USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 929 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 160:sc= -3.27! USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc= -1.1 K(o=-3.6,f=-5.2!) USER MOD Set 2.2: A 130 TYR OH : rot 180:sc= -2.49 USER MOD Set 3.1: A 34 SER OG : rot -39:sc= 0.383 USER MOD Set 3.2: A 41 GLN : amide:sc= -0.667 K(o=-0.28,f=-0.88) USER MOD Single : A 1 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.17) USER MOD Single : A 1 ASN N :NH3+ 166:sc= 0 (180deg=-0.269) USER MOD Single : A 5 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -93:sc= 0.374 USER MOD Single : A 10 THR OG1 : rot 136:sc= 0.992 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0.0055) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0.0887 (180deg=-0.0244) USER MOD Single : A 27 ASN : amide:sc= 0.251 K(o=0.25,f=-3.7!) USER MOD Single : A 30 THR OG1 : rot -15:sc= 0.363! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -80:sc= -0.993 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.756) USER MOD Single : A 59 ASN : amide:sc= -3.96! C(o=-4!,f=-4.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -41:sc= -0.48! USER MOD Single : A 71 GLN : amide:sc= -4.65 K(o=-4.7,f=-11!) USER MOD Single : A 73 SER OG : rot -177:sc= -0.793 USER MOD Single : A 74 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.1!) USER MOD Single : A 76 SER OG : rot 5:sc= 0.924 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 42:sc= 0.00341 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 100 THR OG1 : rot 18:sc= 0.121! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.652 K(o=-0.65,f=-1.3) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 118 THR OG1 : rot -111:sc= 0.826 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -28:sc= -0.423! USER MOD Single : A 123 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.074 -15.693 -12.790 1.00 0.00 N ATOM 2 CA ASN A 1 -8.665 -15.338 -12.922 1.00 0.00 C ATOM 3 C ASN A 1 -8.423 -13.897 -12.483 1.00 0.00 C ATOM 4 O ASN A 1 -7.817 -13.109 -13.211 1.00 0.00 O ATOM 5 CB ASN A 1 -8.203 -15.528 -14.368 1.00 0.00 C ATOM 6 CG ASN A 1 -9.223 -15.026 -15.371 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.148 -15.748 -15.747 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.060 -13.784 -15.811 1.00 0.00 N ATOM 0 H1 ASN A 1 -10.259 -16.577 -13.306 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.306 -15.824 -11.785 1.00 0.00 H new ATOM 0 H3 ASN A 1 -10.662 -14.932 -13.185 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.088 -15.997 -12.274 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -7.261 -15.001 -14.518 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -8.009 -16.585 -14.549 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.715 -13.392 -16.487 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.279 -13.221 -15.473 1.00 0.00 H new ATOM 15 N LEU A 2 -8.900 -13.560 -11.291 1.00 0.00 N ATOM 16 CA LEU A 2 -8.736 -12.213 -10.754 1.00 0.00 C ATOM 17 C LEU A 2 -7.789 -12.215 -9.559 1.00 0.00 C ATOM 18 O LEU A 2 -8.095 -11.650 -8.510 1.00 0.00 O ATOM 19 CB LEU A 2 -10.092 -11.637 -10.343 1.00 0.00 C ATOM 20 CG LEU A 2 -11.193 -11.691 -11.404 1.00 0.00 C ATOM 21 CD1 LEU A 2 -12.550 -11.407 -10.778 1.00 0.00 C ATOM 22 CD2 LEU A 2 -10.903 -10.704 -12.524 1.00 0.00 C ATOM 0 H LEU A 2 -9.404 -14.200 -10.677 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.305 -11.588 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.439 -12.173 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.949 -10.597 -10.049 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.214 -12.695 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.321 -11.449 -11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.760 -12.153 -10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.542 -10.415 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.696 -10.756 -13.270 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.854 -9.694 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.950 -10.953 -12.991 1.00 0.00 H new ATOM 34 N ALA A 3 -6.635 -12.853 -9.726 1.00 0.00 N ATOM 35 CA ALA A 3 -5.640 -12.924 -8.663 1.00 0.00 C ATOM 36 C ALA A 3 -4.231 -12.744 -9.216 1.00 0.00 C ATOM 37 O ALA A 3 -3.897 -13.272 -10.278 1.00 0.00 O ATOM 38 CB ALA A 3 -5.754 -14.249 -7.923 1.00 0.00 C ATOM 0 H ALA A 3 -6.366 -13.328 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.833 -12.111 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.005 -14.289 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.749 -14.337 -7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.590 -15.070 -8.620 1.00 0.00 H new ATOM 44 N LEU A 4 -3.407 -11.996 -8.490 1.00 0.00 N ATOM 45 CA LEU A 4 -2.032 -11.746 -8.910 1.00 0.00 C ATOM 46 C LEU A 4 -1.211 -11.164 -7.763 1.00 0.00 C ATOM 47 O LEU A 4 -1.735 -10.445 -6.914 1.00 0.00 O ATOM 48 CB LEU A 4 -2.008 -10.791 -10.104 1.00 0.00 C ATOM 49 CG LEU A 4 -1.240 -11.275 -11.335 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.187 -10.185 -12.394 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.164 -11.714 -10.947 1.00 0.00 C ATOM 0 H LEU A 4 -3.666 -11.553 -7.609 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.589 -12.697 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.037 -10.585 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.575 -9.845 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.765 -12.133 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.637 -10.548 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.201 -9.918 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.685 -9.307 -11.987 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.697 -12.055 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.698 -10.874 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.104 -12.528 -10.224 1.00 0.00 H new ATOM 63 N ASN A 5 0.081 -11.480 -7.747 1.00 0.00 N ATOM 64 CA ASN A 5 0.975 -10.987 -6.706 1.00 0.00 C ATOM 65 C ASN A 5 1.184 -9.482 -6.836 1.00 0.00 C ATOM 66 O ASN A 5 1.722 -8.838 -5.935 1.00 0.00 O ATOM 67 CB ASN A 5 2.322 -11.709 -6.778 1.00 0.00 C ATOM 68 CG ASN A 5 2.175 -13.173 -7.148 1.00 0.00 C ATOM 69 OD1 ASN A 5 2.059 -14.036 -6.278 1.00 0.00 O ATOM 70 ND2 ASN A 5 2.177 -13.458 -8.445 1.00 0.00 N ATOM 0 H ASN A 5 0.531 -12.075 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 5 0.513 -11.189 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.958 -11.214 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.826 -11.629 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.080 -14.425 -8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.276 -12.710 -9.131 1.00 0.00 H new ATOM 77 N LYS A 6 0.755 -8.925 -7.964 1.00 0.00 N ATOM 78 CA LYS A 6 0.893 -7.496 -8.214 1.00 0.00 C ATOM 79 C LYS A 6 -0.441 -6.780 -8.027 1.00 0.00 C ATOM 80 O LYS A 6 -0.481 -5.571 -7.797 1.00 0.00 O ATOM 81 CB LYS A 6 1.421 -7.253 -9.629 1.00 0.00 C ATOM 82 CG LYS A 6 2.586 -6.279 -9.685 1.00 0.00 C ATOM 83 CD LYS A 6 3.788 -6.889 -10.387 1.00 0.00 C ATOM 84 CE LYS A 6 4.338 -8.079 -9.618 1.00 0.00 C ATOM 85 NZ LYS A 6 5.796 -8.267 -9.855 1.00 0.00 N ATOM 0 H LYS A 6 0.308 -9.443 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 6 1.605 -7.094 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.733 -8.204 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.610 -6.872 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.279 -5.373 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.865 -5.985 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.503 -7.204 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.567 -6.135 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.159 -7.937 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.803 -8.981 -9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.133 -9.088 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.965 -8.428 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.310 -7.416 -9.549 1.00 0.00 H new ATOM 99 N ALA A 7 -1.530 -7.533 -8.128 1.00 0.00 N ATOM 100 CA ALA A 7 -2.866 -6.971 -7.966 1.00 0.00 C ATOM 101 C ALA A 7 -2.936 -6.067 -6.741 1.00 0.00 C ATOM 102 O ALA A 7 -2.292 -6.329 -5.724 1.00 0.00 O ATOM 103 CB ALA A 7 -3.898 -8.084 -7.864 1.00 0.00 C ATOM 0 H ALA A 7 -1.514 -8.534 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.088 -6.365 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.891 -7.650 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.874 -8.687 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.670 -8.714 -7.004 1.00 0.00 H new ATOM 109 N THR A 8 -3.723 -5.000 -6.843 1.00 0.00 N ATOM 110 CA THR A 8 -3.876 -4.056 -5.742 1.00 0.00 C ATOM 111 C THR A 8 -5.316 -3.568 -5.634 1.00 0.00 C ATOM 112 O THR A 8 -6.115 -3.753 -6.552 1.00 0.00 O ATOM 113 CB THR A 8 -2.945 -2.840 -5.912 1.00 0.00 C ATOM 114 OG1 THR A 8 -3.652 -1.767 -6.544 1.00 0.00 O ATOM 115 CG2 THR A 8 -1.722 -3.206 -6.741 1.00 0.00 C ATOM 0 H THR A 8 -4.264 -4.768 -7.676 1.00 0.00 H new ATOM 0 HA THR A 8 -3.605 -4.587 -4.829 1.00 0.00 H new ATOM 0 HB THR A 8 -2.613 -2.524 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.509 -1.807 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.080 -2.332 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.170 -4.003 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.039 -3.545 -7.727 1.00 0.00 H new ATOM 123 N ALA A 9 -5.640 -2.942 -4.506 1.00 0.00 N ATOM 124 CA ALA A 9 -6.984 -2.425 -4.280 1.00 0.00 C ATOM 125 C ALA A 9 -6.967 -1.278 -3.275 1.00 0.00 C ATOM 126 O ALA A 9 -6.206 -1.296 -2.308 1.00 0.00 O ATOM 127 CB ALA A 9 -7.903 -3.538 -3.798 1.00 0.00 C ATOM 0 H ALA A 9 -4.991 -2.781 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.364 -2.040 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.903 -3.138 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.946 -4.325 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.518 -3.949 -2.865 1.00 0.00 H new ATOM 133 N THR A 10 -7.813 -0.280 -3.511 1.00 0.00 N ATOM 134 CA THR A 10 -7.895 0.877 -2.629 1.00 0.00 C ATOM 135 C THR A 10 -9.345 1.259 -2.355 1.00 0.00 C ATOM 136 O THR A 10 -10.267 0.700 -2.949 1.00 0.00 O ATOM 137 CB THR A 10 -7.160 2.092 -3.224 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.044 2.829 -4.077 1.00 0.00 O ATOM 139 CG2 THR A 10 -5.937 1.651 -4.014 1.00 0.00 C ATOM 0 H THR A 10 -8.451 -0.250 -4.306 1.00 0.00 H new ATOM 0 HA THR A 10 -7.414 0.594 -1.693 1.00 0.00 H new ATOM 0 HB THR A 10 -6.832 2.729 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.943 3.788 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.434 2.526 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.253 1.115 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.247 0.995 -4.828 1.00 0.00 H new ATOM 147 N SER A 11 -9.541 2.216 -1.452 1.00 0.00 N ATOM 148 CA SER A 11 -10.879 2.670 -1.098 1.00 0.00 C ATOM 149 C SER A 11 -11.368 3.735 -2.075 1.00 0.00 C ATOM 150 O SER A 11 -12.529 3.732 -2.485 1.00 0.00 O ATOM 151 CB SER A 11 -10.892 3.226 0.327 1.00 0.00 C ATOM 152 OG SER A 11 -11.856 4.255 0.465 1.00 0.00 O ATOM 0 H SER A 11 -8.789 2.691 -0.953 1.00 0.00 H new ATOM 0 HA SER A 11 -11.552 1.814 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.109 2.423 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.904 3.613 0.579 1.00 0.00 H new ATOM 0 HG SER A 11 -11.845 4.592 1.385 1.00 0.00 H new ATOM 158 N SER A 12 -10.473 4.646 -2.444 1.00 0.00 N ATOM 159 CA SER A 12 -10.812 5.720 -3.370 1.00 0.00 C ATOM 160 C SER A 12 -9.983 5.619 -4.648 1.00 0.00 C ATOM 161 O SER A 12 -8.813 5.237 -4.612 1.00 0.00 O ATOM 162 CB SER A 12 -10.587 7.082 -2.710 1.00 0.00 C ATOM 163 OG SER A 12 -11.729 7.910 -2.845 1.00 0.00 O ATOM 0 H SER A 12 -9.507 4.662 -2.116 1.00 0.00 H new ATOM 0 HA SER A 12 -11.865 5.620 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.357 6.944 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.724 7.571 -3.163 1.00 0.00 H new ATOM 0 HG SER A 12 -11.560 8.773 -2.413 1.00 0.00 H new ATOM 169 N ILE A 13 -10.599 5.963 -5.773 1.00 0.00 N ATOM 170 CA ILE A 13 -9.919 5.912 -7.061 1.00 0.00 C ATOM 171 C ILE A 13 -10.625 6.789 -8.090 1.00 0.00 C ATOM 172 O ILE A 13 -11.851 6.887 -8.100 1.00 0.00 O ATOM 173 CB ILE A 13 -9.840 4.471 -7.600 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.082 4.440 -8.928 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.237 3.891 -7.768 1.00 0.00 C ATOM 176 CD1 ILE A 13 -8.996 3.061 -9.544 1.00 0.00 C ATOM 0 H ILE A 13 -11.567 6.280 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.908 6.287 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.297 3.859 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.571 5.113 -9.632 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.073 4.822 -8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.165 2.873 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.746 3.882 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.803 4.502 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.445 3.116 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.480 2.388 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.001 2.684 -9.734 1.00 0.00 H new ATOM 188 N GLU A 14 -9.840 7.423 -8.957 1.00 0.00 N ATOM 189 CA GLU A 14 -10.390 8.291 -9.990 1.00 0.00 C ATOM 190 C GLU A 14 -11.350 7.521 -10.893 1.00 0.00 C ATOM 191 O GLU A 14 -12.492 7.933 -11.100 1.00 0.00 O ATOM 192 CB GLU A 14 -9.264 8.900 -10.828 1.00 0.00 C ATOM 193 CG GLU A 14 -8.523 10.025 -10.125 1.00 0.00 C ATOM 194 CD GLU A 14 -9.381 11.261 -9.937 1.00 0.00 C ATOM 195 OE1 GLU A 14 -10.576 11.215 -10.296 1.00 0.00 O ATOM 196 OE2 GLU A 14 -8.856 12.275 -9.432 1.00 0.00 O ATOM 0 H GLU A 14 -8.823 7.351 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.943 9.092 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.553 8.116 -11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.681 9.278 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.178 9.675 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.636 10.287 -10.702 1.00 0.00 H new ATOM 203 N THR A 15 -10.879 6.399 -11.429 1.00 0.00 N ATOM 204 CA THR A 15 -11.694 5.572 -12.309 1.00 0.00 C ATOM 205 C THR A 15 -12.712 4.760 -11.517 1.00 0.00 C ATOM 206 O THR A 15 -12.905 4.985 -10.323 1.00 0.00 O ATOM 207 CB THR A 15 -10.823 4.611 -13.142 1.00 0.00 C ATOM 208 OG1 THR A 15 -10.325 3.558 -12.310 1.00 0.00 O ATOM 209 CG2 THR A 15 -9.660 5.353 -13.781 1.00 0.00 C ATOM 0 H THR A 15 -9.937 6.043 -11.269 1.00 0.00 H new ATOM 0 HA THR A 15 -12.220 6.250 -12.981 1.00 0.00 H new ATOM 0 HB THR A 15 -11.441 4.187 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.774 2.950 -12.846 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.059 4.655 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.043 6.136 -14.435 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.042 5.801 -13.003 1.00 0.00 H new ATOM 217 N ALA A 16 -13.359 3.814 -12.188 1.00 0.00 N ATOM 218 CA ALA A 16 -14.356 2.966 -11.545 1.00 0.00 C ATOM 219 C ALA A 16 -13.724 1.686 -11.009 1.00 0.00 C ATOM 220 O ALA A 16 -14.288 0.601 -11.142 1.00 0.00 O ATOM 221 CB ALA A 16 -15.476 2.636 -12.519 1.00 0.00 C ATOM 0 H ALA A 16 -13.211 3.615 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.774 3.515 -10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.213 2.002 -12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.954 3.558 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.065 2.111 -13.381 1.00 0.00 H new ATOM 227 N GLY A 17 -12.548 1.821 -10.403 1.00 0.00 N ATOM 228 CA GLY A 17 -11.858 0.666 -9.857 1.00 0.00 C ATOM 229 C GLY A 17 -11.319 -0.251 -10.937 1.00 0.00 C ATOM 230 O GLY A 17 -12.059 -1.055 -11.506 1.00 0.00 O ATOM 0 H GLY A 17 -12.061 2.709 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.035 1.003 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.541 0.107 -9.218 1.00 0.00 H new ATOM 234 N HIS A 18 -10.026 -0.132 -11.222 1.00 0.00 N ATOM 235 CA HIS A 18 -9.389 -0.956 -12.243 1.00 0.00 C ATOM 236 C HIS A 18 -7.919 -0.579 -12.406 1.00 0.00 C ATOM 237 O HIS A 18 -7.091 -1.415 -12.763 1.00 0.00 O ATOM 238 CB HIS A 18 -10.117 -0.806 -13.578 1.00 0.00 C ATOM 239 CG HIS A 18 -10.573 -2.109 -14.162 1.00 0.00 C ATOM 240 ND1 HIS A 18 -9.880 -2.775 -15.149 1.00 0.00 N ATOM 241 CD2 HIS A 18 -11.659 -2.869 -13.889 1.00 0.00 C ATOM 242 CE1 HIS A 18 -10.520 -3.887 -15.460 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.604 -3.968 -14.709 1.00 0.00 N ATOM 0 H HIS A 18 -9.399 0.527 -10.760 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.446 -1.996 -11.922 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.982 -0.157 -13.440 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.456 -0.310 -14.289 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.426 -2.651 -13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.210 -4.608 -16.202 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.288 -4.724 -14.735 1.00 0.00 H new ATOM 251 N GLU A 19 -7.606 0.686 -12.143 1.00 0.00 N ATOM 252 CA GLU A 19 -6.236 1.173 -12.263 1.00 0.00 C ATOM 253 C GLU A 19 -5.327 0.500 -11.238 1.00 0.00 C ATOM 254 O GLU A 19 -4.116 0.408 -11.433 1.00 0.00 O ATOM 255 CB GLU A 19 -6.193 2.692 -12.079 1.00 0.00 C ATOM 256 CG GLU A 19 -5.538 3.426 -13.236 1.00 0.00 C ATOM 257 CD GLU A 19 -5.226 4.874 -12.907 1.00 0.00 C ATOM 258 OE1 GLU A 19 -5.463 5.284 -11.751 1.00 0.00 O ATOM 259 OE2 GLU A 19 -4.747 5.597 -13.805 1.00 0.00 O ATOM 0 H GLU A 19 -8.281 1.391 -11.846 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.876 0.924 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.210 3.063 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.653 2.923 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.616 2.913 -13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.196 3.388 -14.104 1.00 0.00 H new ATOM 266 N GLY A 20 -5.922 0.032 -10.145 1.00 0.00 N ATOM 267 CA GLY A 20 -5.153 -0.626 -9.106 1.00 0.00 C ATOM 268 C GLY A 20 -4.592 -1.960 -9.556 1.00 0.00 C ATOM 269 O GLY A 20 -3.462 -2.312 -9.217 1.00 0.00 O ATOM 0 H GLY A 20 -6.923 0.097 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.334 0.024 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.785 -0.778 -8.231 1.00 0.00 H new ATOM 273 N ASP A 21 -5.382 -2.705 -10.321 1.00 0.00 N ATOM 274 CA ASP A 21 -4.959 -4.008 -10.817 1.00 0.00 C ATOM 275 C ASP A 21 -3.996 -3.856 -11.990 1.00 0.00 C ATOM 276 O ASP A 21 -3.468 -4.841 -12.506 1.00 0.00 O ATOM 277 CB ASP A 21 -6.173 -4.835 -11.242 1.00 0.00 C ATOM 278 CG ASP A 21 -6.907 -4.224 -12.419 1.00 0.00 C ATOM 279 OD1 ASP A 21 -6.326 -4.176 -13.522 1.00 0.00 O ATOM 280 OD2 ASP A 21 -8.065 -3.793 -12.236 1.00 0.00 O ATOM 0 H ASP A 21 -6.320 -2.428 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.441 -4.526 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.849 -5.843 -11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.858 -4.929 -10.399 1.00 0.00 H new ATOM 285 N LYS A 22 -3.773 -2.615 -12.409 1.00 0.00 N ATOM 286 CA LYS A 22 -2.874 -2.332 -13.521 1.00 0.00 C ATOM 287 C LYS A 22 -1.484 -2.904 -13.258 1.00 0.00 C ATOM 288 O LYS A 22 -0.702 -3.112 -14.184 1.00 0.00 O ATOM 289 CB LYS A 22 -2.780 -0.823 -13.756 1.00 0.00 C ATOM 290 CG LYS A 22 -2.360 -0.451 -15.168 1.00 0.00 C ATOM 291 CD LYS A 22 -2.671 1.003 -15.478 1.00 0.00 C ATOM 292 CE LYS A 22 -2.553 1.293 -16.966 1.00 0.00 C ATOM 293 NZ LYS A 22 -1.477 2.281 -17.255 1.00 0.00 N ATOM 0 H LYS A 22 -4.203 -1.788 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.280 -2.808 -14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.748 -0.370 -13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.067 -0.398 -13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.292 -0.629 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.874 -1.094 -15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.679 1.241 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.988 1.648 -14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.348 0.366 -17.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.504 1.673 -17.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.313 2.326 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.765 3.219 -16.