USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -77:sc= 0.667 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.24 K(o=-0.58,f=-1.2) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -2.52 K(o=-3.3,f=-8.1!) USER MOD Set 2.2: A 13 MET CE :methyl -166:sc= -0.779 (180deg=-1.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 10:sc= 0.229 USER MOD Single : A 6 SER OG : rot 12:sc= 0.0546 USER MOD Single : A 9 TYR OH : rot 31:sc= 0.00288 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.941 F(o=-2.7!,f=-0.94) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.654 K(o=-0.65,f=-2!) USER MOD Single : A 20 THR OG1 : rot 115:sc= 1.11 USER MOD Single : A 23 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 124:sc= 1.18 USER MOD Single : A 36 SER OG : rot 170:sc= -0.0803 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00231 USER MOD Single : A 39 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 49 SER OG : rot -74:sc= 0.372 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -61:sc= 0.573 USER MOD Single : A 63 THR OG1 : rot -151:sc= 0.0225 USER MOD Single : A 66 LYS NZ :NH3+ -139:sc=-0.000234 (180deg=-0.0887) USER MOD Single : A 68 MET CE :methyl 157:sc= -0.168 (180deg=-0.172) USER MOD Single : A 69 CYS SG : rot -50:sc= 0.086 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -149:sc= 0.546 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.599 F(o=-1.9,f=-0.6) USER MOD Single : A 93 LYS NZ :NH3+ -124:sc= 0.199 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= -0.554 (180deg=-2.13!) USER MOD Single : A 95 THR OG1 : rot -75:sc= 1.08 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.7!) USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.0877) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1.5!) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 GLN : amide:sc= -8.21! C(o=-8.2!,f=-14!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.355 -18.055 -19.016 1.00 0.00 N ATOM 2 CA GLY A 1 14.070 -18.008 -18.343 1.00 0.00 C ATOM 3 C GLY A 1 13.401 -16.653 -18.463 1.00 0.00 C ATOM 4 O GLY A 1 13.075 -16.210 -19.565 1.00 0.00 O ATOM 0 H1 GLY A 1 15.771 -19.002 -18.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.225 -17.851 -20.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.991 -17.346 -18.599 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.415 -18.771 -18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.206 -18.250 -17.289 1.00 0.00 H new ATOM 8 N SER A 2 13.197 -15.992 -17.328 1.00 0.00 N ATOM 9 CA SER A 2 12.557 -14.682 -17.311 1.00 0.00 C ATOM 10 C SER A 2 13.247 -13.728 -18.280 1.00 0.00 C ATOM 11 O SER A 2 14.442 -13.854 -18.548 1.00 0.00 O ATOM 12 CB SER A 2 12.582 -14.098 -15.897 1.00 0.00 C ATOM 13 OG SER A 2 11.828 -14.897 -15.002 1.00 0.00 O ATOM 0 H SER A 2 13.466 -16.342 -16.408 1.00 0.00 H new ATOM 0 HA SER A 2 11.521 -14.806 -17.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.612 -14.028 -15.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.180 -13.085 -15.911 1.00 0.00 H new ATOM 0 HG SER A 2 11.861 -14.504 -14.105 1.00 0.00 H new ATOM 19 N SER A 3 12.486 -12.773 -18.804 1.00 0.00 N ATOM 20 CA SER A 3 13.022 -11.798 -19.746 1.00 0.00 C ATOM 21 C SER A 3 12.966 -10.390 -19.163 1.00 0.00 C ATOM 22 O SER A 3 13.596 -9.466 -19.678 1.00 0.00 O ATOM 23 CB SER A 3 12.244 -11.848 -21.062 1.00 0.00 C ATOM 24 OG SER A 3 10.868 -11.578 -20.852 1.00 0.00 O ATOM 0 H SER A 3 11.495 -12.654 -18.592 1.00 0.00 H new ATOM 0 HA SER A 3 14.065 -12.051 -19.938 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.658 -11.121 -21.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.359 -12.831 -21.519 1.00 0.00 H new ATOM 0 HG SER A 3 10.393 -11.614 -21.708 1.00 0.00 H new ATOM 30 N GLY A 4 12.206 -10.233 -18.083 1.00 0.00 N ATOM 31 CA GLY A 4 12.081 -8.935 -17.446 1.00 0.00 C ATOM 32 C GLY A 4 10.643 -8.460 -17.375 1.00 0.00 C ATOM 33 O GLY A 4 10.244 -7.556 -18.109 1.00 0.00 O ATOM 0 H GLY A 4 11.675 -10.982 -17.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.493 -8.987 -16.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.675 -8.205 -17.996 1.00 0.00 H new ATOM 37 N SER A 5 9.863 -9.072 -16.490 1.00 0.00 N ATOM 38 CA SER A 5 8.460 -8.709 -16.329 1.00 0.00 C ATOM 39 C SER A 5 8.002 -8.933 -14.891 1.00 0.00 C ATOM 40 O SER A 5 8.022 -10.056 -14.388 1.00 0.00 O ATOM 41 CB SER A 5 7.588 -9.526 -17.286 1.00 0.00 C ATOM 42 OG SER A 5 7.690 -9.036 -18.611 1.00 0.00 O ATOM 0 H SER A 5 10.179 -9.821 -15.874 1.00 0.00 H new ATOM 0 HA SER A 5 8.355 -7.650 -16.565 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.892 -10.572 -17.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.549 -9.487 -16.959 1.00 0.00 H new ATOM 0 HG SER A 5 8.413 -8.376 -18.661 1.00 0.00 H new ATOM 48 N SER A 6 7.589 -7.854 -14.234 1.00 0.00 N ATOM 49 CA SER A 6 7.129 -7.930 -12.853 1.00 0.00 C ATOM 50 C SER A 6 5.962 -6.976 -12.615 1.00 0.00 C ATOM 51 O SER A 6 5.714 -6.071 -13.410 1.00 0.00 O ATOM 52 CB SER A 6 8.275 -7.601 -11.892 1.00 0.00 C ATOM 53 OG SER A 6 9.146 -8.709 -11.742 1.00 0.00 O ATOM 0 H SER A 6 7.564 -6.917 -14.636 1.00 0.00 H new ATOM 0 HA SER A 6 6.788 -8.948 -12.666 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.833 -6.743 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.870 -7.318 -10.920 1.00 0.00 H new ATOM 0 HG SER A 6 8.939 -9.383 -12.423 1.00 0.00 H new ATOM 59 N GLY A 7 5.249 -7.187 -11.513 1.00 0.00 N ATOM 60 CA GLY A 7 4.116 -6.338 -11.189 1.00 0.00 C ATOM 61 C GLY A 7 4.309 -5.585 -9.888 1.00 0.00 C ATOM 62 O GLY A 7 5.426 -5.487 -9.380 1.00 0.00 O ATOM 0 H GLY A 7 5.435 -7.930 -10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.957 -5.625 -11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.216 -6.949 -11.122 1.00 0.00 H new ATOM 66 N TRP A 8 3.220 -5.052 -9.348 1.00 0.00 N ATOM 67 CA TRP A 8 3.275 -4.301 -8.098 1.00 0.00 C ATOM 68 C TRP A 8 3.889 -5.143 -6.985 1.00 0.00 C ATOM 69 O TRP A 8 4.245 -4.624 -5.926 1.00 0.00 O ATOM 70 CB TRP A 8 1.874 -3.842 -7.693 1.00 0.00 C ATOM 71 CG TRP A 8 0.790 -4.777 -8.136 1.00 0.00 C ATOM 72 CD1 TRP A 8 -0.060 -4.605 -9.191 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.440 -6.030 -7.537 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.918 -5.676 -9.283 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.631 -6.563 -8.280 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.929 -6.753 -6.445 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.220 -7.784 -7.965 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.343 -7.964 -6.134 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.721 -8.471 -6.891 1.00 0.00 C ATOM 0 H TRP A 8 2.288 -5.125 -9.755 1.00 0.00 H new ATOM 0 HA TRP A 8 3.905 -3.425 -8.256 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.833 -3.738 -6.609 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.687 -2.855 -8.115 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.059 -3.753 -9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.649 -5.791 -9.985 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.750 -6.372 -5.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.041 -8.176 -8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.712 -8.531 -5.292 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.156 -9.422 -6.622 1.00 0.00 H new ATOM 90 N TYR A 9 4.011 -6.442 -7.230 1.00 0.00 N ATOM 91 CA TYR A 9 4.580 -7.355 -6.247 1.00 0.00 C ATOM 92 C TYR A 9 6.059 -7.057 -6.018 1.00 0.00 C ATOM 93 O TYR A 9 6.878 -7.182 -6.929 1.00 0.00 O ATOM 94 CB TYR A 9 4.407 -8.804 -6.705 1.00 0.00 C ATOM 95 CG TYR A 9 4.420 -9.804 -5.570 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.574 -9.657 -4.478 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.280 -10.896 -5.590 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.584 -10.566 -3.438 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.295 -11.812 -4.555 1.00 0.00 C ATOM 100 CZ TYR A 9 4.446 -11.643 -3.482 1.00 0.00 C ATOM 101 OH TYR A 9 4.459 -12.552 -2.450 1.00 0.00 O ATOM 0 H TYR A 9 3.723 -6.887 -8.102 1.00 0.00 H new ATOM 0 HA TYR A 9 4.048 -7.212 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.466 -8.895 -7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.204 -9.052 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.896 -8.817 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.948 -11.031 -6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.921 -10.435 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.968 -12.656 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 9 3.564 -12.613 -2.056 1.00 0.00 H new ATOM 111 N HIS A 10 6.393 -6.662 -4.793 1.00 0.00 N ATOM 112 CA HIS A 10 7.773 -6.346 -4.442 1.00 0.00 C ATOM 113 C HIS A 10 8.315 -7.342 -3.421 1.00 0.00 C ATOM 114 O HIS A 10 9.126 -6.990 -2.566 1.00 0.00 O ATOM 115 CB HIS A 10 7.867 -4.925 -3.885 1.00 0.00 C ATOM 116 CG HIS A 10 8.100 -3.884 -4.936 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.301 -3.223 -5.089 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.277 -3.392 -5.892 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.206 -2.369 -6.092 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.988 -2.452 -6.597 1.00 0.00 N ATOM 0 H HIS A 10 5.727 -6.553 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 10 8.377 -6.414 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.946 -4.691 -3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.677 -4.882 -3.157 1.00 0.00 H new ATOM 0 HD1 HIS A 10 10.132 -3.371 -4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.252 -3.684 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.991 -1.714 -6.440 1.00 0.00 H new ATOM 129 N GLY A 11 7.861 -8.587 -3.518 1.00 0.00 N ATOM 130 CA GLY A 11 8.311 -9.615 -2.596 1.00 0.00 C ATOM 131 C GLY A 11 8.422 -9.108 -1.172 1.00 0.00 C ATOM 132 O GLY A 11 7.427 -9.045 -0.448 1.00 0.00 O ATOM 0 H GLY A 11 7.190 -8.903 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.617 -10.455 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.281 -9.991 -2.921 1.00 0.00 H new ATOM 136 N HIS A 12 9.635 -8.746 -0.767 1.00 0.00 N ATOM 137 CA HIS A 12 9.872 -8.243 0.582 1.00 0.00 C ATOM 138 C HIS A 12 10.273 -6.772 0.550 1.00 0.00 C ATOM 139 O HIS A 12 11.002 -6.336 -0.340 1.00 0.00 O ATOM 140 CB HIS A 12 10.961 -9.066 1.271 1.00 0.00 C ATOM 141 CG HIS A 12 11.415 -8.484 2.575 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.015 -7.303 2.856 1.00 0.00 N flip ATOM 143 CD2 HIS A 12 11.273 -9.136 3.781 1.00 0.00 C flip ATOM 144 CE1 HIS A 12 12.220 -7.265 4.213 1.00 0.00 C flip ATOM 145 NE2 HIS A 12 11.764 -8.382 4.748 1.00 0.00 N flip ATOM 0 H HIS A 12 10.469 -8.791 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 12 8.944 -8.336 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.588 -10.076 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.818 -9.152 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.829 -10.112 3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.680 -6.452 4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 12 11.787 -8.622 5.739 1.00 0.00 H new ATOM 154 N MET A 13 9.789 -6.010 1.526 1.00 0.00 N ATOM 155 CA MET A 13 10.097 -4.588 1.609 1.00 0.00 C ATOM 156 C MET A 13 9.575 -3.993 2.914 1.00 0.00 C ATOM 157 O MET A 13 8.460 -4.291 3.340 1.00 0.00 O ATOM 158 CB MET A 13 9.493 -3.843 0.418 1.00 0.00 C ATOM 159 CG MET A 13 9.742 -2.343 0.449 1.00 0.00 C ATOM 160 SD MET A 13 8.741 -1.447 -0.754 1.00 0.00 S ATOM 161 CE MET A 13 9.648 -1.779 -2.262 1.00 0.00 C ATOM 0 H MET A 13 9.182 -6.354 2.270 1.00 0.00 H new ATOM 0 HA MET A 13 11.181 -4.475 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.906 -4.253 -0.504 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.418 -4.024 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.528 -1.964 1.448 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.797 -2.150 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.309 -1.103 -3.047 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.713 -1.627 -2.087 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.475 -2.810 -2.571 1.00 0.00 H new ATOM 171 N SER A 14 10.389 -3.152 3.544 1.00 0.00 N ATOM 172 CA SER A 14 10.011 -2.519 4.802 1.00 0.00 C ATOM 173 C SER A 14 9.443 -1.124 4.559 1.00 0.00 C ATOM 174 O SER A 14 9.806 -0.454 3.594 1.00 0.00 O ATOM 175 CB SER A 14 11.218 -2.436 5.738 1.00 0.00 C ATOM 176 OG SER A 14 12.252 -1.653 5.169 1.00 0.00 O ATOM 0 H SER A 14 11.315 -2.893 3.204 1.00 0.00 H new ATOM 0 HA SER A 14 9.239 -3.129 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.914 -2.004 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.590 -3.439 5.946 1.00 0.00 H new ATOM 0 HG SER A 14 13.011 -1.614 5.788 1.00 0.00 H new ATOM 182 N GLY A 15 8.550 -0.694 5.445 1.00 0.00 N ATOM 183 CA GLY A 15 7.945 0.619 5.309 1.00 0.00 C ATOM 184 C GLY A 15 8.954 1.686 4.935 1.00 0.00 C ATOM 185 O GLY A 15 8.655 2.585 4.151 1.00 0.00 O ATOM 0 H GLY A 15 8.235 -1.230 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.164 0.579 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.463 0.892 6.247 1.00 0.00 H new ATOM 189 N GLY A 16 10.155 1.588 5.497 1.00 0.00 N ATOM 190 CA GLY A 16 11.193 2.559 5.207 1.00 0.00 C ATOM 191 C GLY A 16 11.563 2.590 3.737 1.00 0.00 C ATOM 192 O GLY A 16 11.841 3.653 3.184 1.00 0.00 O ATOM 0 H GLY A 16 10.427 0.852 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.856 3.549 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.079 2.326 5.797 1.00 0.00 H new ATOM 196 N GLN A 17 11.569 1.421 3.106 1.00 0.00 N ATOM 197 CA GLN A 17 11.910 1.318 1.692 1.00 0.00 C ATOM 198 C GLN A 17 10.750 1.783 0.817 1.00 0.00 C ATOM 199 O GLN A 17 10.957 2.353 -0.254 1.00 0.00 O ATOM 200 CB GLN A 17 12.286 -0.122 1.340 1.00 0.00 C ATOM 201 CG GLN A 17 12.675 -0.309 -0.118 1.00 0.00 C ATOM 202 CD GLN A 17 13.549 -1.529 -0.336 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.082 -2.104 0.614 1.00 0.00 O ATOM 204 NE2 GLN A 17 13.701 -1.932 -1.593 1.00 0.00 N ATOM 0 H GLN A 17 11.342 0.532 3.551 1.00 0.00 H new ATOM 0 HA GLN A 17 12.766 1.966 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.116 -0.437 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.444 -0.775 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.772 -0.400 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.203 0.579 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.241 -1.426 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.278 -2.747 -1.801 1.00 0.00 H new ATOM 213 N ALA A 18 9.530 1.533 1.279 1.00 0.00 N ATOM 214 CA ALA A 18 8.337 1.926 0.539 1.00 0.00 C ATOM 215 C ALA A 18 8.159 3.441 0.551 1.00 0.00 C ATOM 216 O ALA A 18 8.246 4.092 -0.490 1.00 0.00 O ATOM 217 CB ALA A 18 7.107 1.244 1.119 1.00 0.00 C ATOM 0 H ALA A 18 9.341 1.060 2.163 1.00 0.00 H new ATOM 0 HA ALA A 18 8.460 1.608 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.224 1.547 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.226 0.162 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.989 1.533 2.163 1.00 0.00 H new ATOM 223 N GLU A 19 7.910 3.995 1.733 1.00 0.00 N ATOM 224 CA GLU A 19 7.718 5.432 1.877 1.00 0.00 C ATOM 225 C GLU A 19 8.801 6.203 1.129 1.00 0.00 C ATOM 226 O GLU A 19 8.534 7.241 0.521 1.00 0.00 O ATOM 227 CB GLU A 19 7.728 5.825 3.356 1.00 0.00 C ATOM 228 CG GLU A 19 6.358 5.763 4.012 1.00 0.00 C ATOM 229 CD GLU A 19 6.282 6.584 5.284 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.131 7.820 5.185 