N ATOM 0 H LYS A 81 -4.742 -11.093 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.166 -12.495 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.865 -9.881 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.744 -10.186 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.298 -12.052 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.050 -10.649 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.506 -12.183 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.923 -11.672 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.489 -13.948 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.135 -13.605 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.688 -15.450 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.441 -14.142 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.785 -14.474 -3.577 1.00 0.00 H new ATOM 1172 N GLY A 82 -6.124 -13.542 -3.339 1.00 0.00 N ATOM 1173 CA GLY A 82 -5.646 -14.155 -4.612 1.00 0.00 C ATOM 1174 C GLY A 82 -4.117 -14.132 -4.649 1.00 0.00 C ATOM 1175 O GLY A 82 -3.516 -13.986 -5.695 1.00 0.00 O ATOM 0 H GLY A 82 -6.304 -14.201 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.007 -15.181 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.049 -13.608 -5.465 1.00 0.00 H new ATOM 1179 N SER A 83 -3.484 -14.270 -3.517 1.00 0.00 N ATOM 1180 CA SER A 83 -1.994 -14.251 -3.491 1.00 0.00 C ATOM 1181 C SER A 83 -1.499 -12.828 -3.763 1.00 0.00 C ATOM 1182 O SER A 83 -0.313 -12.583 -3.870 1.00 0.00 O ATOM 1183 CB SER A 83 -1.454 -15.197 -4.564 1.00 0.00 C ATOM 1184 OG SER A 83 -1.223 -14.467 -5.760 1.00 0.00 O ATOM 0 H SER A 83 -3.933 -14.395 -2.610 1.00 0.00 H new ATOM 0 HA SER A 83 -1.641 -14.576 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.529 -15.661 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.166 -16.002 -4.747 1.00 0.00 H new ATOM 0 HG SER A 83 -2.073 -14.113 -6.096 1.00 0.00 H new ATOM 1190 N ALA A 84 -2.398 -11.886 -3.871 1.00 0.00 N ATOM 1191 CA ALA A 84 -1.984 -10.480 -4.132 1.00 0.00 C ATOM 1192 C ALA A 84 -2.520 -9.584 -3.015 1.00 0.00 C ATOM 1193 O ALA A 84 -3.714 -9.475 -2.814 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.555 -10.021 -5.475 1.00 0.00 C ATOM 0 H ALA A 84 -3.404 -12.032 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.896 -10.417 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.252 -8.992 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.177 -10.664 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.643 -10.080 -5.447 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.651 -8.946 -2.281 1.00 0.00 N ATOM 1201 CA GLY A 85 -2.120 -8.065 -1.174 1.00 0.00 C ATOM 1202 C GLY A 85 -1.513 -6.671 -1.330 1.00 0.00 C ATOM 1203 O GLY A 85 -0.424 -6.510 -1.842 1.00 0.00 O ATOM 0 H GLY A 85 -0.639 -8.996 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.208 -8.001 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.834 -8.491 -0.212 1.00 0.00 H new ATOM 1207 N VAL A 86 -2.212 -5.662 -0.887 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.683 -4.274 -1.003 1.00 0.00 C ATOM 1209 C VAL A 86 -1.208 -3.795 0.371 1.00 0.00 C ATOM 1210 O VAL A 86 -1.955 -3.792 1.328 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.789 -3.349 -1.515 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.935 -3.312 -0.503 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.229 -1.936 -1.697 1.00 0.00 C ATOM 0 H VAL A 86 -3.130 -5.740 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.846 -4.259 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.158 -3.722 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.722 -2.653 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.336 -4.317 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.565 -2.940 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.017 -1.277 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.859 -1.565 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.412 -1.959 -2.418 1.00 0.00 H new ATOM 1223 N ILE A 87 0.029 -3.391 0.474 1.00 0.00 N ATOM 1224 CA ILE A 87 0.556 -2.913 1.783 1.00 0.00 C ATOM 1225 C ILE A 87 0.271 -1.414 1.927 1.00 0.00 C ATOM 1226 O ILE A 87 1.130 -0.584 1.711 1.00 0.00 O ATOM 1227 CB ILE A 87 2.070 -3.179 1.840 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.305 -4.631 2.271 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.742 -2.236 2.846 1.00 0.00 C ATOM 1230 CD1 ILE A 87 3.161 -5.350 1.227 1.00 0.00 C ATOM 0 H ILE A 87 0.699 -3.372 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 87 0.069 -3.443 2.602 1.00 0.00 H new ATOM 0 HB ILE A 87 2.500 -3.004 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.801 -4.656 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.350 -5.144 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.813 -2.437 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.575 -1.202 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.316 -2.397 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.325 -6.382 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.648 -5.339 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.121 -4.843 1.132 1.00 0.00 H new ATOM 1242 N THR A 88 -0.935 -1.065 2.287 1.00 0.00 N ATOM 1243 CA THR A 88 -1.279 0.376 2.440 1.00 0.00 C ATOM 1244 C THR A 88 -1.053 0.810 3.891 1.00 0.00 C ATOM 1245 O THR A 88 -1.566 0.212 4.816 1.00 0.00 O ATOM 1246 CB THR A 88 -2.745 0.596 2.064 1.00 0.00 C ATOM 1247 OG1 THR A 88 -3.573 0.193 3.144 1.00 0.00 O ATOM 1248 CG2 THR A 88 -3.090 -0.227 0.821 1.00 0.00 C ATOM 0 H THR A 88 -1.696 -1.716 2.481 1.00 0.00 H new ATOM 0 HA THR A 88 -0.643 0.969 1.783 1.00 0.00 H new ATOM 0 HB THR A 88 -2.909 1.652 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.513 0.335 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.135 -0.067 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.455 0.083 -0.009 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.926 -1.285 1.028 1.00 0.00 H new ATOM 1256 N VAL A 89 -0.293 1.850 4.095 1.00 0.00 N ATOM 1257 CA VAL A 89 -0.035 2.327 5.483 1.00 0.00 C ATOM 1258 C VAL A 89 0.084 3.852 5.479 1.00 0.00 C ATOM 1259 O VAL A 89 0.803 4.427 4.685 1.00 0.00 O ATOM 1260 CB VAL A 89 1.265 1.710 6.007 1.00 0.00 C ATOM 1261 CG1 VAL A 89 2.357 1.830 4.944 1.00 0.00 C ATOM 1262 CG2 VAL A 89 1.707 2.448 7.273 1.00 0.00 C ATOM 0 H VAL A 89 0.161 2.391 3.359 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.859 2.027 6.130 1.00 0.00 H new ATOM 0 HB VAL A 89 1.097 0.658 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.281 1.390 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.046 1.304 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.524 2.882 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.632 2.009 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.872 3.500 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.932 2.361 8.034 1.00 0.00 H new ATOM 1272 N LYS A 90 -0.619 4.513 6.358 1.00 0.00 N ATOM 1273 CA LYS A 90 -0.547 6.000 6.401 1.00 0.00 C ATOM 1274 C LYS A 90 0.684 6.431 7.199 1.00 0.00 C ATOM 1275 O LYS A 90 0.927 5.954 8.289 1.00 0.00 O ATOM 1276 CB LYS A 90 -1.806 6.553 7.069 1.00 0.00 C ATOM 1277 CG LYS A 90 -2.539 7.467 6.086 1.00 0.00 C ATOM 1278 CD LYS A 90 -2.788 8.830 6.736 1.00 0.00 C ATOM 1279 CE LYS A 90 -1.449 9.499 7.048 1.00 0.00 C ATOM 1280 NZ LYS A 90 -1.370 9.788 8.508 1.00 0.00 N ATOM 0 H LYS A 90 -1.239 4.088 7.047 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.474 6.388 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.457 5.735 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.541 7.107 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.948 7.589 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.486 7.015 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.375 9.461 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.367 8.708 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.627 8.849 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.349 10.422 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.373 9.885 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.876 10.673 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.805 9.008 9.040 1.00 0.00 H new ATOM 1294 N THR A 91 1.461 7.332 6.664 1.00 0.00 N ATOM 1295 CA THR A 91 2.674 7.794 7.394 1.00 0.00 C ATOM 1296 C THR A 91 2.401 9.167 8.017 1.00 0.00 C ATOM 1297 O THR A 91 1.842 9.268 9.091 1.00 0.00 O ATOM 1298 CB THR A 91 3.853 7.884 6.421 1.00 0.00 C ATOM 1299 OG1 THR A 91 3.398 8.363 5.162 1.00 0.00 O ATOM 1300 CG2 THR A 91 4.472 6.496 6.247 1.00 0.00 C ATOM 0 H THR A 91 1.308 7.767 5.754 1.00 0.00 H new ATOM 0 HA THR A 91 2.919 7.085 8.185 1.00 0.00 H new ATOM 0 HB THR A 91 4.601 8.571 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.064 8.975 4.785 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.312 6.556 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.823 6.130 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.723 5.811 5.850 1.00 0.00 H new ATOM 1308 N SER A 92 2.784 10.225 7.356 1.00 0.00 N ATOM 1309 CA SER A 92 2.537 11.580 7.920 1.00 0.00 C ATOM 1310 C SER A 92 1.782 12.428 6.894 1.00 0.00 C ATOM 1311 O SER A 92 0.852 13.139 7.225 1.00 0.00 O ATOM 1312 CB SER A 92 3.873 12.247 8.247 1.00 0.00 C ATOM 1313 OG SER A 92 3.775 12.907 9.502 1.00 0.00 O ATOM 0 H SER A 92 3.256 10.209 6.452 1.00 0.00 H new ATOM 0 HA SER A 92 1.942 11.493 8.829 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.667 11.501 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.136 12.962 7.467 1.00 0.00 H new ATOM 0 HG SER A 92 4.631 13.334 9.715 1.00 0.00 H new ATOM 1319 N LYS A 93 2.173 12.360 5.650 1.00 0.00 N ATOM 1320 CA LYS A 93 1.478 13.163 4.603 1.00 0.00 C ATOM 1321 C LYS A 93 1.473 12.389 3.280 1.00 0.00 C ATOM 1322 O LYS A 93 1.840 12.912 2.246 1.00 0.00 O ATOM 1323 CB LYS A 93 2.213 14.493 4.403 1.00 0.00 C ATOM 1324 CG LYS A 93 2.103 15.346 5.671 1.00 0.00 C ATOM 1325 CD LYS A 93 0.807 16.159 5.630 