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.601 1.990 -16.777 1.00 0.00 H new ATOM 307 N ALA A 23 -1.185 -3.157 -11.987 1.00 0.00 N ATOM 308 CA ALA A 23 0.108 -3.708 -11.603 1.00 0.00 C ATOM 309 C ALA A 23 0.368 -5.039 -12.300 1.00 0.00 C ATOM 310 O ALA A 23 1.507 -5.499 -12.378 1.00 0.00 O ATOM 311 CB ALA A 23 0.181 -3.879 -10.093 1.00 0.00 C ATOM 0 H ALA A 23 -1.821 -2.989 -11.207 1.00 0.00 H new ATOM 0 HA ALA A 23 0.881 -3.007 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.152 -4.291 -9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.049 -2.911 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.606 -4.558 -9.765 1.00 0.00 H new ATOM 317 N VAL A 24 -0.697 -5.653 -12.807 1.00 0.00 N ATOM 318 CA VAL A 24 -0.583 -6.931 -13.500 1.00 0.00 C ATOM 319 C VAL A 24 0.603 -6.935 -14.458 1.00 0.00 C ATOM 320 O VAL A 24 1.388 -7.882 -14.486 1.00 0.00 O ATOM 321 CB VAL A 24 -1.867 -7.258 -14.287 1.00 0.00 C ATOM 322 CG1 VAL A 24 -2.974 -7.702 -13.344 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.306 -6.057 -15.111 1.00 0.00 C ATOM 0 H VAL A 24 -1.647 -5.286 -12.751 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.429 -7.693 -12.736 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.654 -8.081 -14.970 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.872 -7.928 -13.918 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.655 -8.593 -12.803 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.189 -6.904 -12.634 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.214 -6.305 -15.661 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.501 -5.213 -14.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.517 -5.791 -15.815 1.00 0.00 H new ATOM 333 N ASP A 25 0.727 -5.868 -15.241 1.00 0.00 N ATOM 334 CA ASP A 25 1.818 -5.746 -16.199 1.00 0.00 C ATOM 335 C ASP A 25 3.150 -6.126 -15.558 1.00 0.00 C ATOM 336 O ASP A 25 3.945 -6.860 -16.144 1.00 0.00 O ATOM 337 CB ASP A 25 1.891 -4.320 -16.745 1.00 0.00 C ATOM 338 CG ASP A 25 2.123 -4.283 -18.243 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.202 -4.727 -18.686 1.00 0.00 O ATOM 340 OD2 ASP A 25 1.226 -3.811 -18.971 1.00 0.00 O ATOM 0 H ASP A 25 0.085 -5.076 -15.230 1.00 0.00 H new ATOM 0 HA ASP A 25 1.622 -6.432 -17.023 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.964 -3.797 -16.511 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.695 -3.783 -16.243 1.00 0.00 H new ATOM 345 N GLY A 26 3.386 -5.621 -14.352 1.00 0.00 N ATOM 346 CA GLY A 26 4.622 -5.917 -13.652 1.00 0.00 C ATOM 347 C GLY A 26 5.787 -5.089 -14.156 1.00 0.00 C ATOM 348 O GLY A 26 6.934 -5.533 -14.123 1.00 0.00 O ATOM 0 H GLY A 26 2.743 -5.012 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.485 -5.734 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.856 -6.975 -13.767 1.00 0.00 H new ATOM 352 N ASN A 27 5.493 -3.881 -14.626 1.00 0.00 N ATOM 353 CA ASN A 27 6.525 -2.988 -15.142 1.00 0.00 C ATOM 354 C ASN A 27 6.092 -1.530 -15.023 1.00 0.00 C ATOM 355 O ASN A 27 5.107 -1.217 -14.356 1.00 0.00 O ATOM 356 CB ASN A 27 6.834 -3.324 -16.602 1.00 0.00 C ATOM 357 CG ASN A 27 8.324 -3.386 -16.877 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.055 -2.429 -16.622 1.00 0.00 O ATOM 359 ND2 ASN A 27 8.781 -4.517 -17.402 1.00 0.00 N ATOM 0 H ASN A 27 4.548 -3.498 -14.660 1.00 0.00 H new ATOM 0 HA ASN A 27 7.426 -3.130 -14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.380 -4.282 -16.856 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.379 -2.574 -17.249 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.774 -4.618 -17.610 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.139 -5.285 -17.597 1.00 0.00 H new ATOM 366 N ALA A 28 6.836 -0.643 -15.677 1.00 0.00 N ATOM 367 CA ALA A 28 6.528 0.781 -15.647 1.00 0.00 C ATOM 368 C ALA A 28 5.196 1.069 -16.330 1.00 0.00 C ATOM 369 O ALA A 28 4.649 2.165 -16.209 1.00 0.00 O ATOM 370 CB ALA A 28 7.644 1.575 -16.308 1.00 0.00 C ATOM 0 H ALA A 28 7.656 -0.886 -16.233 1.00 0.00 H new ATOM 0 HA ALA A 28 6.446 1.088 -14.604 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.401 2.637 -16.279 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.579 1.402 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.753 1.256 -17.345 1.00 0.00 H new ATOM 376 N ALA A 29 4.677 0.078 -17.047 1.00 0.00 N ATOM 377 CA ALA A 29 3.407 0.225 -17.748 1.00 0.00 C ATOM 378 C ALA A 29 2.250 0.365 -16.765 1.00 0.00 C ATOM 379 O ALA A 29 1.136 0.724 -17.147 1.00 0.00 O ATOM 380 CB ALA A 29 3.176 -0.960 -18.675 1.00 0.00 C ATOM 0 H ALA A 29 5.116 -0.836 -17.158 1.00 0.00 H new ATOM 0 HA ALA A 29 3.453 1.136 -18.345 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.224 -0.837 -19.192 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.982 -1.012 -19.407 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.156 -1.880 -18.091 1.00 0.00 H new ATOM 386 N THR A 30 2.521 0.078 -15.496 1.00 0.00 N ATOM 387 CA THR A 30 1.502 0.169 -14.458 1.00 0.00 C ATOM 388 C THR A 30 1.627 1.474 -13.678 1.00 0.00 C ATOM 389 O THR A 30 2.714 1.838 -13.230 1.00 0.00 O ATOM 390 CB THR A 30 1.593 -1.013 -13.474 1.00 0.00 C ATOM 391 OG1 THR A 30 2.509 -0.702 -12.418 1.00 0.00 O ATOM 392 CG2 THR A 30 2.047 -2.277 -14.189 1.00 0.00 C ATOM 0 H THR A 30 3.438 -0.219 -15.162 1.00 0.00 H new ATOM 0 HA THR A 30 0.536 0.139 -14.961 1.00 0.00 H new ATOM 0 HB THR A 30 0.602 -1.186 -13.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.055 0.070 -12.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.104 -3.098 -13.475 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.333 -2.527 -14.974 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.029 -2.112 -14.631 1.00 0.00 H new ATOM 400 N ARG A 31 0.507 2.172 -13.520 1.00 0.00 N ATOM 401 CA ARG A 31 0.492 3.437 -12.795 1.00 0.00 C ATOM 402 C ARG A 31 -0.726 3.524 -11.880 1.00 0.00 C ATOM 403 O ARG A 31 -1.661 2.733 -11.999 1.00 0.00 O ATOM 404 CB ARG A 31 0.494 4.611 -13.775 1.00 0.00 C ATOM 405 CG ARG A 31 -0.374 4.381 -15.002 1.00 0.00 C ATOM 406 CD ARG A 31 -0.712 5.690 -15.700 1.00 0.00 C ATOM 407 NE ARG A 31 -2.027 5.648 -16.334 1.00 0.00 N ATOM 408 CZ ARG A 31 -2.497 6.617 -17.113 1.00 0.00 C ATOM 409 NH1 ARG A 31 -1.764 7.695 -17.351 1.00 0.00 N ATOM 410 NH2 ARG A 31 -3.703 6.507 -17.654 1.00 0.00 N ATOM 0 H ARG A 31 -0.401 1.883 -13.884 1.00 0.00 H new ATOM 0 HA ARG A 31 1.391 3.486 -12.180 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.148 5.506 -13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.518 4.804 -14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.144 3.720 -15.697 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.294 3.876 -14.708 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.684 6.505 -14.976 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.047 5.906 -16.452 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.616 4.832 -16.170 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.836 7.783 -16.936 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.127 8.437 -17.949 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.270 5.679 -17.472 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.064 7.251 -18.252 1.00 0.00 H new ATOM 424 N TRP A 32 -0.707 4.490 -10.969 1.00 0.00 N ATOM 425 CA TRP A 32 -1.809 4.681 -10.034 1.00 0.00 C ATOM 426 C TRP A 32 -2.122 6.162 -9.857 1.00 0.00 C ATOM 427 O TRP A 32 -1.220 6.981 -9.682 1.00 0.00 O ATOM 428 CB TRP A 32 -1.472 4.053 -8.681 1.00 0.00 C ATOM 429 CG TRP A 32 -2.570 4.194 -7.671 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.483 4.785 -6.443 1.00 0.00 C ATOM 431 CD2 TRP A 32 -3.919 3.733 -7.801 1.00 0.00 C ATOM 432 NE1 TRP A 32 -3.696 4.720 -5.801 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.594 4.080 -6.614 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.623 3.063 -8.806 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -5.938 3.777 -6.406 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -5.956 2.764 -8.597 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.602 3.121 -7.407 1.00 0.00 C ATOM 0 H TRP A 32 0.060 5.153 -10.858 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.691 4.189 -10.445 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.253 2.995 -8.824 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.566 4.516 -8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -1.591 5.237 -6.036 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.895 5.088 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.135 2.784 -9.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.438 4.050 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.510 2.245 -9.366 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.645 2.874 -7.276 1.00 0.00 H new ATOM 448 N ALA A 33 -3.407 6.502 -9.902 1.00 0.00 N ATOM 449 CA ALA A 33 -3.839 7.884 -9.743 1.00 0.00 C ATOM 450 C ALA A 33 -5.095 7.972 -8.884 1.00 0.00 C ATOM 451 O ALA A 33 -6.165 8.345 -9.367 1.00 0.00 O ATOM 452 CB ALA A 33 -4.082 8.520 -11.104 1.00 0.00 C ATOM 0 H ALA A 33 -4.167 5.837 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.045 8.431 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.404 9.553 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.160 8.500 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.856 7.964 -11.633 1.00 0.00 H new ATOM 458 N SER A 34 -4.960 7.626 -7.607 1.00 0.00 N ATOM 459 CA SER A 34 -6.086 7.661 -6.682 1.00 0.00 C ATOM 460 C SER A 34 -6.716 9.050 -6.646 1.00 0.00 C ATOM 461 O SER A 34 -6.017 10.058 -6.538 1.00 0.00 O ATOM 462 CB SER A 34 -5.631 7.259 -5.278 1.00 0.00 C ATOM 463 OG SER A 34 -6.433 6.209 -4.764 1.00 0.00 O ATOM 0 H SER A 34 -4.081 7.318 -7.190 1.00 0.00 H new ATOM 0 HA SER A 34 -6.835 6.950 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.588 6.944 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.685 8.121 -4.614 1.00 0.00 H new ATOM 0 HG SER A 34 -7.367 6.355 -5.021 1.00 0.00 H new ATOM 469 N ALA A 35 -8.041 9.095 -6.739 1.00 0.00 N ATOM 470 CA ALA A 35 -8.767 10.359 -6.716 1.00 0.00 C ATOM 471 C ALA A 35 -8.387 11.187 -5.493 1.00 0.00 C ATOM 472 O ALA A 35 -7.814 10.669 -4.534 1.00 0.00 O ATOM 473 CB ALA A 35 -10.267 10.105 -6.739 1.00 0.00 C ATOM 0 H ALA A 35 -8.634 8.270 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.492 10.926 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.798 11.057 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.530 