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.374 5.991 6.379 1.00 0.00 O ATOM 0 H GLU A 19 7.837 3.470 2.604 1.00 0.00 H new ATOM 0 HA GLU A 19 6.750 5.688 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.409 5.166 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.122 6.837 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.606 6.120 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.115 4.725 4.239 1.00 0.00 H new ATOM 238 N THR A 20 10.026 5.690 1.177 1.00 0.00 N ATOM 239 CA THR A 20 11.150 6.329 0.506 1.00 0.00 C ATOM 240 C THR A 20 11.036 6.195 -1.008 1.00 0.00 C ATOM 241 O THR A 20 10.989 7.193 -1.729 1.00 0.00 O ATOM 242 CB THR A 20 12.493 5.728 0.963 1.00 0.00 C ATOM 243 OG1 THR A 20 12.648 5.894 2.377 1.00 0.00 O ATOM 244 CG2 THR A 20 13.657 6.391 0.240 1.00 0.00 C ATOM 0 H THR A 20 10.265 4.832 1.675 1.00 0.00 H new ATOM 0 HA THR A 20 11.121 7.384 0.778 1.00 0.00 H new ATOM 0 HB THR A 20 12.492 4.666 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.660 5.015 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.594 5.950 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.552 6.239 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.659 7.459 0.457 1.00 0.00 H new ATOM 252 N LEU A 21 10.990 4.956 -1.486 1.00 0.00 N ATOM 253 CA LEU A 21 10.879 4.691 -2.916 1.00 0.00 C ATOM 254 C LEU A 21 9.689 5.434 -3.517 1.00 0.00 C ATOM 255 O LEU A 21 9.845 6.232 -4.441 1.00 0.00 O ATOM 256 CB LEU A 21 10.737 3.189 -3.167 1.00 0.00 C ATOM 257 CG LEU A 21 12.007 2.356 -2.986 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.672 0.872 -2.961 1.00 0.00 C ATOM 259 CD2 LEU A 21 13.006 2.660 -4.092 1.00 0.00 C ATOM 0 H LEU A 21 11.028 4.119 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 21 11.788 5.049 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.972 2.799 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.373 3.044 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 21 12.460 2.622 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.587 0.295 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.993 0.666 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.195 0.591 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.903 2.058 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.562 2.422 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.270 3.717 -4.064 1.00 0.00 H new ATOM 271 N LEU A 22 8.503 5.166 -2.985 1.00 0.00 N ATOM 272 CA LEU A 22 7.286 5.811 -3.467 1.00 0.00 C ATOM 273 C LEU A 22 7.504 7.306 -3.667 1.00 0.00 C ATOM 274 O LEU A 22 7.366 7.820 -4.777 1.00 0.00 O ATOM 275 CB LEU A 22 6.137 5.579 -2.483 1.00 0.00 C ATOM 276 CG LEU A 22 5.375 4.262 -2.639 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.512 3.996 -1.415 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.523 4.285 -3.899 1.00 0.00 C ATOM 0 H LEU A 22 8.357 4.507 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 22 7.027 5.368 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.537 5.626 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.427 6.400 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 22 6.100 3.454 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.977 3.055 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.145 3.935 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.794 4.807 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.988 3.340 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.806 5.104 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.164 4.428 -4.769 1.00 0.00 H new ATOM 290 N GLN A 23 7.848 7.999 -2.585 1.00 0.00 N ATOM 291 CA GLN A 23 8.087 9.436 -2.644 1.00 0.00 C ATOM 292 C GLN A 23 9.159 9.768 -3.678 1.00 0.00 C ATOM 293 O GLN A 23 9.138 10.839 -4.285 1.00 0.00 O ATOM 294 CB GLN A 23 8.508 9.961 -1.270 1.00 0.00 C ATOM 295 CG GLN A 23 7.414 9.860 -0.219 1.00 0.00 C ATOM 296 CD GLN A 23 7.923 10.132 1.183 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.075 9.842 1.504 1.00 0.00 O ATOM 298 NE2 GLN A 23 7.065 10.694 2.026 1.00 0.00 N ATOM 0 H GLN A 23 7.967 7.589 -1.659 1.00 0.00 H new ATOM 0 HA GLN A 23 7.158 9.921 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.381 9.404 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.813 11.003 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.621 10.569 -0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.973 8.864 -0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.119 10.918 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.352 10.902 2.982 1.00 0.00 H new ATOM 307 N ALA A 24 10.093 8.844 -3.872 1.00 0.00 N ATOM 308 CA ALA A 24 11.171 9.038 -4.833 1.00 0.00 C ATOM 309 C ALA A 24 10.626 9.160 -6.253 1.00 0.00 C ATOM 310 O ALA A 24 10.983 10.081 -6.988 1.00 0.00 O ATOM 311 CB ALA A 24 12.169 7.892 -4.747 1.00 0.00 C ATOM 0 H ALA A 24 10.125 7.953 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 24 11.681 9.969 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.969 8.051 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.591 7.852 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.663 6.952 -4.966 1.00 0.00 H new ATOM 317 N LYS A 25 9.760 8.227 -6.632 1.00 0.00 N ATOM 318 CA LYS A 25 9.165 8.230 -7.962 1.00 0.00 C ATOM 319 C LYS A 25 8.449 9.549 -8.235 1.00 0.00 C ATOM 320 O LYS A 25 8.611 10.147 -9.298 1.00 0.00 O ATOM 321 CB LYS A 25 8.182 7.066 -8.107 1.00 0.00 C ATOM 322 CG LYS A 25 7.739 6.818 -9.537 1.00 0.00 C ATOM 323 CD LYS A 25 8.719 5.924 -10.279 1.00 0.00 C ATOM 324 CE LYS A 25 8.287 5.699 -11.721 1.00 0.00 C ATOM 325 NZ LYS A 25 9.229 4.805 -12.448 1.00 0.00 N ATOM 0 H LYS A 25 9.454 7.458 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 25 9.967 8.114 -8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.645 6.160 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.304 7.265 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.752 6.356 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.646 7.770 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.711 6.376 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.797 4.965 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.288 5.264 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.226 6.658 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.900 4.676 -13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.177 5.232 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.268 3.881 -11.972 1.00 0.00 H new ATOM 339 N GLY A 26 7.657 9.999 -7.267 1.00 0.00 N ATOM 340 CA GLY A 26 6.930 11.246 -7.422 1.00 0.00 C ATOM 341 C GLY A 26 5.647 11.074 -8.211 1.00 0.00 C ATOM 342 O GLY A 26 5.149 12.025 -8.812 1.00 0.00 O ATOM 0 H GLY A 26 7.506 9.522 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.696 11.652 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.567 11.974 -7.924 1.00 0.00 H new ATOM 346 N GLU A 27 5.112 9.857 -8.211 1.00 0.00 N ATOM 347 CA GLU A 27 3.881 9.565 -8.936 1.00 0.00 C ATOM 348 C GLU A 27 2.723 9.332 -7.970 1.00 0.00 C ATOM 349 O GLU A 27 2.746 8.422 -7.141 1.00 0.00 O ATOM 350 CB GLU A 27 4.068 8.336 -9.829 1.00 0.00 C ATOM 351 CG GLU A 27 4.796 8.634 -11.129 1.00 0.00 C ATOM 352 CD GLU A 27 4.839 7.438 -12.060 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.999 6.304 -11.562 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.714 7.637 -13.287 1.00 0.00 O ATOM 0 H GLU A 27 5.511 9.058 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 27 3.644 10.427 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.623 7.577 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.090 7.912 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.305 9.466 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.814 8.953 -10.906 1.00 0.00 H new ATOM 361 N PRO A 28 1.686 10.176 -8.076 1.00 0.00 N ATOM 362 CA PRO A 28 0.499 10.084 -7.220 1.00 0.00 C ATOM 363 C PRO A 28 -0.345 8.852 -7.530 1.00 0.00 C ATOM 364 O PRO A 28 -0.397 8.397 -8.672 1.00 0.00 O ATOM 365 CB PRO A 28 -0.277 11.361 -7.551 1.00 0.00 C ATOM 366 CG PRO A 28 0.157 11.721 -8.931 1.00 0.00 C ATOM 367 CD PRO A 28 1.591 11.285 -9.041 1.00 0.00 C ATOM 0 HA PRO A 28 0.762 9.990 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.353 11.193 -7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.048 12.158 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.461 11.222 -9.677 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.061 12.793 -9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.836 10.960 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.277 12.094 -8.792 1.00 0.00 H new ATOM 375 N TRP A 29 -1.003 8.320 -6.507 1.00 0.00 N ATOM 376 CA TRP A 29 -1.845 7.141 -6.671 1.00 0.00 C ATOM 377 C TRP A 29 -1.007 5.918 -7.026 1.00 0.00 C ATOM 378 O TRP A 29 -1.441 5.054 -7.788 1.00 0.00 O ATOM 379 CB TRP A 29 -2.896 7.387 -7.754 1.00 0.00 C ATOM 380 CG TRP A 29 -3.720 8.615 -7.516 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.957 9.628 -8.403 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.411 8.964 -6.312 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.755 10.584 -7.822 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.048 10.200 -6.539 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.556 8.352 -5.065 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.817 10.832 -5.566 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.318 8.980 -4.098 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.941 10.209 -4.353 1.00 0.00 C ATOM 0 H TRP A 29 -0.970 8.686 -5.555 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.348 6.950 -5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.398 7.474 -8.720 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.556 6.521 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.574 9.671 -9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.077 11.441 -8.272 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.081 7.404 -4.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.298 11.779 -5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.435 8.516 -3.130 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.531 10.674 -3.577 1.00 0.00 H new ATOM 399 N THR A 30 0.198 5.850 -6.469 1.00 0.00 N ATOM 400 CA THR A 30 1.098 4.733 -6.728 1.00 0.00 C ATOM 401 C THR A 30 1.079 3.734 -5.578 1.00 0.00 C ATOM 402 O THR A 30 1.500 4.044 -4.464 1.00 0.00 O ATOM 403 CB THR A 30 2.545 5.216 -6.950 1.00 0.00 C ATOM 404 OG1 THR A 30 2.604 6.075 -8.093 1.00 0.00 O ATOM 405 CG2 THR A 30 3.485 4.036 -7.145 1.00 0.00 C ATOM 0 H THR A 30 0.573 6.556 -5.835 1.00 0.00 H new ATOM 0 HA THR A 30 0.743 4.245 -7.636 1.00 0.00 H new ATOM 0 HB THR A 30 2.861 5.768 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.987 6.939 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.500 4.401 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.459 3.400 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.170 3.460 -8.015 1.00 0.00 H new ATOM 413 N PHE A 31 0.587 2.530 -5.854 1.00 0.00 N ATOM 414 CA PHE A 31 0.513 1.483 -4.841 1.00 0.00 C ATOM 415 C PHE A 31 1.560 0.403 -5.098 1.00 0.00 C ATOM 416 O PHE A 31 1.982 0.189 -6.235 1.00 0.00 O ATOM 417 CB PHE A 31 -0.884 0.861 -4.823 1.00 0.00 C ATOM 418 CG PHE A 31 -1.088 -0.188 -5.879 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.169 0.164 -7.217 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.199 -1.525 -5.534 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.355 -0.797 -8.192 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.385 -2.491 -6.505 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.465 -2.127 -7.835 1.00 0.00 C ATOM 0 H PHE A 31 0.234 2.255 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 31 0.715 1.936 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.063 0.418 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.625 1.649 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.086 1.203 -7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.140 -1.816 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.414 -0.509 -9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.468 -3.530 -6.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.613 -2.881 -8.594 1.00 0.00 H new ATOM 433 N LEU A 32 1.975 -0.274 -4.032 1.00 0.00 N ATOM 434 CA LEU A 32 2.974 -1.332 -4.141 1.00 0.00 C ATOM 435 C LEU A 32 2.759 -2.395 -3.067 1.00 0.00 C ATOM 436 O LEU A 32 2.590 -2.076 -1.889 1.00 0.00 O ATOM 437 CB LEU A 32 4.381 -0.747 -4.021 1.00 0.00 C ATOM 438 CG LEU A 32 4.957 -0.665 -2.606 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.601 -1.985 -2.216 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.961 0.473 -2.505 1.00 0.00 C ATOM 0 H LEU A 32 1.636 -0.109 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 32 2.866 -1.801 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.055 -1.347 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.373 0.256 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 32 4.141 -0.464 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.005 -1.908 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.854 -2.778 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.406 -2.217 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.361 0.517 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.775 0.303 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.467 1.416 -2.741 1.00 0.00 H new ATOM 452 N VAL A 33 2.770 -3.658 -3.480 1.00 0.00 N ATOM 453 CA VAL A 33 2.581 -4.767 -2.554 1.00 0.00 C ATOM 454 C VAL A 33 3.918 -5.304 -2.059 1.00 0.00 C ATOM 455 O VAL A 33 4.867 -5.443 -2.831 1.00 0.00 O ATOM 456 CB VAL A 33 1.788 -5.915 -3.208 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.421 -6.968 -2.173 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.544 -5.378 -3.898 1.00 0.00 C ATOM 0 H VAL A 33 2.908 -3.939 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 33 2.014 -4.380 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 33 2.419 -6.385 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.861 -7.771 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.330 -7.374 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.808 -6.514 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.004 -6.203 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.092 -4.881 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.835 -4.665 -4.669 1.00 0.00 H new ATOM 468 N ARG A 34 3.987 -5.606 -0.766 1.00 0.00 N ATOM 469 CA ARG A 34 5.209 -6.128 -0.167 1.00 0.00 C ATOM 470 C ARG A 34 4.890 -7.043 1.010 1.00 0.00 C ATOM 471 O ARG A 34 3.811 -6.962 1.597 1.00 0.00 O ATOM 472 CB ARG A 34 6.107 -4.978 0.295 1.00 0.00 C ATOM 473 CG ARG A 34 5.392 -3.961 1.170 1.00 0.00 C ATOM 474 CD ARG A 34 6.288 -2.774 1.490 1.00 0.00 C ATOM 475 NE ARG A 34 5.629 -1.814 2.371 1.00 0.00 N ATOM 476 CZ ARG A 34 5.599 -1.931 3.694 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.187 -2.961 4.285 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.980 -1.016 4.428 1.00 0.00 N ATOM 0 H ARG A 34 3.210 -5.498 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 34 5.735 -6.710 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.953 -5.388 0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.512 -4.471 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.492 -3.613 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.072 -4.437 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.205 -3.128 1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.577 -2.277 0.564 1.00 0.00 H new ATOM 0 HE ARG A 34 5.166 -1.010 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.664 -3.667 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.162 -3.048 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.526 -0.222 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.958 -1.107 5.444 1.00 0.00 H new ATOM 492 N GLU A 35 5.835 -7.914 1.350 1.00 0.00 N ATOM 493 CA GLU A 35 5.652 -8.847 2.457 1.00 0.00 C ATOM 494 C GLU A 35 5.816 -8.136 3.798 1.00 0.00 C ATOM 495 O GLU A 35 6.645 -7.238 3.940 1.00 0.00 O ATOM 496 CB GLU A 35 6.653 -9.999 2.352 1.00 0.00 C ATOM 497 CG GLU A 35 6.146 -11.172 1.531 1.00 0.00 C ATOM 498 CD GLU A 35 6.981 -12.424 1.724 1.00 0.00 C ATOM 499 OE1 GLU A 35 7.702 -12.504 2.740 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.913 -13.321 0.860 1.00 0.00 O ATOM 0 H GLU A 35 6.734 -7.993 0.876 1.00 0.00 H new ATOM 0 HA GLU A 35 4.640 -9.248 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.576 -9.628 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.899 -10.348 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.113 -11.383 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.146 -10.899 0.476 1.00 0.00 H new ATOM 507 N SER A 36 5.018 -8.547 4.779 1.00 0.00 N ATOM 508 CA SER A 36 5.070 -7.948 6.108 1.00 0.00 C ATOM 509 C SER A 36 6.415 -8.222 6.775 1.00 0.00 C ATOM 510 O SER A 36 7.288 -8.868 6.194 1.00 0.00 O ATOM 511 CB SER A 36 3.935 -8.489 6.979 1.00 0.00 C ATOM 512 OG SER A 36 2.721 -7.809 6.716 1.00 0.00 O ATOM 0 H SER A 36 4.328 -9.292 4.679 1.00 0.00 H new ATOM 0 HA SER A 36 4.952 -6.870 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.806 -9.555 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.196 -8.379 8.032 1.00 0.00 H new ATOM 0 HG SER A 36 1.982 -8.274 7.161 1.00 0.00 H new ATOM 518 N LEU A 37 6.573 -7.727 7.997 1.00 0.00 N ATOM 519 CA LEU A 37 7.811 -7.917 8.745 1.00 0.00 C ATOM 520 C LEU A 37 7.545 -8.636 10.063 1.00 0.00 C ATOM 521 O LEU A 37 8.210 -9.620 10.390 1.00 0.00 O ATOM 522 CB LEU A 37 8.481 -6.568 9.013 1.00 0.00 C ATOM 523 CG LEU A 37 9.423 -6.058 7.922 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.580 -7.026 7.721 1.00 0.00 C ATOM 525 CD2 LEU A 37 8.667 -5.850 6.618 1.00 0.00 C ATOM 0 H LEU A 37 5.860 -7.191 8.491 1.00 0.00 H new ATOM 0 HA LEU A 37 8.479 -8.534 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.701 -5.822 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.043 -6.642 9.944 1.00 0.00 H new ATOM 0 HG LEU A 37 9.830 -5.098 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.240 -6.647 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.138 -7.125 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.192 -8.001 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.354 -5.487 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.231 -6.796 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.874 -5.118 6.770 1.00 0.00 H new ATOM 537 N SER A 38 6.567 -8.141 10.816 1.00 0.00 N ATOM 538 CA SER A 38 6.214 -8.735 12.099 1.00 0.00 C ATOM 539 C SER A 38 5.010 -9.662 11.956 1.00 0.00 C ATOM 540 O SER A 38 4.960 -10.729 12.566 1.00 0.00 O ATOM 541 CB SER A 38 5.911 -7.643 13.126 1.00 0.00 C ATOM 542 OG SER A 38 4.753 -6.910 12.764 1.00 0.00 O ATOM 0 H SER A 38 6.005 -7.329 10.559 1.00 0.00 H new ATOM 0 HA SER A 38 7.065 -9.322 12.445 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.768 -8.093 14.109 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.763 -6.968 13.205 1.00 0.00 H new ATOM 0 HG SER A 38 4.579 -6.219 13.437 1.00 0.00 H new ATOM 548 N GLN A 39 4.044 -9.245 11.145 1.00 0.00 N ATOM 549 CA GLN A 39 2.840 -10.036 10.921 1.00 0.00 C ATOM 550 C GLN A 39 3.156 -11.293 10.118 1.00 0.00 C ATOM 551 O GLN A 39 3.718 -11.235 9.024 1.00 0.00 O ATOM 552 CB GLN A 39 1.784 -9.203 10.192 1.00 0.00 C ATOM 553 CG GLN A 39 1.205 -8.079 11.037 1.00 0.00 C ATOM 554 CD GLN A 39 0.194 -8.574 12.052 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.536 -9.300 12.985 1.00 0.00 O ATOM 556 NE2 GLN A 39 -1.062 -8.181 11.875 1.00 0.00 N ATOM 0 H GLN A 39 4.071 -8.364 10.632 1.00 0.00 H new ATOM 0 HA GLN A 39 2.448 -10.336 11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.227 -8.778 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.975 -9.858 9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.014 -7.566 11.556 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.730 -7.346 10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.302 -7.579 11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.787 -8.481 12.527 1.00 0.00 H new ATOM 565 N PRO A 40 2.787 -12.458 10.671 1.00 0.00 N ATOM 566 CA PRO A 40 3.021 -13.752 10.023 1.00 0.00 C ATOM 567 C PRO A 40 2.146 -13.949 8.789 1.00 0.00 C ATOM 568 O PRO A 40 0.993 -13.522 8.759 1.00 0.00 O ATOM 569 CB PRO A 40 2.649 -14.765 11.109 1.00 0.00 C ATOM 570 CG PRO A 40 1.686 -14.044 11.986 1.00 0.00 C ATOM 571 CD PRO A 40 2.113 -12.602 11.972 1.00 0.00 C ATOM 0 HA PRO A 40 4.046 -13.848 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.199 -15.660 10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.528 -15.087 11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.666 -14.153 11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.704 -14.446 12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.260 -11.929 12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.784 -12.374 12.800 1.00 0.00 H new ATOM 579 N GLY A 41 2.704 -14.599 7.772 1.00 0.00 N ATOM 580 CA GLY A 41 1.960 -14.842 6.550 1.00 0.00 C ATOM 581 C GLY A 41 1.005 -13.711 6.218 1.00 0.00 C ATOM 582 O GLY A 41 -0.201 -13.923 6.100 1.00 0.00 O ATOM 0 H GLY A 41 3.657 -14.961 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.658 -14.978 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.398 -15.771 6.649 1.00 0.00 H new ATOM 586 N ASP A 42 1.547 -12.507 6.069 1.00 0.00 N ATOM 587 CA ASP A 42 0.734 -11.339 5.749 1.00 0.00 C ATOM 588 C ASP A 42 1.475 -10.407 4.794 1.00 0.00 C ATOM 589 O ASP A 42 2.623 -10.662 4.427 1.00 0.00 O ATOM 590 CB ASP A 42 0.361 -10.586 7.027 1.00 0.00 C ATOM 591 CG ASP A 42 -0.925 -11.099 7.646 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.116 -12.332 7.680 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.742 -10.266 8.095 1.00 0.00 O ATOM 0 H ASP A 42 2.544 -12.314 6.164 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.177 -11.684 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.171 -10.679 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.255 -9.525 6.802 1.00 0.00 H new ATOM 598 N PHE A 43 0.810 -9.329 4.393 1.00 0.00 N ATOM 599 CA PHE A 43 1.404 -8.361 3.479 1.00 0.00 C ATOM 600 C PHE A 43 0.989 -6.939 3.847 1.00 0.00 C ATOM 601 O PHE A 43 -0.001 -6.732 4.549 1.00 0.00 O ATOM 602 CB PHE A 43 0.989 -8.667 2.038 1.00 0.00 C ATOM 603 CG PHE A 43 1.389 -10.040 1.579 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.674 -11.156 1.984 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.480 -10.215 0.743 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.039 -12.421 1.562 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.849 -11.477 0.317 1.00 0.00 C ATOM 608 CZ PHE A 43 2.129 -12.581 0.729 1.00 0.00 C ATOM 0 H PHE A 43 -0.141 -9.104 4.687 1.00 0.00 H new ATOM 0 HA PHE A 43 2.488 -8.438 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.092 -8.564 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.435 -7.926 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.178 -11.036 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.049 -9.355 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.473 -13.283 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.699 -11.600 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.418 -13.568 0.400 1.00 0.00 H new ATOM 618 N VAL A 44 1.754 -5.962 3.370 1.00 0.00 N ATOM 619 CA VAL A 44 1.468 -4.561 3.648 1.00 0.00 C ATOM 620 C VAL A 44 1.273 -3.773 2.357 1.00 0.00 C ATOM 621 O VAL A 44 2.125 -3.798 1.468 1.00 0.00 O ATOM 622 CB VAL A 44 2.596 -3.909 4.470 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.243 -2.471 4.815 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.872 -4.716 5.729 1.00 0.00 C ATOM 0 H VAL A 44 2.578 -6.116 2.788 1.00 0.00 H new ATOM 0 HA VAL A 44 0.546 -4.536 4.228 1.00 0.00 H new ATOM 0 HB VAL A 44 3.503 -3.900 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.052 -2.027 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.100 -1.901 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.324 -2.452 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.672 -4.241 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.969 -4.759 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.173 -5.727 5.454 1.00 0.00 H new ATOM 634 N LEU A 45 0.149 -3.073 2.262 1.00 0.00 N ATOM 635 CA LEU A 45 -0.158 -2.276 1.079 1.00 0.00 C ATOM 636 C LEU A 45 0.277 -0.827 1.271 1.00 0.00 C ATOM 637 O LEU A 45 -0.178 -0.149 2.192 1.00 0.00 O ATOM 638 CB LEU A 45 -1.657 -2.334 0.775 1.00 0.00 C ATOM 639 CG LEU A 45 -2.047 -2.203 -0.697 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.747 -0.801 -1.206 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.323 -3.243 -1.537 1.00 0.00 C ATOM 0 H LEU A 45 -0.565 -3.041 2.989 1.00 0.00 H new ATOM 0 HA LEU A 45 0.394 -2.694 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.048 -3.279 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.152 -1.540 1.334 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.119 -2.378 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.031 -0.726 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.313 -0.074 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.681 -0.597 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.614 -3.134 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.246 -3.101 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.589 -4.241 -1.189 1.00 0.00 H new ATOM 653 N SER A 46 1.160 -0.357 0.395 1.00 0.00 N ATOM 654 CA SER A 46 1.657 1.011 0.469 1.00 0.00 C ATOM 655 C SER A 46 1.242 1.808 -0.764 1.00 0.00 C ATOM 656 O SER A 46 1.599 1.462 -1.891 1.00 0.00 O ATOM 657 CB SER A 46 3.182 1.015 0.602 1.00 0.00 C ATOM 658 OG SER A 46 3.591 0.350 1.785 1.00 0.00 O ATOM 0 H SER A 46 1.546 -0.904 -0.374 1.00 0.00 H new ATOM 0 HA SER A 46 1.220 1.483 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.627 0.528 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.547 2.042 0.613 1.00 0.00 H new ATOM 0 HG SER A 46 3.441 0.934 2.557 1.00 0.00 H new ATOM 664 N VAL A 47 0.484 2.877 -0.541 1.00 0.00 N ATOM 665 CA VAL A 47 0.020 3.725 -1.633 1.00 0.00 C ATOM 666 C VAL A 47 0.367 5.187 -1.379 1.00 0.00 C ATOM 667 O VAL A 47 0.197 5.694 -0.270 1.00 0.00 O ATOM 668 CB VAL A 47 -1.501 3.598 -1.834 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.891 4.013 -3.245 1.00 0.00 C ATOM 670 CG2 VAL A 47 -1.960 2.177 -1.543 1.00 0.00 C ATOM 0 H VAL A 47 0.178 3.176 0.385 1.00 0.00 H new ATOM 0 HA VAL A 47 0.528 3.385 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.999 4.268 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.970 3.916 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.598 5.049 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.385 3.371 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.038 2.105 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.455 1.486 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.717 1.920 -0.512 1.00 0.00 H new ATOM 680 N LEU A 48 0.854 5.863 -2.414 1.00 0.00 N ATOM 681 CA LEU A 48 1.226 7.269 -2.304 1.00 0.00 C ATOM 682 C LEU A 48 0.029 8.172 -2.588 1.00 0.00 C ATOM 683 O LEU A 48 -0.588 8.085 -3.648 1.00 0.00 O ATOM 684 CB LEU A 48 2.365 7.593 -3.273 1.00 0.00 C ATOM 685 CG LEU A 48 3.066 8.936 -3.059 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.715 8.985 -1.684 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.101 9.176 -4.148 1.00 0.00 C ATOM 0 H LEU A 48 1.000 5.460 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 48 1.562 7.452 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.111 6.801 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.969 7.570 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 48 2.319 9.728 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.209 9.947 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.951 8.858 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.450 8.185 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.590 10.136 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.846 8.380 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.610 9.184 -5.121 1.00 0.00 H new ATOM 699 N SER A 49 -0.290 9.039 -1.632 1.00 0.00 N ATOM 700 CA SER A 49 -1.413 9.957 -1.779 1.00 0.00 C ATOM 701 C SER A 49 -1.008 11.187 -2.586 1.00 0.00 C ATOM 702 O SER A 49 0.147 11.614 -2.550 1.00 0.00 O ATOM 703 CB SER A 49 -1.932 10.384 -0.404 1.00 0.00 C ATOM 704 OG SER A 49 -0.863 10.684 0.475 1.00 0.00 O ATOM 0 H SER A 49 0.213 9.125 -0.749 1.00 0.00 H new ATOM 0 HA SER A 49 -2.207 9.438 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.575 11.257 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.543 9.588 0.021 1.00 0.00 H new ATOM 0 HG SER A 49 -0.433 9.852 0.764 1.00 0.00 H new ATOM 710 N ASP A 50 -1.967 11.752 -3.312 1.00 0.00 N ATOM 711 CA ASP A 50 -1.711 12.933 -4.128 1.00 0.00 C ATOM 712 C ASP A 50 -1.591 14.180 -3.256 1.00 0.00 C ATOM 713 O ASP A 50 -1.469 15.293 -3.765 1.00 0.00 O ATOM 714 CB ASP A 50 -2.828 13.120 -5.155 1.00 0.00 C ATOM 715 CG ASP A 50 -4.000 13.905 -4.601 1.00 0.00 C ATOM 716 OD1 ASP A 50 -3.855 15.130 -4.405 1.00 0.00 O ATOM 717 OD2 ASP A 50 -5.063 13.295 -4.361 1.00 0.00 O ATOM 0 H ASP A 50 -2.928 11.411 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.767 12.785 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.431 13.635 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.175 12.143 -5.491 1.00 0.00 H new ATOM 722 N GLN A 51 -1.628 13.983 -1.943 1.00 0.00 N ATOM 723 CA GLN A 51 -1.525 15.092 -1.001 1.00 0.00 C ATOM 724 C GLN A 51 -0.179 15.074 -0.285 1.00 0.00 C ATOM 725 O GLN A 51 0.268 14.047 0.225 1.00 0.00 O ATOM 726 CB GLN A 51 -2.661 15.027 0.021 1.00 0.00 C ATOM 727 CG GLN A 51 -4.022 15.376 -0.559 1.00 0.00 C ATOM 728 CD GLN A 51 -5.020 15.789 0.503 1.00 0.00 C ATOM 729 OE1 GLN A 51 -5.258 15.060 1.466 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.613 16.966 0.335 1.00 0.00 N ATOM 0 H GLN A 51 -1.728 13.067 -1.507 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.604 16.023 -1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.702 14.023 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.439 15.709 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.909 16.186 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.412 14.516 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.387 17.540 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.294 17.296 1.019 1.00 0.00 H new ATOM 739 N PRO A 52 0.486 16.239 -0.245 1.00 0.00 N ATOM 740 CA PRO A 52 1.791 16.383 0.407 1.00 0.00 C ATOM 741 C PRO A 52 1.697 16.273 1.924 1.00 0.00 C ATOM 742 O PRO A 52 0.629 16.460 2.506 1.00 0.00 O ATOM 743 CB PRO A 52 2.237 17.790 0.000 1.00 0.00 C ATOM 744 CG PRO A 52 0.970 18.524 -0.277 1.00 0.00 C ATOM 745 CD PRO A 52 0.014 17.504 -0.832 1.00 0.00 C ATOM 0 HA PRO A 52 2.485 15.597 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.807 18.270 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.879 17.763 -0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.574 18.976 