1.00 0.00 C ATOM 1326 CE LYS A 93 1.128 17.618 5.296 1.00 0.00 C ATOM 1327 NZ LYS A 93 1.341 18.382 6.558 1.00 0.00 N ATOM 0 H LYS A 93 2.944 11.783 5.313 1.00 0.00 H new ATOM 0 HA LYS A 93 0.453 13.354 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.261 14.307 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.787 15.030 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.116 14.707 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.961 16.014 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.129 15.745 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.297 16.099 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.020 17.671 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.311 18.059 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.559 19.373 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.479 18.341 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.134 17.965 7.086 1.00 0.00 H new ATOM 1341 N SER A 94 1.061 11.150 3.300 1.00 0.00 N ATOM 1342 CA SER A 94 1.035 10.355 2.038 1.00 0.00 C ATOM 1343 C SER A 94 0.740 8.889 2.359 1.00 0.00 C ATOM 1344 O SER A 94 0.815 8.466 3.497 1.00 0.00 O ATOM 1345 CB SER A 94 2.393 10.460 1.343 1.00 0.00 C ATOM 1346 OG SER A 94 3.413 10.591 2.325 1.00 0.00 O ATOM 0 H SER A 94 0.742 10.655 4.133 1.00 0.00 H new ATOM 0 HA SER A 94 0.257 10.745 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.571 9.575 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.406 11.319 0.672 1.00 0.00 H new ATOM 0 HG SER A 94 3.819 9.715 2.494 1.00 0.00 H new ATOM 1352 N ILE A 95 0.409 8.106 1.367 1.00 0.00 N ATOM 1353 CA ILE A 95 0.115 6.669 1.618 1.00 0.00 C ATOM 1354 C ILE A 95 1.107 5.805 0.840 1.00 0.00 C ATOM 1355 O ILE A 95 1.488 6.124 -0.270 1.00 0.00 O ATOM 1356 CB ILE A 95 -1.309 6.345 1.161 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -2.266 7.430 1.662 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -1.731 4.990 1.734 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -3.624 7.275 0.975 1.00 0.00 C ATOM 0 H ILE A 95 0.330 8.401 0.394 1.00 0.00 H new ATOM 0 HA ILE A 95 0.207 6.463 2.684 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.341 6.307 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.383 7.354 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.853 8.417 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.745 4.758 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.050 4.217 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.699 5.029 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.303 8.048 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.499 7.373 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.038 6.293 1.205 1.00 0.00 H new ATOM 1371 N LEU A 96 1.528 4.711 1.410 1.00 0.00 N ATOM 1372 CA LEU A 96 2.493 3.823 0.704 1.00 0.00 C ATOM 1373 C LEU A 96 1.763 2.551 0.270 1.00 0.00 C ATOM 1374 O LEU A 96 0.848 2.104 0.929 1.00 0.00 O ATOM 1375 CB LEU A 96 3.649 3.449 1.642 1.00 0.00 C ATOM 1376 CG LEU A 96 3.821 4.516 2.731 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.650 3.942 3.881 1.00 0.00 C ATOM 1378 CD2 LEU A 96 4.544 5.730 2.147 1.00 0.00 C ATOM 0 H LEU A 96 1.245 4.393 2.337 1.00 0.00 H new ATOM 0 HA LEU A 96 2.897 4.343 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.454 2.480 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.572 3.351 1.071 1.00 0.00 H new ATOM 0 HG LEU A 96 2.840 4.817 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.772 4.700 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.140 3.075 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.630 3.642 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.666 6.488 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.524 5.427 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.958 6.142 1.325 1.00 0.00 H new ATOM 1390 N VAL A 97 2.145 1.964 -0.831 1.00 0.00 N ATOM 1391 CA VAL A 97 1.441 0.729 -1.280 1.00 0.00 C ATOM 1392 C VAL A 97 2.448 -0.352 -1.677 1.00 0.00 C ATOM 1393 O VAL A 97 3.364 -0.118 -2.441 1.00 0.00 O ATOM 1394 CB VAL A 97 0.553 1.055 -2.481 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.046 -0.236 -3.041 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.576 1.987 -2.039 1.00 0.00 C ATOM 0 H VAL A 97 2.905 2.281 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 97 0.832 0.358 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 97 1.150 1.542 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.679 -0.002 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.757 -0.903 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.643 -0.724 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.210 2.221 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.171 1.497 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.152 2.908 -1.639 1.00 0.00 H new ATOM 1406 N GLY A 98 2.262 -1.541 -1.176 1.00 0.00 N ATOM 1407 CA GLY A 98 3.174 -2.666 -1.529 1.00 0.00 C ATOM 1408 C GLY A 98 2.340 -3.749 -2.211 1.00 0.00 C ATOM 1409 O GLY A 98 1.763 -4.601 -1.565 1.00 0.00 O ATOM 0 H GLY A 98 1.510 -1.784 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.967 -2.321 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.656 -3.062 -0.635 1.00 0.00 H new ATOM 1413 N VAL A 99 2.248 -3.711 -3.511 1.00 0.00 N ATOM 1414 CA VAL A 99 1.416 -4.728 -4.220 1.00 0.00 C ATOM 1415 C VAL A 99 2.305 -5.889 -4.680 1.00 0.00 C ATOM 1416 O VAL A 99 3.120 -5.749 -5.571 1.00 0.00 O ATOM 1417 CB VAL A 99 0.708 -4.094 -5.436 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -0.806 -4.204 -5.253 1.00 0.00 C ATOM 1419 CG2 VAL A 99 1.082 -2.611 -5.575 1.00 0.00 C ATOM 0 H VAL A 99 2.708 -3.026 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 99 0.657 -5.103 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 99 1.024 -4.625 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.310 -3.757 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.088 -5.254 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.102 -3.679 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.571 -2.186 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.781 -2.074 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.160 -2.519 -5.710 1.00 0.00 H new ATOM 1429 N TYR A 100 2.153 -7.035 -4.069 1.00 0.00 N ATOM 1430 CA TYR A 100 2.986 -8.210 -4.456 1.00 0.00 C ATOM 1431 C TYR A 100 2.082 -9.352 -4.935 1.00 0.00 C ATOM 1432 O TYR A 100 0.912 -9.408 -4.611 1.00 0.00 O ATOM 1433 CB TYR A 100 3.794 -8.678 -3.243 1.00 0.00 C ATOM 1434 CG TYR A 100 2.862 -8.941 -2.086 1.00 0.00 C ATOM 1435 CD1 TYR A 100 2.154 -10.146 -2.020 1.00 0.00 C ATOM 1436 CD2 TYR A 100 2.708 -7.983 -1.076 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.292 -10.395 -0.946 1.00 0.00 C ATOM 1438 CE2 TYR A 100 1.845 -8.232 -0.002 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.137 -9.437 0.062 1.00 0.00 C ATOM 1440 OH TYR A 100 0.288 -9.683 1.121 1.00 0.00 O ATOM 0 H TYR A 100 1.486 -7.207 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 100 3.662 -7.924 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.348 -9.583 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.528 -7.920 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.273 -10.885 -2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.255 -7.053 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.747 -11.326 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.726 -7.494 0.777 1.00 0.00 H new ATOM 0 HH TYR A 100 0.470 -9.044 1.842 1.00 0.00 H new ATOM 1450 N ASN A 101 2.619 -10.266 -5.702 1.00 0.00 N ATOM 1451 CA ASN A 101 1.797 -11.409 -6.199 1.00 0.00 C ATOM 1452 C ASN A 101 2.544 -12.722 -5.954 1.00 0.00 C ATOM 1453 O ASN A 101 3.679 -12.730 -5.525 1.00 0.00 O ATOM 1454 CB ASN A 101 1.546 -11.246 -7.701 1.00 0.00 C ATOM 1455 CG ASN A 101 1.111 -9.810 -7.996 1.00 0.00 C ATOM 1456 OD1 ASN A 101 0.682 -9.099 -7.108 1.00 0.00 O ATOM 1457 ND2 ASN A 101 1.206 -9.350 -9.213 1.00 0.00 N ATOM 0 H ASN A 101 3.593 -10.270 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 101 0.845 -11.424 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.451 -11.484 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.776 -11.944 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.920 -8.393 -9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.566 -9.947 -9.957 1.00 0.00 H new ATOM 1464 N GLU A 102 1.916 -13.833 -6.230 1.00 0.00 N ATOM 1465 CA GLU A 102 2.589 -15.145 -6.019 1.00 0.00 C ATOM 1466 C GLU A 102 2.730 -15.417 -4.520 1.00 0.00 C ATOM 1467 O GLU A 102 3.614 -16.131 -4.090 1.00 0.00 O ATOM 1468 CB GLU A 102 3.978 -15.117 -6.661 1.00 0.00 C ATOM 1469 CG GLU A 102 3.891 -14.479 -8.049 1.00 0.00 C ATOM 1470 CD GLU A 102 3.127 -15.407 -8.993 1.00 0.00 C ATOM 1471 OE1 GLU A 102 3.614 -16.499 -9.239 1.00 0.00 O ATOM 1472 OE2 GLU A 102 2.070 -15.011 -9.457 1.00 0.00 O ATOM 0 H GLU A 102 0.964 -13.888 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 102 1.990 -15.933 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.668 -14.553 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.374 -16.130 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.388 -13.514 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.892 -14.292 -8.438 1.00 0.00 H new ATOM 1479 N LYS A 103 1.866 -14.855 -3.719 1.00 0.00 N ATOM 1480 CA LYS A 103 1.956 -15.088 -2.249 1.00 0.00 C ATOM 1481 C LYS A 103 3.370 -14.749 -1.765 1.00 0.00 C ATOM 1482 O LYS A 103 4.185 -15.624 -1.546 1.00 0.00 O ATOM 1483 CB LYS A 103 1.652 -16.557 -1.948 1.00 0.00 C ATOM 1484 CG LYS A 103 0.382 -16.657 -1.102 1.00 0.00 C ATOM 1485 CD LYS A 103 -0.674 -17.467 -1.858 1.00 0.00 C ATOM 1486 CE LYS A 103 -1.168 -18.615 -0.974 1.00 0.00 C ATOM 1487 NZ LYS A 103 -2.171 -18.099 0.001 1.00 0.00 N ATOM 0 H LYS A 103 1.104 -14.246 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 103 1.234 -14.454 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.525 -17.110 