9.560 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.550 9.516 -5.866 1.00 0.00 H new ATOM 479 N TYR A 36 -8.709 12.475 -5.534 1.00 0.00 N ATOM 480 CA TYR A 36 -8.398 13.375 -4.431 1.00 0.00 C ATOM 481 C TYR A 36 -9.579 13.488 -3.470 1.00 0.00 C ATOM 482 O TYR A 36 -10.675 13.010 -3.758 1.00 0.00 O ATOM 483 CB TYR A 36 -8.028 14.760 -4.964 1.00 0.00 C ATOM 484 CG TYR A 36 -9.046 15.333 -5.924 1.00 0.00 C ATOM 485 CD1 TYR A 36 -10.299 15.734 -5.479 1.00 0.00 C ATOM 486 CD2 TYR A 36 -8.755 15.472 -7.275 1.00 0.00 C ATOM 487 CE1 TYR A 36 -11.234 16.257 -6.353 1.00 0.00 C ATOM 488 CE2 TYR A 36 -9.681 15.995 -8.155 1.00 0.00 C ATOM 489 CZ TYR A 36 -10.920 16.385 -7.689 1.00 0.00 C ATOM 490 OH TYR A 36 -11.846 16.905 -8.564 1.00 0.00 O ATOM 0 H TYR A 36 -9.185 12.919 -6.319 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.548 12.962 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.909 15.443 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.062 14.701 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.547 15.636 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.787 15.165 -7.643 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.204 16.563 -5.991 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.437 16.098 -9.202 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.466 16.928 -9.467 1.00 0.00 H new ATOM 500 N GLY A 37 -9.345 14.125 -2.327 1.00 0.00 N ATOM 501 CA GLY A 37 -10.397 14.290 -1.340 1.00 0.00 C ATOM 502 C GLY A 37 -10.719 12.999 -0.615 1.00 0.00 C ATOM 503 O GLY A 37 -10.158 11.949 -0.925 1.00 0.00 O ATOM 0 H GLY A 37 -8.446 14.530 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.095 15.045 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.296 14.662 -1.831 1.00 0.00 H new ATOM 507 N ALA A 38 -11.625 13.076 0.355 1.00 0.00 N ATOM 508 CA ALA A 38 -12.021 11.905 1.125 1.00 0.00 C ATOM 509 C ALA A 38 -10.850 11.360 1.937 1.00 0.00 C ATOM 510 O ALA A 38 -10.892 10.230 2.423 1.00 0.00 O ATOM 511 CB ALA A 38 -12.573 10.828 0.203 1.00 0.00 C ATOM 0 H ALA A 38 -12.098 13.938 0.625 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.803 12.207 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.865 9.959 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.443 11.215 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.808 10.538 -0.517 1.00 0.00 H new ATOM 517 N SER A 39 -9.807 12.171 2.078 1.00 0.00 N ATOM 518 CA SER A 39 -8.622 11.769 2.828 1.00 0.00 C ATOM 519 C SER A 39 -8.911 11.736 4.326 1.00 0.00 C ATOM 520 O SER A 39 -9.880 12.322 4.809 1.00 0.00 O ATOM 521 CB SER A 39 -7.462 12.724 2.541 1.00 0.00 C ATOM 522 OG SER A 39 -7.196 13.553 3.659 1.00 0.00 O ATOM 0 H SER A 39 -9.758 13.110 1.683 1.00 0.00 H new ATOM 0 HA SER A 39 -8.344 10.765 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.570 12.152 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.701 13.341 1.675 1.00 0.00 H new ATOM 0 HG SER A 39 -7.840 14.292 3.679 1.00 0.00 H new ATOM 528 N PRO A 40 -8.051 11.035 5.078 1.00 0.00 N ATOM 529 CA PRO A 40 -6.894 10.332 4.513 1.00 0.00 C ATOM 530 C PRO A 40 -7.303 9.124 3.678 1.00 0.00 C ATOM 531 O PRO A 40 -8.451 8.684 3.727 1.00 0.00 O ATOM 532 CB PRO A 40 -6.110 9.888 5.750 1.00 0.00 C ATOM 533 CG PRO A 40 -7.129 9.799 6.834 1.00 0.00 C ATOM 534 CD PRO A 40 -8.141 10.872 6.539 1.00 0.00 C ATOM 0 HA PRO A 40 -6.322 10.966 3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.622 8.927 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.327 10.604 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.597 8.815 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.673 9.951 7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.143 10.575 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.907 11.799 7.062 1.00 0.00 H new ATOM 542 N GLN A 41 -6.354 8.591 2.914 1.00 0.00 N ATOM 543 CA GLN A 41 -6.617 7.432 2.069 1.00 0.00 C ATOM 544 C GLN A 41 -5.773 6.238 2.505 1.00 0.00 C ATOM 545 O GLN A 41 -5.149 6.261 3.565 1.00 0.00 O ATOM 546 CB GLN A 41 -6.328 7.767 0.604 1.00 0.00 C ATOM 547 CG GLN A 41 -7.386 7.251 -0.357 1.00 0.00 C ATOM 548 CD GLN A 41 -8.051 8.362 -1.146 1.00 0.00 C ATOM 549 OE1 GLN A 41 -7.736 8.581 -2.317 1.00 0.00 O ATOM 550 NE2 GLN A 41 -8.974 9.070 -0.509 1.00 0.00 N ATOM 0 H GLN A 41 -5.398 8.943 2.863 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.669 7.168 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.247 8.849 0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.361 7.346 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.929 6.543 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.145 6.704 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.203 8.854 0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.455 9.831 -0.989 1.00 0.00 H new ATOM 559 N TRP A 42 -5.760 5.197 1.680 1.00 0.00 N ATOM 560 CA TRP A 42 -4.994 3.993 1.981 1.00 0.00 C ATOM 561 C TRP A 42 -5.009 3.030 0.801 1.00 0.00 C ATOM 562 O TRP A 42 -5.896 3.091 -0.052 1.00 0.00 O ATOM 563 CB TRP A 42 -5.557 3.304 3.226 1.00 0.00 C ATOM 564 CG TRP A 42 -7.031 3.054 3.150 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.025 3.990 3.198 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.680 1.784 3.016 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.252 3.378 3.102 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.068 2.026 2.988 1.00 0.00 C ATOM 569 CE3 TRP A 42 -7.223 0.467 2.915 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.999 0.999 2.864 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -8.150 -0.551 2.792 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.524 -0.281 2.767 1.00 0.00 C ATOM 0 H TRP A 42 -6.271 5.162 0.798 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.962 4.287 2.172 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.042 2.355 3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.345 3.919 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.870 5.054 3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.154 3.854 3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.165 0.249 2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.059 1.205 2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.809 -1.573 2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.223 -1.099 2.669 1.00 0.00 H new ATOM 583 N ILE A 43 -4.023 2.139 0.756 1.00 0.00 N ATOM 584 CA ILE A 43 -3.924 1.161 -0.320 1.00 0.00 C ATOM 585 C ILE A 43 -3.364 -0.162 0.189 1.00 0.00 C ATOM 586 O ILE A 43 -2.403 -0.186 0.959 1.00 0.00 O ATOM 587 CB ILE A 43 -3.035 1.676 -1.468 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.009 0.663 -2.615 1.00 0.00 C ATOM 589 CG2 ILE A 43 -1.626 1.949 -0.964 1.00 0.00 C ATOM 590 CD1 ILE A 43 -2.778 1.292 -3.971 1.00 0.00 C ATOM 0 H ILE A 43 -3.281 2.075 1.453 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.934 1.003 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.454 2.610 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.224 -0.069 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.954 0.120 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.009 2.312 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.661 2.702 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.197 1.029 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.772 0.516 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.576 2.004 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.819 1.811 -3.973 1.00 0.00 H new ATOM 602 N TYR A 44 -3.969 -1.261 -0.247 1.00 0.00 N ATOM 603 CA TYR A 44 -3.531 -2.589 0.165 1.00 0.00 C ATOM 604 C TYR A 44 -3.273 -3.477 -1.048 1.00 0.00 C ATOM 605 O TYR A 44 -3.878 -3.298 -2.104 1.00 0.00 O ATOM 606 CB TYR A 44 -4.580 -3.237 1.071 1.00 0.00 C ATOM 607 CG TYR A 44 -5.962 -3.287 0.458 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.762 -2.153 0.410 1.00 0.00 C ATOM 609 CD2 TYR A 44 -6.467 -4.468 -0.071 1.00 0.00 C ATOM 610 CE1 TYR A 44 -8.026 -2.193 -0.148 1.00 0.00 C ATOM 611 CE2 TYR A 44 -7.728 -4.518 -0.632 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.503 -3.377 -0.668 1.00 0.00 C ATOM 613 OH TYR A 44 -9.761 -3.423 -1.225 1.00 0.00 O ATOM 0 H TYR A 44 -4.764 -1.258 -0.886 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.599 -2.481 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.262 -4.251 1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.628 -2.685 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.390 -1.224 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.863 -5.363 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.636 -1.302 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.105 -5.444 -1.040 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.944 -4.331 -1.546 1.00 0.00 H new ATOM 623 N ILE A 45 -2.368 -4.438 -0.887 1.00 0.00 N ATOM 624 CA ILE A 45 -2.029 -5.356 -1.968 1.00 0.00 C ATOM 625 C ILE A 45 -2.246 -6.805 -1.545 1.00 0.00 C ATOM 626 O ILE A 45 -1.916 -7.192 -0.425 1.00 0.00 O ATOM 627 CB ILE A 45 -0.568 -5.178 -2.420 1.00 0.00 C ATOM 628 CG1 ILE A 45 -0.422 -3.907 -3.260 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.104 -6.396 -3.206 1.00 0.00 C ATOM 630 CD1 ILE A 45 0.983 -3.680 -3.773 1.00 0.00 C ATOM 0 H ILE A 45 -1.857 -4.601 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.690 -5.120 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 45 0.061 -5.080 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.105 -3.961 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.724 -3.048 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.931 -6.255 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.175 -7.284 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.735 -6.523 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.012 -2.762 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.669 -3.594 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.282 -4.520 -4.399 1.00 0.00 H new ATOM 642 N ASN A 46 -2.800 -7.603 -2.452 1.00 0.00 N ATOM 643 CA ASN A 46 -3.060 -9.011 -2.174 1.00 0.00 C ATOM 644 C ASN A 46 -2.200 -9.908 -3.059 1.00 0.00 C ATOM 645 O ASN A 46 -1.936 -9.585 -4.218 1.00 0.00 O ATOM 646 CB ASN A 46 -4.541 -9.330 -2.392 1.00 0.00 C ATOM 647 CG ASN A 46 -4.851 -10.800 -2.186 1.00 0.00 C ATOM 648 OD1 ASN A 46 -4.274 -11.452 -1.314 1.00 0.00 O ATOM 649 ND2 ASN A 46 -5.767 -11.330 -2.989 1.00 0.00 N ATOM 0 H ASN A 46 -3.077 -7.299 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.803 -9.204 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.143 -8.735 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.828 -9.039 -3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.018 -12.314 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.220 -10.753 -3.698 1.00 0.00 H new ATOM 656 N LEU A 47 -1.766 -11.034 -2.505 1.00 0.00 N ATOM 657 CA LEU A 47 -0.935 -11.979 -3.243 1.00 0.00 C ATOM 658 C LEU A 47 -1.699 -13.268 -3.531 1.00 0.00 C ATOM 659 O LEU A 47 -1.766 -13.721 -4.673 1.00 0.00 O ATOM 660 CB LEU A 47 0.338 -12.293 -2.456 1.00 0.00 C ATOM 661 CG LEU A 47 1.643 -12.277 -3.255 1.00 0.00 C ATOM 662 CD1 LEU A 47 2.458 -11.038 -2.920 1.00 0.00 C ATOM 663 CD2 LEU A 47 2.450 -13.538 -2.982 1.00 0.00 C ATOM 0 H LEU A 47 -1.975 -11.315 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.663 -11.519 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.425 -11.573 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.226 -13.277 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 47 1.397 -12.249 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.382 -11.044 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.882 -10.146 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.695 -11.035 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.375 -13.510 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.686 -13.596 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.868 -14.413 -3.272 1.00 0.00 H new ATOM 675 N GLY A 48 -2.276 -13.853 -2.485 1.00 0.00 N ATOM 676 CA GLY A 48 -3.031 -15.082 -2.646 1.00 0.00 C ATOM 677 C GLY A 48 -2.652 -16.133 -1.622 1.00 0.00 C ATOM 678 O GLY A 48 -3.362 -17.123 -1.447 1.00 0.00 O ATOM 0 H GLY A 48 -2.234 -13.498 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.096 -14.864 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.865 -15.478 -3.648 1.00 0.00 H new ATOM 682 N SER A 49 -1.530 -15.919 -0.943 1.00 0.00 N ATOM 683 CA SER A 49 -1.055 -16.857 0.066 1.00 0.00 C ATOM 684 C SER A 49 -0.156 -16.158 1.080 1.00 0.00 C ATOM 685 O SER A 49 0.214 -14.996 0.903 1.00 0.00 O ATOM 686 CB SER A 49 -0.297 -18.010 -0.596 1.00 0.00 C ATOM 687 OG SER A 49 0.487 -17.547 -1.683 1.00 0.00 O ATOM 0 H SER A 49 -0.932 -15.103 -1.074 1.00 0.00 H new ATOM 0 HA SER A 49 -1.923 -17.256 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.345 -18.497 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.005 -18.761 -0.948 1.00 0.00 H new ATOM 0 HG SER A 49 0.963 -18.302 -2.088 1.00 0.00 H new ATOM 693 N THR A 50 0.194 -16.873 2.144 1.00 0.00 N ATOM 694 CA THR A 50 1.050 -16.322 3.188 1.00 0.00 C ATOM 695 C THR A 50 2.509 -16.300 2.749 1.00 0.00 C ATOM 696 O THR A 50 3.076 -17.335 2.399 1.00 0.00 O ATOM 697 CB THR A 50 0.931 -17.127 4.496 1.00 0.00 C ATOM 698 OG1 THR A 50 0.120 -18.288 4.284 1.00 0.00 O ATOM 699 CG2 THR A 50 0.329 -16.277 5.603 1.00 0.00 C ATOM 0 H THR A 50 -0.102 -17.836 2.306 1.00 0.00 H new ATOM 0 HA THR A 50 0.712 -15.301 3.367 1.00 0.00 H new ATOM 0 HB THR A 50 1.932 -17.433 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.050 -18.795 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.255 -16.868 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.964 -15.410 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.665 -15.943 5.306 1.00 0.00 H new ATOM 707 N GLN A 51 3.111 -15.115 2.770 1.00 0.00 N ATOM 708 CA GLN A 51 4.505 -14.960 2.373 1.00 0.00 C ATOM 709 C GLN A 51 5.269 -14.115 3.386 1.00 0.00 C ATOM 710 O GLN A 51 4.728 -13.162 3.949 1.00 0.00 O ATOM 711 CB GLN A 51 4.595 -14.320 0.985 1.00 0.00 C ATOM 712 CG GLN A 51 4.484 -15.320 -0.154 1.00 0.00 C ATOM 713 CD GLN A 51 5.826 -15.899 -0.555 1.00 0.00 C ATOM 714 OE1 GLN A 51 6.865 -15.254 -0.401 1.00 0.00 O ATOM 715 NE2 GLN A 51 5.814 -17.122 -1.073 1.00 0.00 N ATOM 0 H GLN A 51 2.655 -14.249 3.058 1.00 0.00 H new ATOM 0 HA GLN A 51 4.958 -15.951 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.803 -13.578 0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.543 -13.789 0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.817 -16.130 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.030 -14.833 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.931 -17.621 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.688 -17.563 -1.361 1.00 0.00 H new ATOM 724 N SER A 52 6.530 -14.468 3.614 1.00 0.00 N ATOM 725 CA SER A 52 7.368 -13.744 4.564 1.00 0.00 C ATOM 726 C SER A 52 7.960 -12.493 3.921 1.00 0.00 C ATOM 727 O SER A 52 8.467 -12.539 2.800 1.00 0.00 O ATOM 728 CB SER A 52 8.490 -14.647 5.079 1.00 0.00 C ATOM 729 OG SER A 52 9.132 -15.321 4.011 1.00 0.00 O ATOM 0 H SER A 52 6.994 -15.251 3.154 1.00 0.00 H new ATOM 0 HA SER A 52 6.743 -13.439 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.219 -14.050 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.082 -15.375 5.780 1.00 0.00 H new ATOM 0 HG SER A 52 9.846 -15.890 4.366 1.00 0.00 H new ATOM 735 N ILE A 53 7.893 -11.379 4.641 1.00 0.00 N ATOM 736 CA ILE A 53 8.423 -10.115 4.142 1.00 0.00 C ATOM 737 C ILE A 53 9.458 -9.536 5.103 1.00 0.00 C ATOM 738 O ILE A 53 9.371 -9.730 6.314 1.00 0.00 O ATOM 739 CB ILE A 53 7.304 -9.080 3.928 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.208 -9.255 4.980 1.00 0.00 C ATOM 741 CG2 ILE A 53 6.725 -9.210 2.526 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.405 -7.997 5.231 1.00 0.00 C ATOM 0 H ILE A 53 7.478 -11.325 5.571 1.00 0.00 H new ATOM 0 HA ILE A 53 8.897 -10.328 3.184 1.00 0.00 H new ATOM 0 HB ILE A 53 7.728 -8.081 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.533 -10.050 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.663 -9.579 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.935 -8.472 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.511 -9.041 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.314 -10.211 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.646 -8.195 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.068 -7.206 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.921 -7.683 4.306 1.00 0.00 H new ATOM 754 N SER A 54 10.436 -8.825 4.551 1.00 0.00 N ATOM 755 CA SER A 54 11.488 -8.219 5.357 1.00 0.00 C ATOM 756 C SER A 54 11.697 -6.758 4.970 1.00 0.00 C ATOM 757 O SER A 54 11.914 -5.902 5.827 1.00 0.00 O ATOM 758 CB SER A 54 12.797 -8.994 5.192 1.00 0.00 C ATOM 759 OG SER A 54 13.325 -8.832 3.887 1.00 0.00 O ATOM 0 H SER A 54 10.521 -8.655 3.549 1.00 0.00 H new ATOM 0 HA SER A 54 11.179 -8.259 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.523 -8.648 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.624 -10.052 5.389 1.00 0.00 H new ATOM 0 HG SER A 54 14.162 -9.336 3.808 1.00 0.00 H new ATOM 765 N ARG A 55 11.630 -6.481 3.672 1.00 0.00 N ATOM 766 CA ARG A 55 11.813 -5.125 3.170 1.00 0.00 C ATOM 767 C ARG A 55 10.708 -4.757 2.183 1.00 0.00 C ATOM 768 O ARG A 55 10.428 -5.502 1.243 1.00 0.00 O ATOM 769 CB ARG A 55 13.180 -4.988 2.496 1.00 0.00 C ATOM 770 CG ARG A 55 13.401 -5.973 1.361 1.00 0.00 C ATOM 771 CD ARG A 55 14.881 -6.158 1.063 1.00 0.00 C ATOM 772 NE ARG A 55 15.123 -6.458 -0.345 1.00 0.00 N ATOM 773 CZ ARG A 55 16.336 -6.560 -0.876 1.00 0.00 C ATOM 774 NH1 ARG A 55 17.412 -6.388 -0.121 1.00 0.00 N ATOM 775 NH2 ARG A 55 16.475 -6.836 -2.167 1.00 0.00 N ATOM 0 H ARG A 55 11.450 -7.178 2.949 1.00 0.00 H new ATOM 0 HA ARG A 55 11.763 -4.441 4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.286 -3.974 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.960 -5.128 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.958 -6.935 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.890 -5.619 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.422 -5.253 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.276 -6.966 1.679 1.00 0.00 H new ATOM 0 HE ARG A 55 14.317 -6.597 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.310 -6.176 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.342 -6.467 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.650 -6.970 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.407 -6.914 -2.574 1.00 0.00 H new ATOM 789 N VAL A 56 10.084 -3.605 2.403 1.00 0.00 N ATOM 790 CA VAL A 56 9.011 -3.138 1.533 1.00 0.00 C ATOM 791 C VAL A 56 9.143 -1.646 1.251 1.00 0.00 C ATOM 792 O VAL A 56 9.119 -0.824 2.167 1.00 0.00 O ATOM 793 CB VAL A 56 7.628 -3.412 2.152 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.254 -4.879 1.997 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.608 -3.002 3.617 1.00 0.00 C ATOM 0 H VAL A 56 10.303 -2.977 3.177 1.00 0.00 H new ATOM 0 HA VAL A 56 9.098 -3.691 0.598 1.00 0.00 H new ATOM 0 HB VAL A 56 6.888 -2.814 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.274 -5.053 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.225 -5.137 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.996 -5.499 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.623 -3.203 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.359 -3.571 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.828 -1.938 3.700 1.00 0.00 H new ATOM 805 N LYS A 57 9.280 -1.301 -0.024 1.00 0.00 N ATOM 806 CA LYS A 57 9.414 0.093 -0.430 1.00 0.00 C ATOM 807 C LYS A 57 8.258 0.510 -1.335 1.00 0.00 C ATOM 808 O LYS A 57 7.891 -0.213 -2.263 1.00 0.00 O ATOM 809 CB LYS A 57 10.745 0.310 -1.154 1.00 0.00 C ATOM 810 CG LYS A 57 11.933 -0.311 -0.439 1.00 0.00 C ATOM 811 CD LYS A 57 12.488 -1.497 -1.210 1.00 0.00 C ATOM 812 CE LYS A 57 13.097 -2.532 -0.275 1.00 0.00 C ATOM 813 NZ LYS A 57 13.920 -3.530 -1.014 1.00 0.00 N ATOM 0 H LYS A 57 9.301 -1.968 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 57 9.391 0.710 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.676 -0.109 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.918 1.380 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.714 0.438 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.632 -0.632 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.692 -1.957 