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.135 19.333 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.015 17.720 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.043 17.477 -1.921 1.00 0.00 H new ATOM 753 N LYS A 53 2.822 15.967 2.561 1.00 0.00 N ATOM 754 CA LYS A 53 2.868 15.833 4.012 1.00 0.00 C ATOM 755 C LYS A 53 2.930 17.202 4.684 1.00 0.00 C ATOM 756 O LYS A 53 2.404 17.390 5.780 1.00 0.00 O ATOM 757 CB LYS A 53 4.078 14.993 4.430 1.00 0.00 C ATOM 758 CG LYS A 53 5.409 15.601 4.026 1.00 0.00 C ATOM 759 CD LYS A 53 6.575 14.721 4.445 1.00 0.00 C ATOM 760 CE LYS A 53 6.754 14.716 5.955 1.00 0.00 C ATOM 761 NZ LYS A 53 8.013 14.030 6.362 1.00 0.00 N ATOM 0 H LYS A 53 3.715 15.807 2.095 1.00 0.00 H new ATOM 0 HA LYS A 53 1.956 15.331 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.062 14.861 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.992 14.001 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.431 15.745 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.513 16.586 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.408 13.703 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.490 15.076 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.764 15.742 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.903 14.219 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.099 14.048 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.993 13.044 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.827 14.519 5.939 1.00 0.00 H new ATOM 775 N ALA A 54 3.577 18.153 4.019 1.00 0.00 N ATOM 776 CA ALA A 54 3.705 19.505 4.549 1.00 0.00 C ATOM 777 C ALA A 54 3.101 20.529 3.595 1.00 0.00 C ATOM 778 O ALA A 54 2.265 21.341 3.988 1.00 0.00 O ATOM 779 CB ALA A 54 5.166 19.830 4.820 1.00 0.00 C ATOM 0 H ALA A 54 4.021 18.012 3.112 1.00 0.00 H new ATOM 0 HA ALA A 54 3.154 19.554 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.246 20.843 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.567 19.124 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.733 19.757 3.892 1.00 0.00 H new ATOM 785 N GLY A 55 3.531 20.485 2.338 1.00 0.00 N ATOM 786 CA GLY A 55 3.022 21.416 1.347 1.00 0.00 C ATOM 787 C GLY A 55 3.745 21.301 0.020 1.00 0.00 C ATOM 788 O GLY A 55 4.155 20.218 -0.397 1.00 0.00 O ATOM 0 H GLY A 55 4.222 19.822 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.958 21.234 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.121 22.434 1.724 1.00 0.00 H new ATOM 792 N PRO A 56 3.909 22.440 -0.670 1.00 0.00 N ATOM 793 CA PRO A 56 4.587 22.489 -1.969 1.00 0.00 C ATOM 794 C PRO A 56 6.085 22.230 -1.851 1.00 0.00 C ATOM 795 O PRO A 56 6.831 23.067 -1.344 1.00 0.00 O ATOM 796 CB PRO A 56 4.327 23.919 -2.450 1.00 0.00 C ATOM 797 CG PRO A 56 4.111 24.705 -1.203 1.00 0.00 C ATOM 798 CD PRO A 56 3.445 23.768 -0.234 1.00 0.00 C ATOM 0 HA PRO A 56 4.219 21.722 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.172 24.305 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.455 23.965 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.057 25.072 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.486 25.577 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.738 23.978 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.359 23.849 -0.279 1.00 0.00 H new ATOM 806 N GLY A 57 6.518 21.065 -2.323 1.00 0.00 N ATOM 807 CA GLY A 57 7.926 20.717 -2.261 1.00 0.00 C ATOM 808 C GLY A 57 8.191 19.534 -1.353 1.00 0.00 C ATOM 809 O GLY A 57 9.307 19.016 -1.306 1.00 0.00 O ATOM 0 H GLY A 57 5.919 20.356 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.285 20.488 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.494 21.577 -1.907 1.00 0.00 H new ATOM 813 N SER A 58 7.164 19.105 -0.626 1.00 0.00 N ATOM 814 CA SER A 58 7.293 17.979 0.290 1.00 0.00 C ATOM 815 C SER A 58 6.875 16.676 -0.387 1.00 0.00 C ATOM 816 O SER A 58 6.063 16.662 -1.313 1.00 0.00 O ATOM 817 CB SER A 58 6.443 18.212 1.541 1.00 0.00 C ATOM 818 OG SER A 58 5.066 18.029 1.263 1.00 0.00 O ATOM 0 H SER A 58 6.233 19.521 -0.654 1.00 0.00 H new ATOM 0 HA SER A 58 8.340 17.897 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.753 17.525 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.611 19.222 1.915 1.00 0.00 H new ATOM 0 HG SER A 58 4.783 18.670 0.578 1.00 0.00 H new ATOM 824 N PRO A 59 7.442 15.556 0.085 1.00 0.00 N ATOM 825 CA PRO A 59 7.144 14.228 -0.459 1.00 0.00 C ATOM 826 C PRO A 59 5.728 13.770 -0.124 1.00 0.00 C ATOM 827 O PRO A 59 5.328 13.756 1.040 1.00 0.00 O ATOM 828 CB PRO A 59 8.173 13.326 0.225 1.00 0.00 C ATOM 829 CG PRO A 59 8.514 14.032 1.492 1.00 0.00 C ATOM 830 CD PRO A 59 8.417 15.500 1.186 1.00 0.00 C ATOM 0 HA PRO A 59 7.199 14.211 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.762 12.336 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.055 13.187 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.827 13.754 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.517 13.769 1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.078 16.069 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.381 15.913 0.890 1.00 0.00 H new ATOM 838 N LEU A 60 4.975 13.394 -1.152 1.00 0.00 N ATOM 839 CA LEU A 60 3.603 12.933 -0.967 1.00 0.00 C ATOM 840 C LEU A 60 3.515 11.928 0.176 1.00 0.00 C ATOM 841 O LEU A 60 4.387 11.072 0.332 1.00 0.00 O ATOM 842 CB LEU A 60 3.078 12.303 -2.258 1.00 0.00 C ATOM 843 CG LEU A 60 2.439 13.262 -3.263 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.067 14.642 -3.156 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.573 12.719 -4.678 1.00 0.00 C ATOM 0 H LEU A 60 5.291 13.399 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 60 2.987 13.796 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.904 11.791 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.343 11.542 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 60 1.378 13.350 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.600 15.311 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.917 15.033 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.135 14.573 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.113 13.415 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.628 12.601 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.074 11.752 -4.745 1.00 0.00 H new ATOM 857 N ARG A 61 2.458 12.036 0.973 1.00 0.00 N ATOM 858 CA ARG A 61 2.256 11.135 2.102 1.00 0.00 C ATOM 859 C ARG A 61 1.897 9.733 1.620 1.00 0.00 C ATOM 860 O ARG A 61 1.312 9.563 0.550 1.00 0.00 O ATOM 861 CB ARG A 61 1.153 11.670 3.017 1.00 0.00 C ATOM 862 CG ARG A 61 1.082 10.964 4.361 1.00 0.00 C ATOM 863 CD ARG A 61 1.962 11.647 5.397 1.00 0.00 C ATOM 864 NE ARG A 61 2.204 10.795 6.558 1.00 0.00 N ATOM 865 CZ ARG A 61 3.139 9.853 6.596 1.00 0.00 C ATOM 866 NH1 ARG A 61 3.917 9.645 5.543 1.00 0.00 N ATOM 867 NH2 ARG A 61 3.299 9.119 7.689 1.00 0.00 N ATOM 0 H ARG A 61 1.728 12.739 0.858 1.00 0.00 H new ATOM 0 HA ARG A 61 3.189 11.080 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.315 12.735 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.192 11.569 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.050 10.950 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.394 9.926 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.915 11.918 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.488 12.574 5.720 1.00 0.00 H new ATOM 0 HE ARG A 61 1.623 10.931 7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.798 10.209 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.635 8.921 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.703 9.278 8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.018 8.396 7.717 1.00 0.00 H new ATOM 881 N VAL A 62 2.251 8.730 2.418 1.00 0.00 N ATOM 882 CA VAL A 62 1.966 7.341 2.074 1.00 0.00 C ATOM 883 C VAL A 62 0.945 6.738 3.031 1.00 0.00 C ATOM 884 O VAL A 62 0.689 7.278 4.108 1.00 0.00 O ATOM 885 CB VAL A 62 3.246 6.484 2.097 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.931 5.047 1.711 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.300 7.074 1.172 1.00 0.00 C ATOM 0 H VAL A 62 2.736 8.853 3.307 1.00 0.00 H new ATOM 0 HA VAL A 62 1.557 7.341 1.064 1.00 0.00 H new ATOM 0 HB VAL A 62 3.645 6.485 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.846 4.456 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.213 4.630 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.508 5.024 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.197 6.455 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.914 7.105 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.545 8.085 1.498 1.00 0.00 H new ATOM 897 N THR A 63 0.363 5.611 2.632 1.00 0.00 N ATOM 898 CA THR A 63 -0.631 4.932 3.454 1.00 0.00 C ATOM 899 C THR A 63 -0.360 3.433 3.519 1.00 0.00 C ATOM 900 O THR A 63 -0.353 2.748 2.497 1.00 0.00 O ATOM 901 CB THR A 63 -2.057 5.160 2.914 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.408 6.544 3.029 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.065 4.311 3.673 1.00 0.00 C ATOM 0 H THR A 63 0.563 5.149 1.745 1.00 0.00 H new ATOM 0 HA THR A 63 -0.556 5.356 4.455 1.00 0.00 H new ATOM 0 HB THR A 63 -2.076 4.866 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.378 6.627 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.064 4.489 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.811 3.257 3.560 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.043 4.578 4.730 1.00 0.00 H new ATOM 911 N HIS A 64 -0.137 2.930 4.730 1.00 0.00 N ATOM 912 CA HIS A 64 0.135 1.511 4.929 1.00 0.00 C ATOM 913 C HIS A 64 -1.108 0.787 5.438 1.00 0.00 C ATOM 914 O HIS A 64 -1.522 0.974 6.583 1.00 0.00 O ATOM 915 CB HIS A 64 1.289 1.324 5.916 1.00 0.00 C ATOM 916 CG HIS A 64 2.478 2.184 5.615 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.279 1.999 4.509 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.000 3.238 6.284 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.243 2.901 4.510 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.097 3.666 5.577 1.00 0.00 N ATOM 0 H HIS A 64 -0.139 3.484 5.587 1.00 0.00 H new ATOM 0 HA HIS A 64 0.417 1.082 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.935 1.546 6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.596 0.278 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.624 3.663 7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.019 2.997 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.701 4.447 5.834 1.00 0.00 H new ATOM 929 N ILE A 65 -1.698 -0.039 4.581 1.00 0.00 N ATOM 930 CA ILE A 65 -2.893 -0.791 4.945 1.00 0.00 C ATOM 931 C ILE A 65 -2.567 -2.262 5.176 1.00 0.00 C ATOM 932 O ILE A 65 -2.388 -3.028 4.228 1.00 0.00 O ATOM 933 CB ILE A 65 -3.979 -0.683 3.858 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.371 0.781 3.643 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.195 -1.512 4.240 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.071 1.031 2.326 1.00 0.00 C ATOM 0 H ILE A 65 -1.368 -0.205 3.630 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.271 -0.355 5.870 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.577 -1.074 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.022 1.098 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.475 1.400 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.953 -1.425 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.904 -2.557 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.601 -1.149 5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.319 2.089 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.414 0.746 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.985 0.439 2.282 1.00 0.00 H new ATOM 948 N LYS A 66 -2.492 -2.655 6.444 1.00 0.00 N ATOM 949 CA LYS A 66 -2.190 -4.035 6.802 1.00 0.00 C ATOM 950 C LYS A 66 -3.059 -5.005 6.008 1.00 0.00 C ATOM 951 O LYS A 66 -4.257 -5.132 6.262 1.00 0.00 O ATOM 952 CB LYS A 66 -2.403 -4.252 8.301 1.00 0.00 C ATOM 953 CG LYS A 66 -1.375 -3.552 9.171 1.00 0.00 C ATOM 954 CD LYS A 66 -1.203 -4.253 10.508 1.00 0.00 C ATOM 955 CE LYS A 66 -0.656 -3.308 11.567 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.690 -2.344 12.037 1.00 0.00 N ATOM 0 H LYS A 66 -2.637 -2.035 7.241 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.145 -4.228 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.397 -3.898 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.377 -5.321 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.418 -3.520 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.681 -2.519 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.162 -4.653 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.528 -5.101 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.287 -3.886 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.194 -2.760 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.262 -1.403 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.461 -2.294 11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.070 -2.661 12.952 1.00 0.00 H new ATOM 970 N VAL A 67 -2.447 -5.689 5.046 1.00 0.00 N ATOM 971 CA VAL A 67 -3.165 -6.650 4.217 1.00 0.00 C ATOM 972 C VAL A 67 -3.193 -8.027 4.870 1.00 0.00 C ATOM 973 O VAL A 67 -2.177 -8.717 4.932 1.00 0.00 O ATOM 974 CB VAL A 67 -2.529 -6.770 2.819 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.246 -7.829 1.996 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.548 -5.426 2.108 1.00 0.00 C ATOM 0 H VAL A 67 -1.456 -5.595 4.822 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.185 -6.279 4.114 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.490 -7.078 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.783 -7.900 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.174 -8.792 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.295 -7.555 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.095 -5.530 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.578 -5.086 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.985 -4.698 2.692 1.00 0.00 H new ATOM 986 N MET A 68 -4.366 -8.420 5.358 1.00 0.00 N ATOM 987 CA MET A 68 -4.526 -9.717 6.006 1.00 0.00 C ATOM 988 C MET A 68 -4.626 -10.833 4.971 1.00 0.00 C ATOM 989 O MET A 68 -5.283 -10.680 3.940 1.00 0.00 O ATOM 990 CB MET A 68 -5.774 -9.715 6.893 1.00 0.00 C ATOM 991 CG MET A 68 -5.538 -9.120 8.271 1.00 0.00 C ATOM 992 SD MET A 68 -7.060 -8.543 9.048 1.00 0.00 S ATOM 993 CE MET A 68 -7.154 -6.872 8.409 1.00 0.00 C ATOM 0 H MET A 68 -5.218 -7.860 5.317 1.00 0.00 H new ATOM 0 HA MET A 68 -3.647 -9.898 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.564 -9.153 6.394 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.132 -10.738 7.004 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.069 -9.868 8.910 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.839 -8.288 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.187 -6.527 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.531 -6.215 9.016 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.801 -6.856 7.378 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.971 -11.954 5.253 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.985 -13.096 4.346 1.00 0.00 C ATOM 1005 C CYS A 69 -4.542 -14.335 5.039 1.00 0.00 C ATOM 1006 O CYS A 69 -3.802 -15.098 5.658 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.574 -13.379 3.826 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.363 -15.032 3.125 1.00 0.00 S ATOM 0 H CYS A 69 -3.424 -12.096 6.102 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.633 -12.851 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.323 -12.639 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.864 -13.249 4.643 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.811 -15.919 3.963 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.853 -14.527 4.932 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.511 -15.672 5.551 1.00 0.00 C ATOM 1016 C GLU A 70 -5.970 -16.981 4.985 1.00 0.00 C ATOM 1017 O GLU A 70 -5.025 -16.986 4.196 1.00 0.00 O ATOM 1018 CB GLU A 70 -8.024 -15.597 5.337 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.702 -14.512 6.158 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.592 -14.756 7.651 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.303 -15.648 8.160 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -7.796 -14.054 8.310 1.00 0.00 O ATOM 0 H GLU A 70 -6.480 -13.905 4.423 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.302 -15.644 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.225 -15.420 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.466 -16.561 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.256 -13.547 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.754 -14.455 5.879 1.00 0.00 H new ATOM 1029 N GLY A 71 -6.577 -18.092 5.393 1.00 0.00 N ATOM 1030 CA GLY A 71 -6.142 -19.392 4.917 1.00 0.00 C ATOM 1031 C GLY A 71 -5.616 -19.343 3.497 1.00 0.00 C ATOM 1032 O GLY A 71 -4.503 -19.792 3.225 1.00 0.00 O ATOM 0 H GLY A 71 -7.362 -18.115 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.363 -19.775 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.976 -20.092 4.968 1.00 0.00 H new ATOM 1036 N GLY A 72 -6.418 -18.799 2.588 1.00 0.00 N ATOM 1037 CA GLY A 72 -6.010 -18.705 1.198 1.00 0.00 C ATOM 1038 C GLY A 72 -6.600 -17.496 0.501 1.00 0.00 C ATOM 1039 O GLY A 72 -6.771 -17.497 -0.718 1.00 0.00 O ATOM 0 H GLY A 72 -7.344 -18.421 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.922 -18.657 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.315 -19.609 0.671 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.916 -16.463 1.275 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.495 -15.244 0.723 1.00 0.00 C ATOM 1045 C ARG A 73 -6.832 -14.007 1.324 1.00 0.00 C ATOM 1046 O ARG A 73 -5.952 -14.116 2.179 1.00 0.00 O ATOM 1047 CB ARG A 73 -9.001 -15.205 0.986 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.794 -16.176 0.128 1.00 0.00 C ATOM 1049 CD ARG A 73 -11.127 -16.530 0.771 1.00 0.00 C ATOM 1050 NE ARG A 73 -11.653 -17.798 0.278 1.00 0.00 N ATOM 1051 CZ ARG A 73 -12.133 -17.968 -0.950 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.152 -16.955 -1.804 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.595 -19.155 -1.324 1.00 0.00 N ATOM 0 H ARG A 73 -6.781 -16.446 2.286 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.320 -15.244 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.184 -15.429 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.366 -14.194 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.968 -15.736 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.212 -17.084 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.004 -16.585 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.847 -15.737 0.572 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.653 -18.598 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.798 -16.042 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.521 -17.089 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.582 -19.937 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.963 -19.285 -2.266 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.257 -12.834 0.869 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.703 -11.578 1.358 1.00 0.00 C ATOM 1069 C TYR A 74 -7.812 -10.586 1.693 1.00 0.00 C ATOM 1070 O TYR A 74 -8.813 -10.491 0.981 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.759 -10.973 0.318 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.604 -11.877 -0.049 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -4.718 -12.797 -1.084 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.398 -11.811 0.639 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -3.665 -13.625 -1.423 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -2.340 -12.634 0.305 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.479 -13.539 -0.726 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.427 -14.363 -1.059 1.00 0.00 O ATOM 0 H TYR A 74 -7.984 -12.727 0.162 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.142 -11.789 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.326 -10.738 -0.583 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.365 -10.032 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.646 -12.866 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.286 -11.104 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.771 -14.335 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.409 -12.569 0.848 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.665 -14.174 -0.472 1.00 0.00 H new ATOM 1088 N THR A 75 -7.628 -9.846 2.782 1.00 0.00 N ATOM 1089 CA THR A 75 -8.612 -8.861 3.213 1.00 0.00 C ATOM 1090 C THR A 75 -7.937 -7.655 3.856 1.00 0.00 C ATOM 1091 O THR A 75 -6.834 -7.761 4.392 1.00 0.00 O ATOM 1092 CB THR A 75 -9.615 -9.468 4.211 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.678 -8.542 4.462 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.927 -9.825 5.519 1.00 0.00 C ATOM 0 H THR A 75 -6.806 -9.910 3.382 1.00 0.00 H new ATOM 0 HA THR A 75 -9.149 -8.540 2.321 1.00 0.00 H new ATOM 0 HB THR A 75 -10.024 -10.379 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.006 -8.661 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.655 -10.252 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.138 -10.552 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.494 -8.927 5.959 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.607 -6.509 3.802 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.073 -5.282 4.383 1.00 0.00 C ATOM 1104 C VAL A 76 -9.118 -4.580 5.244 1.00 0.00 C ATOM 1105 O VAL A 76 -10.127 -4.091 4.737 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.586 -4.310 3.292 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.374 -4.881 2.571 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.707 -4.008 2.310 1.00 0.00 C ATOM 0 H VAL A 76 -9.521 -6.404 3.362 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.227 -5.570 5.007 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.289 -3.375 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.044 -4.181 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.568 -5.042 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.641 -5.830 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.346 -3.320 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.037 -4.934 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.543 -3.554 2.841 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.870 -4.537 6.549 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.799 -3.893 7.459 1.00 0.00 C ATOM 1120 C GLY A 77 -11.239 -4.024 7.007 1.00 0.00 C ATOM 1121 O GLY A 77 -11.947 -3.027 6.872 1.00 0.00 O ATOM 0 H GLY A 77 -8.043 -4.936 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.692 -4.330 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.544 -2.837 7.547 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.674 -5.258 6.770 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.037 -5.493 6.332 1.00 0.00 C ATOM 1127 C GLY A 78 -13.312 -6.957 6.052 1.00 0.00 C ATOM 1128 O GLY A 78 -12.390 -7.773 6.012 1.00 0.00 O ATOM 0 H GLY A 78 -11.106 -6.099 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.727 -5.137 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.231 -4.911 5.431 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.583 -7.292 5.860 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.978 -8.670 5.584 1.00 0.00 C ATOM 1134 C LEU A 79 -14.606 -9.068 4.159 1.00 0.00 C ATOM 1135 O LEU A 79 -14.436 -10.249 3.859 1.00 0.00 O ATOM 1136 CB LEU A 79 -16.483 -8.842 5.798 1.00 0.00 C ATOM 1137 CG LEU A 79 -17.389 -8.174 4.763 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.689 -9.131 3.620 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.678 -7.696 5.413 1.00 0.00 C ATOM 0 H LEU A 79 -15.358 -6.629 5.890 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.442 -9.321 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.708 -9.908 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.737 -8.448 6.782 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.868 -7.307 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.335 -8.639 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.757 -9.424 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -18.190 -10.017 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.311 -7.223 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.204 -8.546 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.445 -6.975 6.197 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.479 -8.073 3.286 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.126 -8.321 1.893 1.00 0.00 C ATOM 1153 C GLU A 80 -12.880 -9.197 1.796 1.00 0.00 C ATOM 1154 O GLU A 80 -11.763 -8.739 2.038 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.892 -6.998 1.161 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.150 -6.415 0.540 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.576 -7.150 -0.716 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.687 -7.605 -1.467 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.796 -7.270 -0.949 1.00 0.00 O ATOM 0 H GLU A 80 -14.615 -7.089 3.519 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.956 -8.847 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.474 -6.275 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.149 -7.152 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.960 -6.449 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.980 -5.365 0.302 1.00 0.00 H new ATOM 1166 N THR A 81 -13.080 -10.461 1.438 1.00 0.00 N ATOM 1167 CA THR A 81 -11.975 -11.403 1.310 1.00 0.00 C ATOM 1168 C THR A 81 -11.784 -11.832 -0.140 1.00 0.00 C ATOM 1169 O THR A 81 -12.567 -12.619 -0.674 1.00 0.00 O ATOM 1170 CB THR A 81 -12.200 -12.656 2.178 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.593 -12.988 2.207 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.698 -12.428 3.597 1.00 0.00 C ATOM 0 H THR A 81 -13.997 -10.856 1.231 1.00 0.00 H new ATOM 0 HA THR A 81 -11.079 -10.887 1.655 1.00 0.00 H new ATOM 0 HB THR A 81 -11.639 -13.481 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.728 -13.786 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.867 -13.326 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.632 -12.204 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.235 -11.591 4.043 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.739 -11.312 -0.775 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.446 -11.642 -2.164 1.00 0.00 C ATOM 1182 C PHE A 82 -9.650 -12.939 -2.259 1.00 0.00 C ATOM 1183 O PHE A 82 -8.880 -13.276 -1.359 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.666 -10.503 -2.826 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.237 -9.142 -2.544 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.896 -8.460 -1.388 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.114 -8.546 -3.436 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.418 -7.208 -1.125 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.640 -7.294 -3.178 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.292 -6.624 -2.021 1.00 0.00 C ATOM 0 H PHE A 82 -10.081 -10.660 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.393 -11.779 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.632 -10.533 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.648 -10.664 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.214 -8.912 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.389 -9.065 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.143 -6.687 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.323 -6.840 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.702 -5.646 -1.818 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.841 -13.665 -3.355 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.142 -14.926 -3.569 1.00 0.00 C ATOM 1202 C ASP A 83 -7.631 -14.720 -3.552 1.00 0.00 C ATOM 1203 O ASP A 83 -6.894 -15.500 -2.948 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.569 -15.552 -4.898 1.00 0.00 C ATOM 1205 CG ASP A 83 -9.718 -14.522 -6.001 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -10.817 -13.944 -6.127 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.736 -14.295 -6.738 1.00 0.00 O ATOM 0 H ASP A 83 -10.475 -13.401 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.407 -15.602 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.833 -16.298 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.516 -16.075 -4.763 1.00 0.00 H new ATOM 1212 N SER A 84 -7.176 -13.664 -4.220 1.00 0.00 N ATOM 1213 CA SER A 84 -5.751 -13.358 -4.285 1.00 0.00 C ATOM 1214 C SER A 84 -5.523 -11.851 -4.360 1.00 0.00 C ATOM 1215 O SER A 84 -6.453 -11.081 -4.603 1.00 0.00 O ATOM 1216 CB SER A 84 -5.116 -14.041 -5.498 1.00 0.00 C ATOM 1217 OG SER A 84 -5.102 -15.449 -5.340 1.00 0.00 O ATOM 0 H SER A 84 -7.772 -13.007 -4.723 1.00 0.00 H new ATOM 0 HA SER A 84 -5.281 -13.736 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.670 -13.778 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.098 -13.677 -5.633 1.00 0.00 H new ATOM 0 HG SER A 84 -4.693 -15.863 -6.129 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.279 -11.437 -4.147 1.00 0.00 N ATOM 1224 CA LEU A 85 -3.927 -10.022 -4.189 1.00 0.00 C ATOM 1225 C LEU A 85 -4.313 -9.404 -5.529 1.00 0.00 C ATOM 1226 O LEU A 85 -4.721 -8.243 -5.595 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.427 -9.842 -3.945 1.00 0.00 C ATOM 1228 CG LEU A 85 -1.980 -9.834 -2.483 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.462 -9.845 -2.388 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.553 -8.626 -1.758 1.00 0.00 C ATOM 0 H LEU A 85 -3.498 -12.060 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.481 -9.512 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.897 -10.642 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.115 -8.904 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.359 -10.736 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.163 -9.839 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.074 -10.742 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.060 -8.962 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.225 -8.636 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.204 -7.713 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.642 -8.662 -1.795 1.00 0.00 H new ATOM 1242 N THR A 86 -4.185 -10.186 -6.595 1.00 0.00 N ATOM 1243 CA THR A 86 -4.521 -9.717 -7.933 1.00 0.00 C ATOM 1244 C THR A 86 -5.976 -9.270 -8.008 1.00 0.00 C ATOM 1245 O THR A 86 -6.316 -8.356 -8.760 1.00 0.00 O ATOM 1246 CB THR A 86 -4.278 -10.811 -8.990 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.925 -11.276 -8.912 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.557 -10.284 -10.389 1.00 0.00 C ATOM 0 H THR A 86 -3.850 -11.149 -6.558 1.00 0.00 H new ATOM 0 HA THR A 86 -3.870 -8.868 -8.143 1.00 0.00 H new ATOM 0 HB THR