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.490 -17.011 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.605 -17.133 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.001 -15.660 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.509 -16.824 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.252 -17.862 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.613 -19.396 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.329 -19.066 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.506 -18.880 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.732 -17.368 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.976 -17.688 -0.514 1.00 0.00 H new ATOM 1501 N ILE A 104 3.670 -13.489 -1.597 1.00 0.00 N ATOM 1502 CA ILE A 104 5.033 -13.106 -1.130 1.00 0.00 C ATOM 1503 C ILE A 104 5.014 -12.853 0.379 1.00 0.00 C ATOM 1504 O ILE A 104 5.423 -11.810 0.846 1.00 0.00 O ATOM 1505 CB ILE A 104 5.487 -11.836 -1.849 1.00 0.00 C ATOM 1506 CG1 ILE A 104 5.472 -12.077 -3.365 1.00 0.00 C ATOM 1507 CG2 ILE A 104 6.902 -11.481 -1.391 1.00 0.00 C ATOM 1508 CD1 ILE A 104 6.354 -11.041 -4.071 1.00 0.00 C ATOM 0 H ILE A 104 3.032 -12.711 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 104 5.725 -13.918 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 104 4.813 -11.013 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.831 -13.082 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.451 -12.014 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.233 -10.576 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.905 -11.313 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.579 -12.301 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.337 -11.221 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.976 -10.040 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.377 -11.125 -3.706 1.00 0.00 H new ATOM 1520 N GLN A 105 4.550 -13.805 1.141 1.00 0.00 N ATOM 1521 CA GLN A 105 4.508 -13.636 2.624 1.00 0.00 C ATOM 1522 C GLN A 105 4.034 -12.221 2.984 1.00 0.00 C ATOM 1523 O GLN A 105 4.820 -11.295 3.006 1.00 0.00 O ATOM 1524 CB GLN A 105 5.907 -13.856 3.199 1.00 0.00 C ATOM 1525 CG GLN A 105 5.819 -14.790 4.407 1.00 0.00 C ATOM 1526 CD GLN A 105 6.961 -15.807 4.353 1.00 0.00 C ATOM 1527 OE1 GLN A 105 7.535 -16.039 3.308 1.00 0.00 O ATOM 1528 NE2 GLN A 105 7.315 -16.431 5.444 1.00 0.00 N ATOM 0 H GLN A 105 4.196 -14.698 0.799 1.00 0.00 H new ATOM 0 HA GLN A 105 3.813 -14.364 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.561 -14.286 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.345 -12.902 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.875 -14.213 5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.859 -15.306 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.833 -16.237 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.073 -17.113 5.418 1.00 0.00 H new ATOM 1537 N PRO A 106 2.762 -12.098 3.271 1.00 0.00 N ATOM 1538 CA PRO A 106 2.168 -10.801 3.643 1.00 0.00 C ATOM 1539 C PRO A 106 2.870 -10.230 4.879 1.00 0.00 C ATOM 1540 O PRO A 106 2.715 -9.071 5.209 1.00 0.00 O ATOM 1541 CB PRO A 106 0.697 -11.114 3.951 1.00 0.00 C ATOM 1542 CG PRO A 106 0.476 -12.628 3.701 1.00 0.00 C ATOM 1543 CD PRO A 106 1.818 -13.230 3.252 1.00 0.00 C ATOM 0 HA PRO A 106 2.270 -10.057 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.459 -10.858 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.039 -10.521 3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.122 -13.117 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.287 -12.782 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.140 -14.025 3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.743 -13.666 2.256 1.00 0.00 H new ATOM 1551 N GLY A 107 3.638 -11.032 5.567 1.00 0.00 N ATOM 1552 CA GLY A 107 4.342 -10.528 6.781 1.00 0.00 C ATOM 1553 C GLY A 107 5.804 -10.220 6.444 1.00 0.00 C ATOM 1554 O GLY A 107 6.413 -9.350 7.032 1.00 0.00 O ATOM 0 H GLY A 107 3.808 -12.012 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.848 -9.630 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.292 -11.271 7.576 1.00 0.00 H new ATOM 1558 N THR A 108 6.374 -10.926 5.505 1.00 0.00 N ATOM 1559 CA THR A 108 7.797 -10.665 5.142 1.00 0.00 C ATOM 1560 C THR A 108 7.891 -9.352 4.363 1.00 0.00 C ATOM 1561 O THR A 108 8.874 -8.642 4.443 1.00 0.00 O ATOM 1562 CB THR A 108 8.327 -11.811 4.275 1.00 0.00 C ATOM 1563 OG1 THR A 108 8.093 -13.047 4.935 1.00 0.00 O ATOM 1564 CG2 THR A 108 9.829 -11.630 4.047 1.00 0.00 C ATOM 0 H THR A 108 5.918 -11.669 4.975 1.00 0.00 H new ATOM 0 HA THR A 108 8.394 -10.594 6.051 1.00 0.00 H new ATOM 0 HB THR A 108 7.813 -11.807 3.314 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.688 -13.733 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.204 -12.446 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.009 -10.681 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.346 -11.633 5.007 1.00 0.00 H new ATOM 1572 N ALA A 109 6.879 -9.026 3.608 1.00 0.00 