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.244 -1.153 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.716 -2.030 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.302 -3.046 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.665 -3.898 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.314 -4.314 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.357 -3.076 -1.841 1.00 0.00 H new ATOM 827 N LEU A 58 7.690 1.678 -1.060 1.00 0.00 N ATOM 828 CA LEU A 58 6.576 2.192 -1.851 1.00 0.00 C ATOM 829 C LEU A 58 6.766 3.673 -2.160 1.00 0.00 C ATOM 830 O LEU A 58 7.320 4.420 -1.355 1.00 0.00 O ATOM 831 CB LEU A 58 5.256 1.980 -1.107 1.00 0.00 C ATOM 832 CG LEU A 58 5.001 2.904 0.084 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.571 3.421 0.061 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.288 2.180 1.392 1.00 0.00 C ATOM 0 H LEU A 58 7.981 2.288 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 58 6.547 1.644 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.438 2.102 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.222 0.949 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 58 5.675 3.757 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.407 4.077 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.400 3.977 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.879 2.580 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.101 2.853 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.639 1.308 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.330 1.860 1.410 1.00 0.00 H new ATOM 846 N ASN A 59 6.300 4.092 -3.333 1.00 0.00 N ATOM 847 CA ASN A 59 6.416 5.485 -3.748 1.00 0.00 C ATOM 848 C ASN A 59 5.145 6.260 -3.416 1.00 0.00 C ATOM 849 O ASN A 59 4.067 5.680 -3.289 1.00 0.00 O ATOM 850 CB ASN A 59 6.700 5.569 -5.250 1.00 0.00 C ATOM 851 CG ASN A 59 8.178 5.732 -5.550 1.00 0.00 C ATOM 852 OD1 ASN A 59 8.981 4.840 -5.276 1.00 0.00 O ATOM 853 ND2 ASN A 59 8.543 6.876 -6.118 1.00 0.00 N ATOM 0 H ASN A 59 5.839 3.487 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 59 7.246 5.933 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.330 4.667 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.151 6.409 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.523 7.043 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.843 7.588 -6.327 1.00 0.00 H new ATOM 860 N TRP A 60 5.280 7.574 -3.277 1.00 0.00 N ATOM 861 CA TRP A 60 4.142 8.430 -2.960 1.00 0.00 C ATOM 862 C TRP A 60 4.011 9.560 -3.973 1.00 0.00 C ATOM 863 O TRP A 60 3.095 10.377 -3.890 1.00 0.00 O ATOM 864 CB TRP A 60 4.289 9.006 -1.551 1.00 0.00 C ATOM 865 CG TRP A 60 4.054 7.997 -0.468 1.00 0.00 C ATOM 866 CD1 TRP A 60 4.991 7.455 0.364 1.00 0.00 C ATOM 867 CD2 TRP A 60 2.801 7.408 -0.102 1.00 0.00 C ATOM 868 NE1 TRP A 60 4.396 6.564 1.225 1.00 0.00 N ATOM 869 CE2 TRP A 60 3.053 6.519 0.960 1.00 0.00 C ATOM 870 CE3 TRP A 60 1.491 7.547 -0.567 1.00 0.00 C ATOM 871 CZ2 TRP A 60 2.043 5.772 1.561 1.00 0.00 C ATOM 872 CZ3 TRP A 60 0.489 6.807 0.031 1.00 0.00 C ATOM 873 CH2 TRP A 60 0.769 5.929 1.087 1.00 0.00 C ATOM 0 H TRP A 60 6.166 8.070 -3.379 1.00 0.00 H new ATOM 0 HA TRP A 60 3.238 7.822 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.290 9.422 -1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.586 9.830 -1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.045 7.692 0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.877 6.024 1.945 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.265 8.221 -1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.258 5.093 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.527 6.907 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.036 5.366 1.535 1.00 0.00 H new ATOM 884 N GLU A 61 4.933 9.600 -4.931 1.00 0.00 N ATOM 885 CA GLU A 61 4.920 10.632 -5.961 1.00 0.00 C ATOM 886 C GLU A 61 4.761 12.018 -5.342 1.00 0.00 C ATOM 887 O GLU A 61 4.939 12.194 -4.136 1.00 0.00 O ATOM 888 CB GLU A 61 3.787 10.375 -6.957 1.00 0.00 C ATOM 889 CG GLU A 61 4.183 10.614 -8.404 1.00 0.00 C ATOM 890 CD GLU A 61 4.396 9.323 -9.172 1.00 0.00 C ATOM 891 OE1 GLU A 61 4.702 8.296 -8.532 1.00 0.00 O ATOM 892 OE2 GLU A 61 4.255 9.341 -10.412 1.00 0.00 O ATOM 0 H GLU A 61 5.697 8.930 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 61 5.874 10.595 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.445 9.346 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.943 11.019 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.408 11.202 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.098 11.205 -8.433 1.00 0.00 H new ATOM 899 N ASP A 62 4.426 12.997 -6.173 1.00 0.00 N ATOM 900 CA ASP A 62 4.243 14.367 -5.709 1.00 0.00 C ATOM 901 C ASP A 62 3.333 14.408 -4.485 1.00 0.00 C ATOM 902 O ASP A 62 3.593 15.139 -3.530 1.00 0.00 O ATOM 903 CB ASP A 62 3.658 15.234 -6.825 1.00 0.00 C ATOM 904 CG ASP A 62 3.275 16.619 -6.343 1.00 0.00 C ATOM 905 OD1 ASP A 62 3.852 17.076 -5.333 1.00 0.00 O ATOM 906 OD2 ASP A 62 2.400 17.246 -6.975 1.00 0.00 O ATOM 0 H ASP A 62 4.275 12.868 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 62 5.219 14.763 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.386 15.322 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.779 14.741 -7.241 1.00 0.00 H new ATOM 911 N ALA A 63 2.265 13.620 -4.522 1.00 0.00 N ATOM 912 CA ALA A 63 1.316 13.565 -3.416 1.00 0.00 C ATOM 913 C ALA A 63 2.035 13.378 -2.085 1.00 0.00 C ATOM 914 O ALA A 63 2.464 12.274 -1.750 1.00 0.00 O ATOM 915 CB ALA A 63 0.311 12.445 -3.638 1.00 0.00 C ATOM 0 H ALA A 63 2.034 13.010 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 63 0.782 14.515 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.391 12.416 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.234 12.623 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.836 11.492 -3.703 1.00 0.00 H new ATOM 921 N TYR A 64 2.165 14.464 -1.330 1.00 0.00 N ATOM 922 CA TYR A 64 2.836 14.418 -0.036 1.00 0.00 C ATOM 923 C TYR A 64 1.825 14.489 1.104 1.00 0.00 C ATOM 924 O TYR A 64 0.914 15.317 1.091 1.00 0.00 O ATOM 925 CB TYR A 64 3.837 15.569 0.083 1.00 0.00 C ATOM 926 CG TYR A 64 3.188 16.915 0.313 1.00 0.00 C ATOM 927 CD1 TYR A 64 2.889 17.353 1.597 1.00 0.00 C ATOM 928 CD2 TYR A 64 2.873 17.748 -0.754 1.00 0.00 C ATOM 929 CE1 TYR A 64 2.295 18.582 1.812 1.00 0.00 C ATOM 930 CE2 TYR A 64 2.280 18.978 -0.548 1.00 0.00 C ATOM 931 CZ TYR A 64 1.993 19.391 0.736 1.00 0.00 C ATOM 932 OH TYR A 64 1.402 20.616 0.945 1.00 0.00 O ATOM 0 H TYR A 64 1.815 15.386 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 64 3.371 13.471 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.522 15.360 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.435 15.614 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.125 16.722 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.096 17.428 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.068 18.907 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.042 19.613 -1.388 1.00 0.00 H new ATOM 0 HH TYR A 64 1.257 21.060 0.084 1.00 0.00 H new ATOM 942 N ALA A 65 1.993 13.614 2.090 1.00 0.00 N ATOM 943 CA ALA A 65 1.098 13.578 3.240 1.00 0.00 C ATOM 944 C ALA A 65 1.849 13.888 4.530 1.00 0.00 C ATOM 945 O ALA A 65 3.076 13.999 4.537 1.00 0.00 O ATOM 946 CB ALA A 65 0.418 12.219 3.337 1.00 0.00 C ATOM 0 H ALA A 65 2.741 12.921 2.115 1.00 0.00 H new ATOM 0 HA ALA A 65 0.336 14.345 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.248 12.206 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.159 12.036 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.173 11.441 3.450 1.00 0.00 H new ATOM 952 N THR A 66 1.105 14.031 5.623 1.00 0.00 N ATOM 953 CA THR A 66 1.701 14.332 6.919 1.00 0.00 C ATOM 954 C THR A 66 2.411 13.111 7.494 1.00 0.00 C ATOM 955 O THR A 66 3.214 13.228 8.419 1.00 0.00 O ATOM 956 CB THR A 66 0.640 14.816 7.925 1.00 0.00 C ATOM 957 OG1 THR A 66 -0.619 14.192 7.650 1.00 0.00 O ATOM 958 CG2 THR A 66 0.486 16.328 7.863 1.00 0.00 C ATOM 0 H THR A 66 0.089 13.943 5.636 1.00 0.00 H new ATOM 0 HA THR A 66 2.427 15.128 6.757 1.00 0.00 H new ATOM 0 HB THR A 66 0.970 14.540 8.927 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.188 14.239 8.446 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.269 16.647 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.438 16.801 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.178 16.621 6.860 1.00 0.00 H new ATOM 966 N ALA A 67 2.109 11.941 6.940 1.00 0.00 N ATOM 967 CA ALA A 67 2.721 10.700 7.397 1.00 0.00 C ATOM 968 C ALA A 67 2.036 9.488 6.775 1.00 0.00 C ATOM 969 O ALA A 67 0.982 9.612 6.151 1.00 0.00 O ATOM 970 CB ALA A 67 2.673 10.615 8.916 1.00 0.00 C ATOM 0 H ALA A 67 1.445 11.827 6.175 1.00 0.00 H new ATOM 0 HA ALA A 67 3.763 10.699 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.134 9.683 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.215 11.458 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.636 10.644 9.249 1.00 0.00 H new ATOM 976 N TYR A 68 2.640 8.318 6.949 1.00 0.00 N ATOM 977 CA TYR A 68 2.088 7.085 6.402 1.00 0.00 C ATOM 978 C TYR A 68 2.259 5.929 7.383 1.00 0.00 C ATOM 979 O TYR A 68 3.017 6.025 8.348 1.00 0.00 O ATOM 980 CB TYR A 68 2.766 6.743 5.073 1.00 0.00 C ATOM 981 CG TYR A 68 2.558 7.790 4.002 1.00 0.00 C ATOM 982 CD1 TYR A 68 1.281 8.126 3.570 1.00 0.00 C ATOM 983 CD2 TYR A 68 3.638 8.443 3.421 1.00 0.00 C ATOM 984 CE1 TYR A 68 1.087 9.082 2.590 1.00 0.00 C ATOM 985 CE2 TYR A 68 3.454 9.400 2.444 1.00 0.00 C ATOM 986 CZ TYR A 68 2.176 9.716 2.031 1.00 0.00 C ATOM 987 OH TYR A 68 1.988 10.668 1.056 1.00 0.00 O ATOM 0 H TYR A 68 3.512 8.198 7.465 1.00 0.00 H new ATOM 0 HA TYR A 68 1.023 7.239 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.835 6.615 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.384 5.787 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.426 7.632 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.640 8.197 3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.088 9.331 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.305 9.899 2.005 1.00 0.00 H new ATOM 0 HH TYR A 68 2.857 11.018 0.768 1.00 0.00 H new ATOM 997 N SER A 69 1.547 4.836 7.129 1.00 