A 86 -4.959 -11.638 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.779 -11.972 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.378 -11.075 -11.118 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.595 -9.958 -10.455 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.898 -9.442 -10.599 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.831 -9.917 -7.225 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.251 -9.584 -7.201 1.00 0.00 C ATOM 1258 C ASP A 87 -8.536 -8.493 -6.174 1.00 0.00 C ATOM 1259 O ASP A 87 -9.415 -7.653 -6.371 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.084 -10.828 -6.887 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.445 -11.612 -8.133 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -8.538 -11.883 -8.947 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.636 -11.954 -8.296 1.00 0.00 O ATOM 0 H ASP A 87 -6.566 -10.676 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.528 -9.211 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.528 -11.471 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.997 -10.530 -6.372 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.790 -8.514 -5.074 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.963 -7.526 -4.014 1.00 0.00 C ATOM 1270 C LEU A 88 -7.511 -6.145 -4.477 1.00 0.00 C ATOM 1271 O LEU A 88 -8.119 -5.132 -4.128 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.176 -7.943 -2.770 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.119 -6.917 -1.638 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.050 -7.615 -0.288 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.930 -5.985 -1.821 1.00 0.00 C ATOM 0 H LEU A 88 -7.060 -9.204 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.023 -7.476 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.613 -8.862 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.155 -8.179 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.030 -6.320 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.010 -6.869 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.934 -8.239 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.157 -8.238 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.906 -5.262 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.008 -6.566 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.023 -5.458 -2.771 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.443 -6.111 -5.266 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.911 -4.854 -5.780 1.00 0.00 C ATOM 1289 C VAL A 89 -6.762 -4.327 -6.930 1.00 0.00 C ATOM 1290 O VAL A 89 -7.137 -3.155 -6.952 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.458 -5.015 -6.264 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.975 -3.741 -6.939 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.549 -5.391 -5.103 1.00 0.00 C ATOM 0 H VAL A 89 -5.928 -6.940 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.935 -4.140 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.425 -5.820 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.946 -3.874 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.610 -3.520 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.021 -2.914 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.526 -5.501 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.585 -4.609 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.884 -6.333 -4.669 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.064 -5.202 -7.885 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.872 -4.823 -9.039 1.00 0.00 C ATOM 1305 C GLU A 90 -9.221 -4.261 -8.599 1.00 0.00 C ATOM 1306 O GLU A 90 -9.712 -3.284 -9.164 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.085 -6.029 -9.957 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.980 -6.214 -10.985 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.699 -4.951 -11.774 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.666 -4.331 -12.265 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.513 -4.582 -11.901 1.00 0.00 O ATOM 0 H GLU A 90 -6.762 -6.176 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.336 -4.047 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.158 -6.930 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.037 -5.917 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.068 -6.532 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.259 -7.013 -11.672 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.813 -4.886 -7.587 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.105 -4.448 -7.069 1.00 0.00 C ATOM 1320 C HIS A 91 -11.025 -3.016 -6.548 1.00 0.00 C ATOM 1321 O HIS A 91 -11.949 -2.225 -6.734 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.576 -5.384 -5.955 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.683 -4.814 -5.123 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.664 -4.234 -3.900 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -14.001 -4.806 -5.528 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -13.956 -3.887 -3.594 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.744 -4.242 -4.592 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.420 -5.697 -7.109 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.825 -4.478 -7.887 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.911 -6.322 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.731 -5.620 -5.308 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.842 -4.083 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.369 -5.199 -6.464 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.276 -3.402 -2.684 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.915 -2.692 -5.895 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.715 -1.356 -5.345 1.00 0.00 C ATOM 1338 C PHE A 92 -9.262 -0.383 -6.430 1.00 0.00 C ATOM 1339 O PHE A 92 -9.533 0.816 -6.358 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.684 -1.395 -4.216 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.139 -2.174 -3.015 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.418 -2.009 -2.509 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.286 -3.071 -2.391 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.840 -2.725 -1.405 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -8.703 -3.790 -1.286 1.00 0.00 C ATOM 1346 CZ PHE A 92 -9.981 -3.615 -0.792 1.00 0.00 C ATOM 0 H PHE A 92 -9.140 -3.335 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.668 -1.009 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.760 -1.832 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.452 -0.375 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.093 -1.312 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.285 -3.210 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.841 -2.588 -1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.030 -4.488 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.308 -4.174 0.073 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.569 -0.909 -7.434 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.076 -0.089 -8.535 1.00 0.00 C ATOM 1358 C LYS A 93 -9.230 0.600 -9.258 1.00 0.00 C ATOM 1359 O LYS A 93 -9.037 1.615 -9.929 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.284 -0.949 -9.523 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.844 -1.188 -9.101 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.142 -2.155 -10.040 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.606 -1.443 -11.274 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.225 -0.928 -11.060 1.00 0.00 N ATOM 0 H LYS A 93 -8.336 -1.899 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.420 0.676 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.785 -1.910 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.292 -0.466 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.306 -0.240 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.822 -1.584 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.321 -2.643 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.837 -2.938 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.611 -2.130 -12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.267 -0.615 -11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.203 0.095 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.936 -1.106 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.570 -1.412 -11.706 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.428 0.045 -9.114 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.613 0.608 -9.751 1.00 0.00 C ATOM 1380 C LYS A 94 -12.474 1.354 -8.735 1.00 0.00 C ATOM 1381 O LYS A 94 -12.897 2.484 -8.976 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.434 -0.499 -10.416 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.864 -1.597 -9.459 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.624 -2.698 -10.179 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.681 -3.751 -10.740 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.011 -3.287 -11.986 1.00 0.00 N ATOM 0 H LYS A 94 -10.605 -0.794 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.285 1.316 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.321 -0.058 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.848 -0.940 -11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.986 -2.019 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.492 -1.173 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.326 -3.167 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.212 -2.266 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.927 -3.999 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.238 -4.665 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.899 -4.089 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.590 -2.550 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.075 -2.897 -11.753 1.00 0.00 H new ATOM 1400 N THR A 95 -12.728 0.713 -7.599 1.00 0.00 N ATOM 1401 CA THR A 95 -13.537 1.315 -6.547 1.00 0.00 C ATOM 1402 C THR A 95 -12.686 2.183 -5.628 1.00 0.00 C ATOM 1403 O THR A 95 -13.027 3.333 -5.353 1.00 0.00 O ATOM 1404 CB THR A 95 -14.251 0.242 -5.703 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.287 -0.614 -5.080 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.191 -0.587 -6.566 1.00 0.00 C ATOM 0 H THR A 95 -12.385 -0.223 -7.384 1.00 0.00 H new ATOM 0 HA THR A 95 -14.285 1.936 -7.040 1.00 0.00 H new ATOM 0 HB THR A 95 -14.837 0.746 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.919 -1.232 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.684 -1.338 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.942 0.064 -7.015 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.622 -1.081 -7.353 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.575 1.626 -5.154 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.693 2.365 -4.271 1.00 0.00 C ATOM 1416 C GLY A 96 -10.760 1.873 -2.839 1.00 0.00 C ATOM 1417 O GLY A 96 -11.540 0.975 -2.520 1.00 0.00 O ATOM 0 H GLY A 96 -11.271 0.676 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.668 2.281 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.956 3.422 -4.301 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.940 2.460 -1.974 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.910 2.075 -0.569 1.00 0.00 C ATOM 1423 C ILE A 97 -10.369 3.222 0.325 1.00 0.00 C ATOM 1424 O ILE A 97 -9.980 4.371 0.126 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.499 1.635 -0.135 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.140 0.294 -0.778 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.416 1.541 1.381 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.669 -0.045 -0.687 1.00 0.00 C ATOM 0 H ILE A 97 -9.288 3.204 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.594 1.234 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.781 2.383 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.717 -0.496 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.436 0.312 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.413 1.229 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.634 2.515 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.141 0.811 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.488 -1.009 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.086 0.725 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.372 -0.096 0.360 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.199 2.899 1.313 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.710 3.904 2.238 1.00 0.00 C ATOM 1442 C GLU A 98 -11.108 3.720 3.628 1.00 0.00 C ATOM 1443 O GLU A 98 -11.421 2.759 4.330 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.237 3.825 2.318 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.895 5.146 2.680 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.408 5.057 2.699 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.000 4.771 1.637 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.002 5.273 3.777 1.00 0.00 O ATOM 0 H GLU A 98 -11.531 1.951 1.493 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.422 4.886 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.626 3.486 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.516 3.075 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.541 5.468 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.588 5.909 1.964 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.240 4.649 4.018 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.592 4.588 5.323 1.00 0.00 C ATOM 1457 C GLU A 99 -10.608 4.788 6.444 1.00 0.00 C ATOM 1458 O GLU A 99 -11.543 5.577 6.316 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.493 5.648 5.421 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.182 5.227 4.777 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.264 6.401 4.501 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.130 7.269 5.389 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.680 6.453 3.398 1.00 0.00 O ATOM 0 H GLU A 99 -9.970 5.452 3.450 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.145 3.600 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.842 6.566 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.315 5.878 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.672 4.518 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.391 4.707 3.842 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.415 4.067 7.544 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.312 4.166 8.689 1.00 0.00 C ATOM 1472 C ALA A 100 -11.691 5.616 8.966 1.00 0.00 C ATOM 1473 O ALA A 100 -12.809 5.906 9.391 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.670 3.540 9.918 1.00 0.00 C ATOM 0 H ALA A 100 -9.646 3.408 7.666 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.225 3.620 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.351 3.621 10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.458 2.489 9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.741 4.061 10.148 1.00 0.00 H new ATOM 1480 N SER A 101 -10.750 6.525 8.725 1.00 0.00 N ATOM 1481 CA SER A 101 -10.984 7.946 8.954 1.00 0.00 C ATOM 1482 C SER A 101 -11.876 8.532 7.864 1.00 0.00 C ATOM 1483 O SER A 101 -12.760 9.342 8.139 1.00 0.00 O ATOM 1484 CB SER A 101 -9.655 8.702 9.002 1.00 0.00 C ATOM 1485 OG SER A 101 -8.774 8.124 9.950 1.00 0.00 O ATOM 0 H SER A 101 -9.819 6.302 8.372 1.00 0.00 H new ATOM 0 HA SER A 101 -11.491 8.056 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.191 8.691 