N ATOM 1573 CA ALA A 109 6.910 -7.761 2.822 1.00 0.00 C ATOM 1574 C ALA A 109 6.361 -6.614 3.676 1.00 0.00 C ATOM 1575 O ALA A 109 6.530 -5.454 3.356 1.00 0.00 O ATOM 1576 CB ALA A 109 6.048 -7.923 1.569 1.00 0.00 C ATOM 0 H ALA A 109 6.031 -9.582 3.501 1.00 0.00 H new ATOM 0 HA ALA A 109 7.937 -7.536 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.068 -6.999 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.439 -8.739 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.022 -8.146 1.860 1.00 0.00 H new ATOM 1582 N ALA A 110 5.702 -6.929 4.756 1.00 0.00 N ATOM 1583 CA ALA A 110 5.140 -5.858 5.625 1.00 0.00 C ATOM 1584 C ALA A 110 6.221 -5.354 6.584 1.00 0.00 C ATOM 1585 O ALA A 110 6.236 -4.200 6.966 1.00 0.00 O ATOM 1586 CB ALA A 110 3.963 -6.421 6.424 1.00 0.00 C ATOM 0 H ALA A 110 5.528 -7.882 5.075 1.00 0.00 H new ATOM 0 HA ALA A 110 4.796 -5.029 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.549 -5.640 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.194 -6.775 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.307 -7.250 7.043 1.00 0.00 H new ATOM 1592 N ASN A 111 7.129 -6.206 6.975 1.00 0.00 N ATOM 1593 CA ASN A 111 8.208 -5.768 7.906 1.00 0.00 C ATOM 1594 C ASN A 111 9.211 -4.894 7.151 1.00 0.00 C ATOM 1595 O ASN A 111 9.704 -3.911 7.667 1.00 0.00 O ATOM 1596 CB ASN A 111 8.923 -6.996 8.474 1.00 0.00 C ATOM 1597 CG ASN A 111 8.272 -7.398 9.800 1.00 0.00 C ATOM 1598 OD1 ASN A 111 7.821 -8.515 9.954 1.00 0.00 O ATOM 1599 ND2 ASN A 111 8.199 -6.526 10.769 1.00 0.00 N ATOM 0 H ASN A 111 7.171 -7.185 6.691 1.00 0.00 H new ATOM 0 HA ASN A 111 7.771 -5.194 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.869 -7.822 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.980 -6.776 8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.763 -6.783 11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 111 8.578 -5.588 10.640 1.00 0.00 H new ATOM 1606 N VAL A 112 9.515 -5.240 5.929 1.00 0.00 N ATOM 1607 CA VAL A 112 10.483 -4.424 5.144 1.00 0.00 C ATOM 1608 C VAL A 112 9.922 -3.012 4.966 1.00 0.00 C ATOM 1609 O VAL A 112 10.644 -2.036 5.012 1.00 0.00 O ATOM 1610 CB VAL A 112 10.695 -5.067 3.772 1.00 0.00 C ATOM 1611 CG1 VAL A 112 9.345 -5.244 3.079 1.00 0.00 C ATOM 1612 CG2 VAL A 112 11.591 -4.168 2.918 1.00 0.00 C ATOM 0 H VAL A 112 9.135 -6.051 5.442 1.00 0.00 H new ATOM 0 HA VAL A 112 11.436 -4.375 5.671 1.00 0.00 H new ATOM 0 HB VAL A 112 11.171 -6.040 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.495 -5.702 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.706 -5.885 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.870 -4.271 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.741 -4.627 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.116 -3.195 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.555 -4.041 3.411 1.00 0.00 H new ATOM 1622 N VAL A 113 8.636 -2.896 4.768 1.00 0.00 N ATOM 1623 CA VAL A 113 8.030 -1.546 4.592 1.00 0.00 C ATOM 1624 C VAL A 113 8.102 -0.782 5.916 1.00 0.00 C ATOM 1625 O VAL A 113 8.029 0.430 5.949 1.00 0.00 O ATOM 1626 CB VAL A 113 6.568 -1.691 4.161 1.00 0.00 C ATOM 1627 CG1 VAL A 113 6.002 -0.318 3.795 1.00 0.00 C ATOM 1628 CG2 VAL A 113 6.486 -2.616 2.943 1.00 0.00 C ATOM 0 H VAL A 113 7.981 -3.676 4.721 1.00 0.00 H new ATOM 0 HA VAL A 113 8.578 -0.998 3.825 1.00 0.00 H new ATOM 0 HB VAL A 113 5.989 -2.114 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.961 -0.423 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.060 0.342 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.580 0.107 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.446 -2.720 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.066 -2.191 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.888 -3.596 3.202 1.00 0.00 H new ATOM 1638 N GLU A 114 8.250 -1.480 7.010 1.00 0.00 N ATOM 1639 CA GLU A 114 8.332 -0.793 8.325 1.00 0.00 C ATOM 1640 C GLU A 114 9.585 0.084 8.354 1.00 0.00 C ATOM 1641 O GLU A 114 9.509 1.290 8.477 1.00 0.00 O ATOM 1642 CB GLU A 114 8.409 -1.841 9.435 1.00 0.00 C ATOM 1643 CG GLU A 114 8.754 -1.155 10.750 1.00 0.00 C ATOM 1644 CD GLU A 114 8.152 -1.946 11.914 1.00 0.00 C ATOM 1645 OE1 GLU A 114 6.970 -1.780 12.167 1.00 0.00 O ATOM 1646 OE2 GLU A 114 8.882 -2.705 12.528 1.00 0.00 O ATOM 0 H GLU A 114 8.317 -2.497 7.047 1.00 0.00 H new ATOM 0 HA GLU A 114 7.450 -0.171 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.457 -2.365 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.163 -2.589 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.836 -1.087 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.369 -0.135 10.752 1.00 0.00 H new ATOM 1653 N LYS A 115 10.740 -0.513 8.232 1.00 0.00 N ATOM 1654 CA LYS A 115 11.997 0.288 8.241 1.00 0.00 C ATOM 1655 C LYS A 115 11.979 1.263 7.061 1.00 0.00 C ATOM 1656 O LYS A 115 12.398 2.399 7.170 1.00 0.00 O ATOM 1657 CB LYS A 115 13.198 -0.651 8.110 1.00 0.00 C ATOM 1658 CG LYS A 115 13.561 -1.217 9.483 