0.00 N ATOM 998 CA SER A 69 1.616 3.661 7.991 1.00 0.00 C ATOM 999 C SER A 69 1.555 2.378 7.168 1.00 0.00 C ATOM 1000 O SER A 69 0.812 2.290 6.190 1.00 0.00 O ATOM 1001 CB SER A 69 0.474 3.682 9.009 1.00 0.00 C ATOM 1002 OG SER A 69 0.815 4.462 10.143 1.00 0.00 O ATOM 0 H SER A 69 0.916 4.739 6.334 1.00 0.00 H new ATOM 0 HA SER A 69 2.568 3.686 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.425 4.086 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.242 2.664 9.321 1.00 0.00 H new ATOM 0 HG SER A 69 1.747 4.288 10.392 1.00 0.00 H new ATOM 1008 N ILE A 70 2.342 1.386 7.570 1.00 0.00 N ATOM 1009 CA ILE A 70 2.379 0.108 6.871 1.00 0.00 C ATOM 1010 C ILE A 70 1.939 -1.031 7.785 1.00 0.00 C ATOM 1011 O ILE A 70 2.357 -1.109 8.939 1.00 0.00 O ATOM 1012 CB ILE A 70 3.787 -0.198 6.329 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.695 -0.863 4.954 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.548 -1.085 7.302 1.00 0.00 C ATOM 1015 CD1 ILE A 70 5.036 -1.276 4.391 1.00 0.00 C ATOM 0 H ILE A 70 2.963 1.443 8.377 1.00 0.00 H new ATOM 0 HA ILE A 70 1.686 0.187 6.033 1.00 0.00 H new ATOM 0 HB ILE A 70 4.331 0.741 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.055 -1.742 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.214 -0.175 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.542 -1.292 6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.640 -0.577 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.009 -2.022 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.894 -1.740 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.673 -0.397 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.510 -1.989 5.066 1.00 0.00 H new ATOM 1027 N GLN A 71 1.095 -1.912 7.258 1.00 0.00 N ATOM 1028 CA GLN A 71 0.600 -3.049 8.027 1.00 0.00 C ATOM 1029 C GLN A 71 0.403 -4.267 7.131 1.00 0.00 C ATOM 1030 O GLN A 71 0.621 -4.203 5.922 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.718 -2.689 8.716 1.00 0.00 C ATOM 1032 CG GLN A 71 -0.849 -1.212 9.046 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.328 -0.390 7.866 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -0.587 0.429 7.322 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -2.576 -0.604 7.464 1.00 0.00 N ATOM 0 H GLN A 71 0.740 -1.861 6.303 1.00 0.00 H new ATOM 0 HA GLN A 71 1.343 -3.295 8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.547 -2.984 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.807 -3.267 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.545 -1.089 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.116 -0.832 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.155 -1.293 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.955 -0.080 6.675 1.00 0.00 H new ATOM 1044 N VAL A 72 -0.010 -5.378 7.735 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.237 -6.612 6.991 1.00 0.00 C ATOM 1046 C VAL A 72 -1.315 -7.462 7.654 1.00 0.00 C ATOM 1047 O VAL A 72 -2.073 -6.977 8.494 1.00 0.00 O ATOM 1048 CB VAL A 72 1.055 -7.441 6.874 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.150 -6.633 6.194 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.508 -7.919 8.246 1.00 0.00 C ATOM 0 H VAL A 72 -0.194 -5.448 8.736 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.568 -6.325 5.993 1.00 0.00 H new ATOM 0 HB VAL A 72 0.848 -8.317 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.055 -7.236 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.823 -6.346 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.358 -5.737 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.423 -8.503 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.697 -7.058 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.729 -8.539 8.691 1.00 0.00 H new ATOM 1060 N SER A 73 -1.377 -8.733 7.272 1.00 0.00 N ATOM 1061 CA SER A 73 -2.365 -9.651 7.826 1.00 0.00 C ATOM 1062 C SER A 73 -1.701 -10.936 8.311 1.00 0.00 C ATOM 1063 O SER A 73 -1.156 -11.703 7.519 1.00 0.00 O ATOM 1064 CB SER A 73 -3.432 -9.979 6.779 1.00 0.00 C ATOM 1065 OG SER A 73 -3.440 -11.363 6.474 1.00 0.00 O ATOM 0 H SER A 73 -0.754 -9.151 6.581 1.00 0.00 H new ATOM 0 HA SER A 73 -2.840 -9.164 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.413 -9.679 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.244 -9.405 5.872 1.00 0.00 H new ATOM 0 HG SER A 73 -4.101 -11.540 5.773 1.00 0.00 H new ATOM 1071 N ASN A 74 -1.752 -11.163 9.620 1.00 0.00 N ATOM 1072 CA ASN A 74 -1.155 -12.354 10.213 1.00 0.00 C ATOM 1073 C ASN A 74 -1.360 -12.371 11.724 1.00 0.00 C ATOM 1074 O ASN A 74 -1.708 -11.354 12.325 1.00 0.00 O ATOM 1075 CB ASN A 74 0.340 -12.416 9.889 1.00 0.00 C ATOM 1076 CG ASN A 74 1.153 -11.448 10.725 1.00 0.00 C ATOM 1077 OD1 ASN A 74 1.350 -11.658 11.923 1.00 0.00 O ATOM 1078 ND2 ASN A 74 1.630 -10.379 10.098 1.00 0.00 N ATOM 0 H ASN A 74 -2.200 -10.538 10.290 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.649 -13.228 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.703 -13.430 10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.490 -12.194 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.184 -9.692 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.443 -10.245 9.104 1.00 0.00 H new ATOM 1085 N ASP A 75 -1.141 -13.531 12.332 1.00 0.00 N ATOM 1086 CA ASP A 75 -1.300 -13.680 13.774 1.00 0.00 C ATOM 1087 C ASP A 75 -0.852 -15.066 14.230 1.00 0.00 C ATOM 1088 O ASP A 75 -0.163 -15.204 15.240 1.00 0.00 O ATOM 1089 CB ASP A 75 -2.757 -13.445 14.176 1.00 0.00 C ATOM 1090 CG ASP A 75 -2.896 -12.998 15.618 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -2.155 -13.523 16.474 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -3.747 -12.124 15.889 1.00 0.00 O ATOM 0 H ASP A 75 -0.853 -14.382 11.849 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.672 -12.935 14.262 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.194 -12.691 13.521 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.324 -14.364 14.027 1.00 0.00 H new ATOM 1097 N SER A 76 -1.248 -16.088 13.478 1.00 0.00 N ATOM 1098 CA SER A 76 -0.893 -17.463 13.807 1.00 0.00 C ATOM 1099 C SER A 76 0.114 -18.018 12.804 1.00 0.00 C ATOM 1100 O SER A 76 0.602 -19.137 12.952 1.00 0.00 O ATOM 1101 CB SER A 76 -2.143 -18.344 13.835 1.00 0.00 C ATOM 1102 OG SER A 76 -1.799 -19.717 13.785 1.00 0.00 O ATOM 0 H SER A 76 -1.815 -15.989 12.636 1.00 0.00 H new ATOM 0 HA SER A 76 -0.435 -17.467 14.796 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.714 -18.142 14.741 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.786 -18.096 12.991 1.00 0.00 H new ATOM 0 HG SER A 76 -0.824 -19.812 13.827 1.00 0.00 H new ATOM 1108 N GLY A 77 0.419 -17.225 11.781 1.00 0.00 N ATOM 1109 CA GLY A 77 1.365 -17.654 10.768 1.00 0.00 C ATOM 1110 C GLY A 77 0.700 -18.422 9.641 1.00 0.00 C ATOM 1111 O GLY A 77 0.959 -18.162 8.467 1.00 0.00 O ATOM 0 H GLY A 77 0.028 -16.294 11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.874 -16.782 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.128 -18.281 11.230 1.00 0.00 H new ATOM 1115 N SER A 78 -0.158 -19.370 10.001 1.00 0.00 N ATOM 1116 CA SER A 78 -0.858 -20.182 9.013 1.00 0.00 C ATOM 1117 C SER A 78 -2.289 -19.688 8.818 1.00 0.00 C ATOM 1118 O SER A 78 -2.894 -19.901 7.768 1.00 0.00 O ATOM 1119 CB SER A 78 -0.867 -21.650 9.442 1.00 0.00 C ATOM 1120 OG SER A 78 0.193 -22.367 8.832 1.00 0.00 O ATOM 0 H SER A 78 -0.385 -19.595 10.970 1.00 0.00 H new ATOM 0 HA SER A 78 -0.329 -20.091 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.778 -21.716 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.820 -22.105 9.173 1.00 0.00 H new ATOM 0 HG SER A 78 0.166 -23.302 9.124 1.00 0.00 H new ATOM 1126 N THR A 79 -2.823 -19.028 9.840 1.00 0.00 N ATOM 1127 CA THR A 79 -4.183 -18.504 9.784 1.00 0.00 C ATOM 1128 C THR A 79 -4.203 -17.001 10.034 1.00 0.00 C ATOM 1129 O THR A 79 -4.606 -16.529 11.098 1.00 0.00 O ATOM 1130 CB THR A 79 -5.095 -19.197 10.814 1.00 0.00 C ATOM 1131 OG1 THR A 79 -4.897 -20.614 10.766 1.00 0.00 O ATOM 1132 CG2 THR A 79 -6.557 -18.874 10.545 1.00 0.00 C ATOM 0 H THR A 79 -2.335 -18.843 10.717 1.00 0.00 H new ATOM 0 HA THR A 79 -4.560 -18.708 8.782 1.00 0.00 H new ATOM 0 HB THR A 79 -4.835 -18.827 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.479 -21.048 11.425 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.182 -19.374 11.285 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.710 -17.797 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.828 -19.219 9.547 1.00 0.00 H new ATOM 1140 N PRO A 80 -3.758 -16.226 9.033 1.00 0.00 N ATOM 1141 CA PRO A 80 -3.717 -14.764 9.121 1.00 0.00 C ATOM 1142 C PRO A 80 -5.110 -14.143 9.113 1.00 0.00 C ATOM 1143 O PRO A 80 -6.049 -14.705 8.547 1.00 0.00 O ATOM 1144 CB PRO A 80 -2.942 -14.354 7.867 1.00 0.00 C ATOM 1145 CG PRO A 80 -3.161 -15.471 6.905 1.00 0.00 C ATOM 1146 CD PRO A 80 -3.263 -16.719 7.738 1.00 0.00 C ATOM 0 HA PRO A 80 -3.260 -14.425 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.308 -13.409 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.882 -14.219 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.070 -15.314 6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.337 -15.542 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.948 -17.443 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.297 -17.214 7.839 1.00 0.00 H new ATOM 1154 N THR A 81 -5.239 -12.981 9.746 1.00 0.00 N ATOM 1155 CA THR A 81 -6.518 -12.285 9.812 1.00 0.00 C ATOM 1156 C THR A 81 -6.317 -10.780 9.961 1.00 0.00 C ATOM 1157 O THR A 81 -6.548 -10.019 9.024 1.00 0.00 O ATOM 1158 CB THR A 81 -7.375 -12.795 10.985 1.00 0.00 C ATOM 1159 OG1 THR A 81 -6.619 -12.752 12.201 1.00 0.00 O ATOM 1160 CG2 THR A 81 -7.851 -14.217 10.729 1.00 0.00 C ATOM 0 H THR A 81 -4.473 -12.502 10.220 1.00 0.00 H new ATOM 0 HA THR A 81 -7.038 -12.489 8.876 1.00 0.00 H new ATOM 0 HB THR A 81 -8.247 -12.147 11.077 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.172 -13.076 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.454 -14.556 11.571 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.451 -14.242 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.989 -14.874 10.613 1.00 0.00 H