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.836 9.746 9.258 1.00 0.00 H new ATOM 0 HG SER A 101 -7.931 8.624 9.961 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.636 8.116 6.624 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.425 8.609 5.510 1.00 0.00 C ATOM 1493 C GLY A 102 -11.622 8.705 4.228 1.00 0.00 C ATOM 1494 O GLY A 102 -12.131 8.417 3.145 1.00 0.00 O ATOM 0 H GLY A 102 -10.909 7.446 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.278 7.949 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.825 9.592 5.759 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.363 9.114 4.350 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.488 9.247 3.192 1.00 0.00 C ATOM 1500 C ALA A 103 -9.795 8.181 2.146 1.00 0.00 C ATOM 1501 O ALA A 103 -10.232 7.079 2.478 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.030 9.165 3.620 1.00 0.00 C ATOM 0 H ALA A 103 -9.927 9.359 5.239 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.669 10.223 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.388 9.266 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.812 9.968 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.844 8.203 4.097 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.565 8.516 0.881 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.820 7.587 -0.215 1.00 0.00 C ATOM 1510 C PHE A 104 -8.559 7.366 -1.044 1.00 0.00 C ATOM 1511 O PHE A 104 -8.061 8.284 -1.697 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.945 8.114 -1.108 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.318 7.737 -0.629 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.910 6.556 -1.045 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.015 8.564 0.237 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.173 6.207 -0.605 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.279 8.220 0.679 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.858 7.039 0.258 1.00 0.00 C ATOM 0 H PHE A 104 -9.203 9.424 0.589 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.124 6.632 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.874 9.200 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.804 7.732 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.379 5.901 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.566 9.488 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.624 5.283 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.813 8.874 1.353 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.845 6.767 0.603 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.045 6.140 -1.012 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.841 5.796 -1.760 1.00 0.00 C ATOM 1530 C VAL A 105 -7.191 5.191 -3.115 1.00 0.00 C ATOM 1531 O VAL A 105 -8.059 4.323 -3.214 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.959 4.804 -0.980 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.691 4.489 -1.759 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.624 5.359 0.397 1.00 0.00 C ATOM 0 H VAL A 105 -8.443 5.369 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.286 6.722 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.515 3.876 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.081 3.786 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.955 4.047 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.128 5.408 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.000 4.645 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.087 6.301 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.545 5.529 0.955 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.510 5.654 -4.157 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.749 5.159 -5.508 1.00 0.00 C ATOM 1546 C TYR A 106 -5.480 4.554 -6.099 1.00 0.00 C ATOM 1547 O TYR A 106 -4.442 5.212 -6.178 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.254 6.290 -6.405 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.402 7.072 -5.806 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.541 6.426 -5.342 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.346 8.456 -5.704 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.592 7.136 -4.794 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.392 9.175 -5.157 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.512 8.510 -4.705 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.557 9.221 -4.158 1.00 0.00 O ATOM 0 H TYR A 106 -5.788 6.371 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.509 4.380 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.430 6.973 -6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.570 5.871 -7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.606 5.350 -5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.470 8.979 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.470 6.618 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.332 10.251 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.343 10.177 -4.168 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.571 3.295 -6.516 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.431 2.598 -7.101 1.00 0.00 C ATOM 1567 C LEU A 107 -4.500 2.627 -8.625 1.00 0.00 C ATOM 1568 O LEU A 107 -5.354 1.979 -9.229 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.384 1.151 -6.609 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.966 0.896 -5.218 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -5.547 -0.507 -5.131 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.904 1.102 -4.149 1.00 0.00 C ATOM 0 H LEU A 107 -6.423 2.737 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.522 3.111 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.919 0.527 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.345 0.821 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.770 1.612 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.956 -0.670 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.339 -0.619 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.762 -1.238 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.336 0.916 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.078 0.411 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.535 2.127 -4.195 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.593 3.381 -9.239 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.551 3.494 -10.692 1.00 0.00 C ATOM 1586 C ARG A 108 -2.157 3.167 -11.222 1.00 0.00 C ATOM 1587 O ARG A 108 -2.013 2.594 -12.302 1.00 0.00 O ATOM 1588 CB ARG A 108 -3.957 4.903 -11.128 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.256 5.382 -10.502 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.640 6.764 -11.008 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.261 6.711 -12.329 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.525 7.787 -13.061 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.224 8.995 -12.602 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.091 7.657 -14.254 1.00 0.00 N ATOM 0 H ARG A 108 -2.878 3.922 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.257 2.776 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.160 5.599 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.057 4.924 -12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.054 4.675 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.152 5.406 -9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.328 7.230 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.752 7.394 -11.050 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.505 5.797 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.789 9.098 -11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.428 9.820 -13.166 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.324 6.730 -14.610 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.293 8.484 -14.815 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.137 3.535 -10.454 1.00 0.00 N ATOM 1609 CA GLN A 109 0.244 3.283 -10.847 1.00 0.00 C ATOM 1610 C GLN A 109 0.856 2.169 -10.003 1.00 0.00 C ATOM 1611 O GLN A 109 1.360 2.396 -8.903 1.00 0.00 O ATOM 1612 CB GLN A 109 1.077 4.559 -10.710 1.00 0.00 C ATOM 1613 CG GLN A 109 1.095 5.412 -11.968 1.00 0.00 C ATOM 1614 CD GLN A 109 1.242 6.891 -11.668 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.070 7.578 -12.265 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.434 7.389 -10.740 1.00 0.00 N ATOM 0 H GLN A 109 -1.241 4.008 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 109 0.246 2.967 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.684 5.152 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.100 4.289 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.917 5.091 -12.608 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.174 5.248 -12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.238 6.782 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.485 8.378 -10.497 1.00 0.00 H new ATOM 1625 N PRO A 110 0.811 0.936 -10.529 1.00 0.00 N ATOM 1626 CA PRO A 110 1.356 -0.238 -9.840 1.00 0.00 C ATOM 1627 C PRO A 110 2.879 -0.216 -9.774 1.00 0.00 C ATOM 1628 O PRO A 110 3.556 -0.592 -10.730 1.00 0.00 O ATOM 1629 CB PRO A 110 0.875 -1.409 -10.701 1.00 0.00 C ATOM 1630 CG PRO A 110 0.675 -0.825 -12.056 1.00 0.00 C ATOM 1631 CD PRO A 110 0.224 0.592 -11.835 1.00 0.00 C ATOM 0 HA PRO A 110 1.027 -0.291 -8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.610 -2.214 -10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.051 -1.833 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.599 -0.855 -12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.070 -1.388 -12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.581 1.255 -12.623 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.863 0.670 -11.820 1.00 0.00 H new ATOM 1639 N TYR A 111 3.411 0.228 -8.640 1.00 0.00 N ATOM 1640 CA TYR A 111 4.854 0.300 -8.450 1.00 0.00 C ATOM 1641 C TYR A 111 5.477 -1.093 -8.470 1.00 0.00 C ATOM 1642 O TYR A 111 5.326 -1.867 -7.525 1.00 0.00 O ATOM 1643 CB TYR A 111 5.181 0.998 -7.130 1.00 0.00 C ATOM 1644 CG TYR A 111 6.609 1.490 -7.041 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.977 2.714 -7.588 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.588 0.731 -6.413 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.280 3.166 -7.511 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.893 1.178 -6.330 1.00 0.00 C ATOM 1649 CZ TYR A 111 9.234 2.395 -6.880 1.00 0.00 C ATOM 1650 OH TYR A 111 10.533 2.843 -6.801 1.00 0.00 O ATOM 0 H TYR A 111 2.864 0.543 -7.839 1.00 0.00 H new ATOM 0 HA TYR A 111 5.275 0.878 -9.273 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.506 1.844 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.991 0.308 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.232 3.321 -8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.325 -0.224 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.550 4.118 -7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.642 0.577 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 111 10.540 3.823 -6.778 1.00 0.00 H new ATOM 1660 N TYR A 112 6.179 -1.403 -9.554 1.00 0.00 N ATOM 1661 CA TYR A 112 6.825 -2.703 -9.701 1.00 0.00 C ATOM 1662 C TYR A 112 8.337 -2.580 -9.542 1.00 0.00 C ATOM 1663 O TYR A 112 8.904 -1.499 -9.703 1.00 0.00 O ATOM 1664 CB TYR A 112 6.491 -3.311 -11.064 1.00 0.00 C ATOM 1665 CG TYR A 112 6.146 -2.283 -12.118 1.00 0.00 C ATOM 1666 CD1 TYR A 112 7.007 -1.228 -12.395 1.00 0.00 C ATOM 1667 CD2 TYR A 112 4.960 -2.368 -12.837 1.00 0.00 C ATOM 1668 CE1 TYR A 112 6.695 -0.285 -13.356 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.641 -1.432 -13.801 1.00 0.00 C ATOM 1670 CZ TYR A 112 5.512 -0.392 -14.057 1.00 0.00 C ATOM 1671 OH TYR A 112 5.199 0.543 -15.017 1.00 0.00 O ATOM 0 H TYR A 112 6.316 -0.772 -10.344 1.00 0.00 H new ATOM 0 HA TYR A 112 6.448 -3.359 -8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.341 -3.900 -11.408 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.652 -3.998 -10.950 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.936 -1.144 -11.850 1.00 0.00 H new ATOM 0 HD2 TYR A 112 4.276 -3.180 -12.639 1.00 0.00 H new ATOM 0 HE1 TYR A 112 7.374 0.531 -13.557 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.715 -1.513 -14.351 1.00 0.00 H new ATOM 0 HH TYR A 112 4.332 0.323 -15.418 1.00 0.00 H new ATOM 1681 N SER A 113 8.985 -3.696 -9.226 1.00 0.00 N ATOM 1682 CA SER A 113 10.431 -3.716 -9.043 1.00 0.00 C ATOM 1683 C SER A 113 11.138 -3.075 -10.234 1.00 0.00 C ATOM 1684 O SER A 113 11.011 -3.534 -11.368 1.00 0.00 O ATOM 1685 CB SER A 113 10.924 -5.152 -8.856 1.00 0.00 C ATOM 1686 OG SER A 113 12.237 -5.176 -8.323 1.00 0.00 O ATOM 0 H SER A 113 8.531 -4.599 -9.091 1.00 0.00 H new ATOM 0 HA SER A 113 10.667 -3.140 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.248 -5.688 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.907 -5.673 -9.813 1.00 0.00 H new ATOM 0 HG SER A 113 12.528 -6.105 -8.212 1.00 0.00 H new ATOM 1692 N GLY A 114 11.886 -2.008 -9.965 1.00 0.00 N ATOM 1693 CA GLY A 114 12.603 -1.319 -11.023 1.00 0.00 C ATOM 1694 C GLY A 114 13.368 -0.114 -10.515 1.00 0.00 C ATOM 1695 O GLY A 114 12.927 0.590 -9.607 1.00 0.00 O ATOM 0 H GLY A 114 12.008 -1.609 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.297 -2.012 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.896 -1.000 -11.789 1.00 0.00 H new ATOM 1699 N PRO A 115 14.544 0.138 -11.108 1.00 0.00 N ATOM 1700 CA PRO A 115 15.398 1.267 -10.726 1.00 0.00 C ATOM 1701 C PRO A 115 14.797 2.609 -11.126 1.00 0.00 C ATOM 1702 O PRO A 115 14.286 2.766 -12.236 1.00 0.00 O ATOM 1703 CB PRO A 115 16.694 1.009 -11.498 1.00 0.00 C ATOM 1704 CG PRO A 115 16.279 0.189 -12.671 1.00 0.00 C ATOM 1705 CD PRO A 115 15.132 -0.659 -12.197 1.00 0.00 C ATOM 0 HA PRO A 115 15.535 1.328 -9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.160 1.943 -11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.423 0.480 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.977 0.824 -13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 115 17.103 -0.431 -13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 115 14.412 -0.842 -12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.472 -1.633 -11.844 1.00 0.00 H new ATOM 1713 N SER A 116 14.863 3.578 -10.217 1.00 0.00 N ATOM 1714 CA SER A 116 14.322 4.907 -10.476 1.00 0.00 C ATOM 1715 C SER A 116 15.443 5.929 -10.628 1.00 0.00 C ATOM 1716 O SER A 116 15.219 7.051 -11.083 1.00 0.00 O ATOM 1717 CB SER A 116 13.383 5.327 -9.343 1.00 0.00 C ATOM 1718 OG SER A 116 14.115 5.763 -8.211 1.00 0.00 O ATOM 0 H SER A 116 15.286 3.467 -9.295 1.00 0.00 H new ATOM 0 HA SER A 116 13.760 4.869 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.728 6.127 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.744 4.489 -9.066 1.00 0.00 H new ATOM 0 HG SER A 116 13.493 6.028 -7.501 1.00 0.00 H new ATOM 1724 N SER A 117 16.653 5.533 -10.244 1.00 0.00 N ATOM 1725 CA SER A 117 17.811 6.415 -10.334 1.00 0.00 C ATOM 1726 C SER A 117 18.441 6.346 -11.722 1.00 0.00 C ATOM 1727 O SER A 117 18.651 5.262 -12.266 1.00 0.00 O ATOM 1728 CB SER A 117 18.847 6.042 -9.272 1.00 0.00 C ATOM 1729 OG SER A 117 19.234 4.685 -9.392 1.00 0.00 O ATOM 0 H SER A 117 16.857 4.607 -9.868 1.00 0.00 H new ATOM 0 HA SER A 117 17.473 7.436 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.723 6.683 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.434 6.219 -8.279 1.00 0.00 H new ATOM 0 HG SER A 117 19.898 4.472 -8.703 1.00 0.00 H new ATOM 1735 N GLY A 118 