1.00 0.00 C ATOM 1659 CD LYS A 115 14.892 -0.619 9.946 1.00 0.00 C ATOM 1660 CE LYS A 115 14.630 0.442 11.016 1.00 0.00 C ATOM 1661 NZ LYS A 115 15.814 1.340 11.124 1.00 0.00 N ATOM 0 H LYS A 115 10.867 -1.520 8.127 1.00 0.00 H new ATOM 0 HA LYS A 115 12.073 0.845 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.964 -1.463 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.049 -0.113 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.776 -0.985 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.636 -2.303 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.535 -1.403 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.417 -0.176 9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.743 1.021 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.433 -0.035 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.637 2.062 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.651 0.781 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.982 1.805 10.209 1.00 0.00 H new ATOM 1675 N LEU A 116 11.488 0.825 5.934 1.00 0.00 N ATOM 1676 CA LEU A 116 11.434 1.719 4.744 1.00 0.00 C ATOM 1677 C LEU A 116 10.635 2.977 5.088 1.00 0.00 C ATOM 1678 O LEU A 116 10.836 4.030 4.515 1.00 0.00 O ATOM 1679 CB LEU A 116 10.750 0.982 3.592 1.00 0.00 C ATOM 1680 CG LEU A 116 11.635 1.040 2.348 1.00 0.00 C ATOM 1681 CD1 LEU A 116 12.468 -0.240 2.249 1.00 0.00 C ATOM 1682 CD2 LEU A 116 10.753 1.170 1.106 1.00 0.00 C ATOM 0 H LEU A 116 11.121 -0.115 5.786 1.00 0.00 H new ATOM 0 HA LEU A 116 12.445 2.000 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.564 -0.055 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.781 1.434 3.382 1.00 0.00 H new ATOM 0 HG LEU A 116 12.301 1.900 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.098 -0.196 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.096 -0.335 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.804 -1.102 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.381 1.212 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.088 0.309 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.160 2.082 1.175 1.00 0.00 H new ATOM 1694 N ALA A 117 9.729 2.875 6.021 1.00 0.00 N ATOM 1695 CA ALA A 117 8.913 4.059 6.406 1.00 0.00 C ATOM 1696 C ALA A 117 9.760 5.008 7.257 1.00 0.00 C ATOM 1697 O ALA A 117 9.747 6.207 7.064 1.00 0.00 O ATOM 1698 CB ALA A 117 7.701 3.597 7.216 1.00 0.00 C ATOM 0 H ALA A 117 9.519 2.019 6.535 1.00 0.00 H new ATOM 0 HA ALA A 117 8.577 4.577 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.102 4.462 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.097 2.919 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.039 3.080 8.114 1.00 0.00 H new ATOM 1704 N ASP A 118 10.497 4.482 8.195 1.00 0.00 N ATOM 1705 CA ASP A 118 11.344 5.359 9.054 1.00 0.00 C ATOM 1706 C ASP A 118 12.226 6.241 8.169 1.00 0.00 C ATOM 1707 O ASP A 118 12.741 7.253 8.603 1.00 0.00 O ATOM 1708 CB ASP A 118 12.228 4.492 9.955 1.00 0.00 C ATOM 1709 CG ASP A 118 11.391 3.927 11.104 1.00 0.00 C ATOM 1710 OD1 ASP A 118 10.778 4.713 11.808 1.00 0.00 O ATOM 1711 OD2 ASP A 118 11.378 2.717 11.261 1.00 0.00 O ATOM 0 H ASP A 118 10.550 3.485 8.405 1.00 0.00 H new ATOM 0 HA ASP A 118 10.704 5.989 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.667 3.679 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.054 5.084 10.350 1.00 0.00 H new ATOM 1716 N TYR A 119 12.409 5.866 6.932 1.00 0.00 N ATOM 1717 CA TYR A 119 13.261 6.684 6.023 1.00 0.00 C ATOM 1718 C TYR A 119 12.440 7.844 5.446 1.00 0.00 C ATOM 1719 O TYR A 119 12.780 8.999 5.613 1.00 0.00 O ATOM 1720 CB TYR A 119 13.772 5.799 4.882 1.00 0.00 C ATOM 1721 CG TYR A 119 15.006 6.417 4.262 1.00 0.00 C ATOM 1722 CD1 TYR A 119 16.013 6.948 5.078 1.00 0.00 C ATOM 1723 CD2 TYR A 119 15.143 6.451 2.869 1.00 0.00 C ATOM 1724 CE1 TYR A 119 17.157 7.514 4.500 1.00 0.00 C ATOM 1725 CE2 TYR A 119 16.287 7.016 2.291 1.00 0.00 C ATOM 1726 CZ TYR A 119 17.294 7.547 3.107 1.00 0.00 C ATOM 1727 OH TYR A 119 18.422 8.102 2.537 1.00 0.00 O ATOM 0 H TYR A 119 12.005 5.029 6.512 1.00 0.00 H new ATOM 0 HA TYR A 119 14.105 7.088 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 119 14.004 4.803 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 119 12.995 5.681 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 119 15.908 6.921 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 119 14.366 6.041 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 119 17.933 7.925 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 119 16.393 7.042 1.216 1.00 0.00 H new ATOM 0 HH TYR A 119 18.358 8.043 1.561 1.00 0.00 H new ATOM 1737 N LEU A 120 11.365 7.547 4.765 1.00 0.00 N ATOM 1738 CA LEU A 120 10.530 8.631 4.173 1.00 0.00 C ATOM 1739 C LEU A 120 9.983 9.538 5.279 1.00 0.00 C ATOM 1740 O LEU A 120 10.188 10.736 5.267 1.00 0.00 O ATOM 1741 CB LEU A 120 9.357 8.011 3.409 1.00 0.00 C ATOM 1742 CG LEU A 120 9.553 8.220 1.906 1.00 0.00 C ATOM 1743 CD1 LEU A 120 8.417 7.534 1.145 1.00 0.00 C ATOM 1744 CD2 LEU A 120 9.542 9.718 1.591 1.00 0.00 C ATOM 0 H LEU A 120 11.029 6.599 4.593 1.00 0.00 H new ATOM 0 HA LEU A 120 11.146 9.221 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.287 6.946 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.420 8.466 3.730 1.00 0.00 H new ATOM 0 HG LEU A 120 10.508 7.792 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.555 7.682 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.422 6.467 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.463 7.964 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.682 9.866 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.587 10.147 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.349 10.210 2.133 1.00 0.00 H new ATOM 1756 N ILE A 121 9.281 8.979 6.230 1.00 0.00 N ATOM 1757 CA ILE A 121 8.712 9.810 7.333 1.00 0.00 C ATOM 1758 C ILE A 121 9.738 10.855 7.777 1.00 0.00 C ATOM 1759 O ILE A 121 9.387 11.931 8.221 1.00 0.00 O ATOM 1760 CB ILE A 121 8.346 8.908 8.514 1.00 0.00 C ATOM 1761 CG1 ILE A 121 7.083 8.114 8.169 1.00 0.00 C ATOM 1762 CG2 ILE A 121 8.082 9.764 9.755 1.00 0.00 C ATOM 1763 CD1 ILE A 121 7.211 6.685 8.700 1.00 0.00 C ATOM 0 H ILE A 121 9.077 7.982 6.291 1.00 0.00 H new ATOM 0 HA ILE A 121 7.817 10.320 6.977 1.00 0.00 H new ATOM 0 HB ILE A 121 9.170 8.223 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.208 8.597 8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 121 6.935 8.099 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.822 9.118 10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.978 10.335 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.258 10.450 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.310 6.123 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.076 6.203 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.338 6.709 9.782 1.00 0.00 H new ATOM 1775 N GLY A 122 11.000 10.553 7.658 1.00 0.00 N ATOM 1776 CA GLY A 122 12.041 11.536 8.069 1.00 0.00 C ATOM 1777 C GLY A 122 12.679 12.150 6.822 1.00 0.00 C ATOM 1778 O GLY A 122 13.885 12.205 6.696 1.00 0.00 O ATOM 0 H GLY A 122 11.356 9.669 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.596 12.317 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 122 12.802 11.045 8.676 1.00 0.00 H new ATOM 1782 N GLN A 123 11.876 12.609 5.898 1.00 0.00 N ATOM 1783 CA GLN A 123 12.424 13.215 4.656 1.00 0.00 C ATOM 1784 C GLN A 123 11.282 13.807 3.826 1.00 0.00 C ATOM 1785 O GLN A 123 11.158 15.009 3.694 1.00 0.00 O ATOM 1786 CB GLN A 123 13.134 12.135 3.846 1.00 0.00 C ATOM 1787 CG GLN A 123 14.639 12.331 3.972 1.00 0.00 C ATOM 1788 CD GLN A 123 15.349 10.990 3.789 1.00 0.00 C ATOM 1789 OE1 GLN A 123 15.052 10.244 2.760 1.00 0.00 O flip ATOM 1790 NE2 GLN A 123 16.180 10.614 4.591 1.00 0.00 N flip ATOM 0 H GLN A 123 10.858 12.588 5.954 1.00 0.00 H new ATOM 0 HA GLN A 123 13.128 14.006 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.851 11.146 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.833 12.190 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.987 13.043 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.880 12.751 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.413 11.196 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.645 9.716 4.460 1.00 0.00 H new ATOM 1799 N GLY A 124 10.449 12.974 3.263 1.00 0.00 N ATOM 1800 CA GLY A 124 9.319 13.493 2.440 1.00 0.00 C ATOM 1801 C GLY A 124 8.028 12.767 2.822 1.00 0.00 C ATOM 1802 O GLY A 124 7.364 12.184 1.989 1.00 0.00 O ATOM 0 H GLY A 124 10.502 11.958 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 124 9.205 14.566 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.530 13.347 1.381 1.00 0.00 H new ATOM 1806 N PHE A 125 7.667 12.803 4.076 1.00 0.00 N ATOM 1807 CA PHE A 125 6.418 12.121 4.518 1.00 0.00 C ATOM 1808 C PHE A 125 6.307 10.758 3.831 1.00 0.00 C ATOM 1809 O PHE A 125 5.211 10.223 3.794 1.00 0.00 O ATOM 1810 CB PHE A 125 5.204 12.980 4.150 1.00 0.00 C ATOM 1811 CG PHE A 125 5.588 14.441 4.160 1.00 0.00 C ATOM 1812 CD1 PHE A 125 6.171 15.018 3.026 1.00 0.00 C ATOM 1813 CD2 PHE A 125 5.360 15.219 5.302 1.00 0.00 C ATOM 1814 CE1 PHE A 125 6.527 16.371 3.033 1.00 0.00 C ATOM 1815 CE2 PHE A 125 5.715 16.573 5.309 1.00 0.00 C ATOM 1816 CZ PHE A 125 6.299 17.150 4.174 1.00 0.00 C ATOM 1817 OXT PHE A 125 7.319 10.274 3.351 1.00 0.00 O ATOM 0 H PHE A 125 8.185 13.277 4.816 1.00 0.00 H new ATOM 0 HA PHE A 125 6.447 11.981 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 125 4.834 12.699 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.394 12.803 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.346 14.418 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.910 14.774 6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 125 6.978 16.815 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.539 17.173 6.190 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.573 18.195 4.179 1.00 0.00 H new TER 1827 PHE A 125