18.739 7.510 -12.289 1.00 0.00 N ATOM 1736 CA GLY A 118 19.341 7.561 -13.608 1.00 0.00 C ATOM 1737 C GLY A 118 19.452 8.975 -14.142 1.00 0.00 C ATOM 1738 O GLY A 118 19.604 9.149 -15.349 1.00 0.00 O ATOM 0 H GLY A 118 18.574 8.420 -11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 118 20.334 7.112 -13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 118 18.747 6.961 -14.298 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 16.528 10.082 9.352 1.00 0.00 N ATOM 1744 CA ALA B 1 15.320 9.714 8.623 1.00 0.00 C ATOM 1745 C ALA B 1 14.889 8.291 8.960 1.00 0.00 C ATOM 1746 O ALA B 1 14.475 7.532 8.082 1.00 0.00 O ATOM 1747 CB ALA B 1 15.544 9.859 7.125 1.00 0.00 C ATOM 0 H1 ALA B 1 16.886 10.991 8.995 1.00 0.00 H new ATOM 0 H2 ALA B 1 16.309 10.171 10.365 1.00 0.00 H new ATOM 0 H3 ALA B 1 17.252 9.348 9.217 1.00 0.00 H new ATOM 0 HA ALA B 1 14.521 10.390 8.927 1.00 0.00 H new ATOM 0 HB1 ALA B 1 14.634 9.581 6.593 1.00 0.00 H new ATOM 0 HB2 ALA B 1 15.798 10.893 6.894 1.00 0.00 H new ATOM 0 HB3 ALA B 1 16.360 9.207 6.814 1.00 0.00 H new ATOM 1753 N THR B 2 14.986 7.934 10.237 1.00 0.00 N ATOM 1754 CA THR B 2 14.608 6.601 10.689 1.00 0.00 C ATOM 1755 C THR B 2 13.258 6.624 11.398 1.00 0.00 C ATOM 1756 O THR B 2 12.977 7.526 12.186 1.00 0.00 O ATOM 1757 CB THR B 2 15.664 6.010 11.641 1.00 0.00 C ATOM 1758 OG1 THR B 2 16.944 5.989 11.000 1.00 0.00 O ATOM 1759 CG2 THR B 2 15.281 4.600 12.065 1.00 0.00 C ATOM 0 H THR B 2 15.323 8.550 10.977 1.00 0.00 H new ATOM 0 HA THR B 2 14.539 5.974 9.800 1.00 0.00 H new ATOM 0 HB THR B 2 15.713 6.639 12.530 1.00 0.00 H new ATOM 0 HG1 THR B 2 17.610 5.613 11.613 1.00 0.00 H new ATOM 0 HG21 THR B 2 16.042 4.203 12.737 1.00 0.00 H new ATOM 0 HG22 THR B 2 14.320 4.623 12.578 1.00 0.00 H new ATOM 0 HG23 THR B 2 15.207 3.963 11.184 1.00 0.00 H new ATOM 1767 N GLU B 3 12.427 5.626 11.111 1.00 0.00 N ATOM 1768 CA GLU B 3 11.107 5.533 11.722 1.00 0.00 C ATOM 1769 C GLU B 3 10.745 4.081 12.018 1.00 0.00 C ATOM 1770 O GLU B 3 10.820 3.221 11.140 1.00 0.00 O ATOM 1771 CB GLU B 3 10.052 6.157 10.806 1.00 0.00 C ATOM 1772 CG GLU B 3 9.905 7.659 10.981 1.00 0.00 C ATOM 1773 CD GLU B 3 9.360 8.038 12.344 1.00 0.00 C ATOM 1774 OE1 GLU B 3 8.122 8.051 12.504 1.00 0.00 O ATOM 1775 OE2 GLU B 3 10.171 8.321 13.250 1.00 0.00 O ATOM 0 H GLU B 3 12.645 4.872 10.460 1.00 0.00 H new ATOM 0 HA GLU B 3 11.131 6.082 12.663 1.00 0.00 H new ATOM 0 HB2 GLU B 3 10.312 5.944 9.769 1.00 0.00 H new ATOM 0 HB3 GLU B 3 9.090 5.682 10.997 1.00 0.00 H new ATOM 0 HG2 GLU B 3 10.875 8.134 10.837 1.00 0.00 H new ATOM 0 HG3 GLU B 3 9.242 8.048 10.208 1.00 0.00 H new ATOM 1782 N GLN B 4 10.354 3.816 13.260 1.00 0.00 N ATOM 1783 CA GLN B 4 9.982 2.467 13.672 1.00 0.00 C ATOM 1784 C GLN B 4 8.492 2.386 13.988 1.00 0.00 C ATOM 1785 O GLN B 4 7.783 3.390 13.942 1.00 0.00 O ATOM 1786 CB GLN B 4 10.799 2.041 14.894 1.00 0.00 C ATOM 1787 CG GLN B 4 12.234 1.663 14.564 1.00 0.00 C ATOM 1788 CD GLN B 4 12.373 0.215 14.136 1.00 0.00 C ATOM 1789 OE1 GLN B 4 11.609 -0.648 14.570 1.00 0.00 O ATOM 1790 NE2 GLN B 4 13.350 -0.058 13.280 1.00 0.00 N ATOM 0 H GLN B 4 10.286 4.517 13.998 1.00 0.00 H new ATOM 0 HA GLN B 4 10.197 1.789 12.846 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.804 2.855 15.619 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.309 1.192 15.371 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.602 2.310 13.768 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.863 1.842 15.436 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.959 0.689 12.947 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.491 -1.015 12.956 1.00 0.00 H new ATOM 1799 N GLU B 5 8.025 1.183 14.310 1.00 0.00 N ATOM 1800 CA GLU B 5 6.618 0.973 14.633 1.00 0.00 C ATOM 1801 C GLU B 5 5.720 1.793 13.712 1.00 0.00 C ATOM 1802 O GLU B 5 4.774 2.439 14.165 1.00 0.00 O ATOM 1803 CB GLU B 5 6.346 1.342 16.092 1.00 0.00 C ATOM 1804 CG GLU B 5 6.580 2.811 16.402 1.00 0.00 C ATOM 1805 CD GLU B 5 6.079 3.205 17.777 1.00 0.00 C ATOM 1806 OE1 GLU B 5 4.911 2.897 18.094 1.00 0.00 O ATOM 1807 OE2 GLU B 5 6.855 3.822 18.537 1.00 0.00 O ATOM 0 H GLU B 5 8.599 0.341 14.354 1.00 0.00 H new ATOM 0 HA GLU B 5 6.391 -0.083 14.486 1.00 0.00 H new ATOM 0 HB2 GLU B 5 5.315 1.088 16.336 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.984 0.737 16.736 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.646 3.028 16.332 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.081 3.421 15.649 1.00 0.00 H new ATOM 1814 N ILE B 6 6.023 1.763 12.418 1.00 0.00 N ATOM 1815 CA ILE B 6 5.243 2.504 11.434 1.00 0.00 C ATOM 1816 C ILE B 6 3.762 2.506 11.796 1.00 0.00 C ATOM 1817 O ILE B 6 3.249 1.544 12.370 1.00 0.00 O ATOM 1818 CB ILE B 6 5.415 1.915 10.022 1.00 0.00 C ATOM 1819 CG1 ILE B 6 6.882 1.979 9.593 1.00 0.00 C ATOM 1820 CG2 ILE B 6 4.534 2.658 9.028 1.00 0.00 C ATOM 1821 CD1 ILE B 6 7.288 0.862 8.658 1.00 0.00 C ATOM 0 H ILE B 6 6.802 1.234 12.027 1.00 0.00 H new ATOM 0 HA ILE B 6 5.617 3.528 11.440 1.00 0.00 H new ATOM 0 HB ILE B 6 5.108 0.869 10.041 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.068 2.936 9.105 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.513 1.946 10.481 1.00 0.00 H new ATOM 0 HG21 ILE B 6 4.666 2.230 8.034 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.490 2.565 9.327 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.814 3.711 9.010 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.340 0.971 8.396 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.135 -0.098 9.150 1.00 0.00 H new ATOM 0 HD13 ILE B 6 6.682 0.907 7.753 1.00 0.00 H new ATOM 1833 N THR B 7 3.076 3.592 11.454 1.00 0.00 N ATOM 1834 CA THR B 7 1.653 3.721 11.742 1.00 0.00 C ATOM 1835 C THR B 7 0.813 3.411 10.508 1.00 0.00 C ATOM 1836 O THR B 7 0.823 4.164 9.534 1.00 0.00 O ATOM 1837 CB THR B 7 1.307 5.135 12.244 1.00 0.00 C ATOM 1838 OG1 THR B 7 1.997 5.402 13.469 1.00 0.00 O ATOM 1839 CG2 THR B 7 -0.193 5.280 12.459 1.00 0.00 C ATOM 0 H THR B 7 3.484 4.396 10.977 1.00 0.00 H new ATOM 0 HA THR B 7 1.422 3.000 12.526 1.00 0.00 H new ATOM 0 HB THR B 7 1.621 5.853 11.487 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.773 6.304 13.781 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.414 6.287 12.814 1.00 0.00 H new ATOM 0 HG22 THR B 7 -0.714 5.104 11.518 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.526 4.553 13.200 1.00 0.00 H new HETATM 1847 N PTR B 8 0.087 2.301 10.556 1.00 0.00 N HETATM 1848 CA PTR B 8 -0.758 1.891 9.441 1.00 0.00 C HETATM 1849 C PTR B 8 -2.100 2.617 9.478 1.00 0.00 C HETATM 1850 O PTR B 8 -2.538 3.079 10.530 1.00 0.00 O HETATM 1851 CB PTR B 8 -0.983 0.378 9.471 1.00 0.00 C HETATM 1852 CG PTR B 8 0.261 -0.425 9.165 1.00 0.00 C HETATM 1853 CD1 PTR B 8 0.275 -1.352 8.129 1.00 0.00 C HETATM 1854 CD2 PTR B 8 1.421 -0.259 9.910 1.00 0.00 C HETATM 1855 CE1 PTR B 8 1.409 -2.089 7.846 1.00 0.00 C HETATM 1856 CE2 PTR B 8 2.560 -0.990 9.632 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.549 -1.903 8.600 1.00 0.00 C HETATM 1858 OH PTR B 8 3.681 -2.635 8.321 1.00 0.00 O HETATM 1859 P PTR B 8 4.436 -3.590 9.360 1.00 0.00 P HETATM 1860 O1P PTR B 8 5.807 -3.873 8.882 1.00 0.00 O HETATM 1861 O2P PTR B 8 4.513 -2.934 10.685 1.00 0.00 O HETATM 1862 O3P PTR B 8 3.702 -4.867 9.498 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.462 -0.845 10.226 1.00 0.00 H new HETATM 0 HE1 PTR B 8 1.403 -2.813 7.031 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.433 0.461 10.729 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.624 -1.500 7.530 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.356 0.094 10.455 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.758 0.120 8.750 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.247 2.156 8.516 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.747 2.711 8.321 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.039 3.377 8.221 1.00 0.00 C ATOM 1873 C ALA B 9 -5.175 2.363 8.147 1.00 0.00 C ATOM 1874 O ALA B 9 -5.584 1.954 7.060 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.067 4.294 7.007 1.00 0.00 C ATOM 0 H ALA B 9 -2.397 2.334 7.440 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.181 3.977 9.120 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.038 4.785 6.944 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.285 5.047 7.102 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.898 3.707 6.104 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.680 1.959 9.309 1.00 0.00 N ATOM 1882 CA GLU B 10 -6.768 0.991 9.374 1.00 0.00 C ATOM 1883 C GLU B 10 -7.914 1.398 8.451 1.00 0.00 C ATOM 1884 O GLU B 10 -8.046 2.566 8.084 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.278 0.858 10.810 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.877 -0.502 11.120 1.00 0.00 C ATOM 1887 CD GLU B 10 -7.940 -0.787 12.608 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -6.903 -0.633 13.287 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -9.028 -1.162 13.094 1.00 0.00 O ATOM 0 H GLU B 10 -5.353 2.287 10.218 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.382 0.027 9.043 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.454 1.048 11.498 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.029 1.626 10.992 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -8.882 -0.556 10.701 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -7.285 -1.275 10.631 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.739 0.426 8.079 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.874 0.681 7.199 1.00 0.00 C ATOM 1898 C LEU B 11 -11.193 0.484 7.940 1.00 0.00 C ATOM 1899 O LEU B 11 -11.239 -0.167 8.982 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.818 -0.243 5.981 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.620 -0.055 5.050 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.815 -0.841 3.762 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.406 1.422 4.748 1.00 0.00 C ATOM 0 H LEU B 11 -8.643 -0.546 8.373 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.817 1.717 6.865 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.821 -1.275 6.332 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.730 -0.101 5.400 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.731 -0.436 5.553 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.952 -0.695 3.112 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.918 -1.901 3.995 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.714 -0.491 3.255 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.549 1.537 4.084 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.296 1.827 4.266 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.220 1.960 5.677 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.263 1.051 7.393 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.584 0.937 8.001 1.00 0.00 C ATOM 1917 C ASN B 12 -14.216 -0.413 7.681 1.00 0.00 C ATOM 1918 O ASN B 12 -14.011 -0.966 6.599 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.492 2.067 7.513 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.616 2.368 8.487 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.736 1.883 8.327 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.320 3.171 9.501 1.00 0.00 N ATOM 0 H ASN B 12 -12.242 1.594 6.530 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.467 1.015 9.082 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -13.897 2.967 7.360 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.916 1.797 6.546 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.035 3.410 10.188 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.377 3.550 9.593 1.00 0.00 H new ATOM 1929 N LEU B 13 -14.986 -0.939 8.627 1.00 0.00 N ATOM 1930 CA LEU B 13 -15.650 -2.226 8.446 1.00 0.00 C ATOM 1931 C LEU B 13 -16.688 -2.461 9.537 1.00 0.00 C ATOM 1932 O LEU B 13 -16.532 -1.997 10.666 1.00 0.00 O ATOM 1933 CB LEU B 13 -14.621 -3.358 8.453 1.00 0.00 C ATOM 1934 CG LEU B 13 -13.696 -3.417 9.669 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.002 -4.767 9.747 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -12.673 -2.291 9.617 1.00 0.00 C ATOM 0 H LEU B 13 -15.166 -0.495 9.527 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.160 -2.212 7.483 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -15.153 -4.306 8.380 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -14.006 -3.268 7.558 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.300 -3.290 10.567 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.348 -4.790 10.619 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.749 -5.556 9.833 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.410 -4.925 8.845 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -12.023 -2.349 10.490 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -12.073 -2.386 8.712 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -13.189 -1.331 9.612 1.00 0.00 H new ATOM 1948 N GLN B 14 -17.749 -3.185 9.191 1.00 0.00 N ATOM 1949 CA GLN B 14 -18.813 -3.482 10.143 1.00 0.00 C ATOM 1950 C GLN B 14 -18.242 -3.768 11.527 1.00 0.00 C ATOM 1951 O GLN B 14 -18.739 -3.260 12.533 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.636 -4.678 9.661 1.00 0.00 C ATOM 1953 CG GLN B 14 -18.808 -5.929 9.419 1.00 0.00 C ATOM 1954 CD GLN B 14 -18.662 -6.783 10.663 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -18.922 -6.327 11.777 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -18.245 -8.030 10.480 1.00 0.00 N ATOM 0 H GLN B 14 -17.894 -3.576 8.260 1.00 0.00 H new ATOM 0 HA GLN B 14 -19.460 -2.607 10.211 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -20.406 -4.900 10.400 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -20.148 -4.407 8.738 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -19.272 -6.520 8.630 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -17.819 -5.642 9.062 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -18.041 -8.367 9.539 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -18.129 -8.652 11.280 1.00 0.00 H new ATOM 1965 N LYS B 15 -17.194 -4.584 11.573 1.00 0.00 N ATOM 1966 CA LYS B 15 -16.553 -4.937 12.833 1.00 0.00 C ATOM 1967 C LYS B 15 -16.075 -3.690 13.570 1.00 0.00 C ATOM 1968 O LYS B 15 -15.549 -2.760 12.959 1.00 0.00 O ATOM 1969 CB LYS B 15 -15.372 -5.878 12.583 1.00 0.00 C ATOM 1970 CG LYS B 15 -15.748 -7.137 11.821 1.00 0.00 C ATOM 1971 CD LYS B 15 -14.521 -7.953 11.454 1.00 0.00 C ATOM 1972 CE LYS B 15 -14.845 -9.436 11.361 1.00 0.00 C ATOM 1973 NZ LYS B 15 -13.630 -10.254 11.094 1.00 0.00 N ATOM 0 H LYS B 15 -16.771 -5.013 10.750 1.00 0.00 H new ATOM 0 HA LYS B 15 -17.290 -5.445 13.455 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -14.603 -5.342 12.026 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -14.934 -6.160 13.540 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -16.421 -7.743 12.427 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -16.291 -6.867 10.915 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -14.124 -7.606 10.500 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -13.742 -7.796 12.200 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -15.307 -9.766 12.291 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -15.574 -9.599 10.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -13.893 -11.259 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -13.203 -9.957 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -12.944 -10.118 11.864 1.00 0.00 H new TER 1987 LYS B 15