new ATOM 1168 N ASN A 82 -5.886 -10.360 11.145 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.654 -8.946 11.417 1.00 0.00 C ATOM 1170 C ASN A 82 -4.178 -8.680 11.697 1.00 0.00 C ATOM 1171 O ASN A 82 -3.334 -9.558 11.516 1.00 0.00 O ATOM 1172 CB ASN A 82 -6.501 -8.488 12.606 1.00 0.00 C ATOM 1173 CG ASN A 82 -7.978 -8.767 12.406 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -8.465 -8.807 11.276 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -8.697 -8.961 13.505 1.00 0.00 N ATOM 0 H ASN A 82 -5.690 -10.978 11.932 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.945 -8.379 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.158 -8.993 13.509 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.354 -7.419 12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.696 -9.153 13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.250 -8.918 14.421 1.00 0.00 H new ATOM 1182 N TRP A 83 -3.874 -7.466 12.141 1.00 0.00 N ATOM 1183 CA TRP A 83 -2.501 -7.085 12.447 1.00 0.00 C ATOM 1184 C TRP A 83 -2.436 -5.654 12.968 1.00 0.00 C ATOM 1185 O TRP A 83 -3.423 -4.918 12.920 1.00 0.00 O ATOM 1186 CB TRP A 83 -1.621 -7.228 11.204 1.00 0.00 C ATOM 1187 CG TRP A 83 -0.161 -7.349 11.519 1.00 0.00 C ATOM 1188 CD1 TRP A 83 0.860 -6.631 10.965 1.00 0.00 C ATOM 1189 CD2 TRP A 83 0.441 -8.242 12.462 1.00 0.00 C ATOM 1190 NE1 TRP A 83 2.060 -7.024 11.506 1.00 0.00 N ATOM 1191 CE2 TRP A 83 1.830 -8.010 12.428 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -0.058 -9.213 13.334 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 2.722 -8.716 13.231 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 0.828 -9.913 14.130 1.00 0.00 C ATOM 1195 CH2 TRP A 83 2.206 -9.661 14.075 1.00 0.00 C ATOM 0 H TRP A 83 -4.561 -6.728 12.297 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.130 -7.752 13.225 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -1.938 -8.107 10.643 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.775 -6.364 10.557 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.741 -5.866 10.212 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.974 -6.643 11.261 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.118 -9.413 13.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 3.784 -8.524 13.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.453 -10.667 14.806 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.873 -10.224 14.711 1.00 0.00 H new ATOM 1206 N THR A 84 -1.267 -5.262 13.467 1.00 0.00 N ATOM 1207 CA THR A 84 -1.075 -3.919 13.998 1.00 0.00 C ATOM 1208 C THR A 84 -0.053 -3.143 13.175 1.00 0.00 C ATOM 1209 O THR A 84 0.890 -3.720 12.633 1.00 0.00 O ATOM 1210 CB THR A 84 -0.611 -3.957 15.467 1.00 0.00 C ATOM 1211 OG1 THR A 84 -0.556 -2.628 15.998 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.756 -4.614 15.586 1.00 0.00 C ATOM 0 H THR A 84 -0.439 -5.856 13.514 1.00 0.00 H new ATOM 0 HA THR A 84 -2.040 -3.416 13.942 1.00 0.00 H new ATOM 0 HB THR A 84 -1.330 -4.546 16.037 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.262 -2.661 16.932 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.063 -4.629 16.632 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.703 -5.635 15.208 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.483 -4.049 15.003 1.00 0.00 H new ATOM 1220 N THR A 85 -0.245 -1.831 13.085 1.00 0.00 N ATOM 1221 CA THR A 85 0.658 -0.976 12.327 1.00 0.00 C ATOM 1222 C THR A 85 2.114 -1.338 12.598 1.00 0.00 C ATOM 1223 O THR A 85 2.452 -1.831 13.674 1.00 0.00 O ATOM 1224 CB THR A 85 0.441 0.512 12.664 1.00 0.00 C ATOM 1225 OG1 THR A 85 0.384 0.688 14.084 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.843 1.026 12.032 1.00 0.00 C ATOM 0 H THR A 85 -1.019 -1.337 13.529 1.00 0.00 H new ATOM 0 HA THR A 85 0.435 -1.138 11.273 1.00 0.00 H new ATOM 0 HB THR A 85 1.279 1.081 12.261 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.248 1.636 14.291 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.976 2.078 12.283 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.785 0.916 10.949 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.690 0.453 12.410 1.00 0.00 H new ATOM 1234 N VAL A 86 2.973 -1.091 11.615 1.00 0.00 N ATOM 1235 CA VAL A 86 4.394 -1.390 11.747 1.00 0.00 C ATOM 1236 C VAL A 86 5.236 -0.124 11.631 1.00 0.00 C ATOM 1237 O VAL A 86 6.410 -0.110 12.001 1.00 0.00 O ATOM 1238 CB VAL A 86 4.858 -2.401 10.682 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.156 -3.070 11.108 1.00 0.00 C ATOM 1240 CG2 VAL A 86 3.774 -3.438 10.424 1.00 0.00 C ATOM 0 H VAL A 86 2.710 -0.684 10.717 1.00 0.00 H new ATOM 0 HA VAL A 86 4.534 -1.827 12.736 1.00 0.00 H new ATOM 0 HB VAL A 86 5.044 -1.863 9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.467 -3.781 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.930 -2.313 11.237 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.002 -3.596 12.050 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.119 -4.144 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.555 -3.973 11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.871 -2.940 10.070 1.00 0.00 H new ATOM 1250 N TYR A 87 4.628 0.937 11.113 1.00 0.00 N ATOM 1251 CA TYR A 87 5.322 2.209 10.946 1.00 0.00 C ATOM 1252 C TYR A 87 4.368 3.382 11.153 1.00 0.00 C ATOM 1253 O TYR A 87 3.216 3.342 10.722 1.00 0.00 O ATOM 1254 CB TYR A 87 5.953 2.290 9.555 1.00 0.00 C ATOM 1255 CG TYR A 87 7.283 3.008 9.535 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.380 2.500 10.221 1.00 0.00 C ATOM 1257 CD2 TYR A 87 7.445 4.193 8.829 1.00 0.00 C ATOM 1258 CE1 TYR A 87 9.597 3.153 10.205 1.00 0.00 C ATOM 1259 CE2 TYR A 87 8.659 4.853 8.806 1.00 0.00 C ATOM 1260 CZ TYR A 87 9.732 4.328 9.497 1.00 0.00 C ATOM 1261 OH TYR A 87 10.943 4.981 9.478 1.00 0.00 O ATOM 0 H TYR A 87 3.657 0.942 10.802 1.00 0.00 H new ATOM 0 HA TYR A 87 6.108 2.267 11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.089 1.280 9.167 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.264 2.800 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.279 1.579 10.776 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.607 4.606 8.288 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.439 2.745 10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.767 5.773 8.251 1.00 0.00 H new ATOM 0 HH TYR A 87 10.869 5.792 8.933 1.00 0.00 H new ATOM 1271 N SER A 88 4.857 4.425 11.815 1.00 0.00 N ATOM 1272 CA SER A 88 4.049 5.608 12.083 1.00 0.00 C ATOM 1273 C SER A 88 4.810 6.598 12.960 1.00 0.00 C ATOM 1274 O SER A 88 5.311 6.244 14.027 1.00 0.00 O ATOM 1275 CB SER A 88 2.737 5.212 12.762 1.00 0.00 C ATOM 1276 OG SER A 88 2.957 4.240 13.770 1.00 0.00 O ATOM 0 H SER A 88 5.810 4.475 12.176 1.00 0.00 H new ATOM 0 HA SER A 88 3.826 6.089 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.269 6.094 13.199 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.043 4.819 12.019 1.00 0.00 H new ATOM 0 HG SER A 88 3.758 4.476 14.283 1.00 0.00 H new ATOM 1282 N THR A 89 4.893 7.843 12.500 1.00 0.00 N ATOM 1283 CA THR A 89 5.592 8.886 13.240 1.00 0.00 C ATOM 1284 C THR A 89 4.780 10.177 13.272 1.00 0.00 C ATOM 1285 O THR A 89 4.848 10.941 14.235 1.00 0.00 O ATOM 1286 CB THR A 89 6.974 9.178 12.627 1.00 0.00 C ATOM 1287 OG1 THR A 89 7.709 10.068 13.475 1.00 0.00 O ATOM 1288 CG2 THR A 89 6.835 9.790 11.242 1.00 0.00 C ATOM 0 H THR A 89 4.485 8.153 11.618 1.00 0.00 H new ATOM 0 HA THR A 89 5.724 8.518 14.257 1.00 0.00 H new ATOM 0 HB THR A 89 7.512 8.234 12.537 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.587 10.247 13.078 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.825 9.987 10.830 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.302 9.098 10.590 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.278 10.725 11.311 1.00 0.00 H new ATOM 1296 N THR A 90 4.012 10.414 12.214 1.00 0.00 N ATOM 1297 CA THR A 90 3.188 11.612 12.120 1.00 0.00 C ATOM 1298 C THR A 90 4.044 12.852 11.888 1.00 0.00 C ATOM 1299 O THR A 90 3.848 13.884 12.530 1.00 0.00 O ATOM 1300 CB THR A 90 2.345 11.815 13.394 1.00 0.00 C ATOM 1301 OG1 THR A 90 2.130 10.557 14.044 1.00 0.00 O ATOM 1302 CG2 THR A 90 1.006 12.455 13.061 1.00 0.00 C ATOM 0 H THR A 90 3.943 9.791 11.409 1.00 0.00 H new ATOM 0 HA THR A 90 2.521 11.471 11.270 1.00 0.00 H new ATOM 0 HB THR A 90 2.891 12.481 14.062 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.595 10.694 14.854 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.429 12.588 13.976 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.173 13.425 12.593 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.455 11.811 12.375 1.00 0.00 H new ATOM 1310 N THR A 91 4.995 12.744 10.967 1.00 0.00 N ATOM 1311 CA THR A 91 5.882 13.857 10.650 1.00 0.00 C ATOM 1312 C THR A 91 5.584 14.422 9.266 1.00 0.00 C ATOM 1313 O THR A 91 5.082 15.538 9.136 1.00 0.00 O ATOM 1314 CB THR A 91 7.361 13.430 10.710 1.00 0.00 C ATOM 1315 OG1 THR A 91 7.583 12.310 9.844 1.00 0.00 O ATOM 1316 CG2 THR A 91 7.764 13.068 12.131 1.00 0.00 C ATOM 0 H THR A 91 5.171 11.897 10.427 1.00 0.00 H new ATOM 0 HA THR A 91 5.702 14.628 11.400 1.00 0.00 H new ATOM 0 HB THR A 91 7.972 14.270 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.526 12.046 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.812 12.770 12.147 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.622 13.932 12.781 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.147 12.242 12.485 1.00 0.00 H new ATOM 1324 N GLY A 92 5.894 13.644 8.234 1.00 0.00 N ATOM 1325 CA GLY A 92 5.651 14.084 6.873 1.00 0.00 C ATOM 1326 C GLY A 92 6.525 13.365 5.865 1.00 0.00 C ATOM 1327 O GLY A 92 6.585 12.136 5.850 1.00 0.00 O ATOM 0 H GLY A 92 6.309 12.716 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.603 13.919 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.830 15.157 6.804 1.00 0.00 H new ATOM 1331 N ASP A 93 7.206 14.133 5.021 1.00 0.00 N ATOM 1332 CA ASP A 93 8.082 13.563 4.005 1.00 0.00 C ATOM 1333 C ASP A 93 7.275 12.808 2.952 1.00 0.00 C ATOM 1334 O ASP A 93 7.077 11.598 3.057 1.00 0.00 O ATOM 1335 CB ASP A 93 9.104 12.625 4.650 1.00 0.00 C ATOM 1336 CG ASP A 93 10.328 12.416 3.780 1.00 0.00 C ATOM 1337 OD1 ASP A 93 10.167 11.957 2.629 1.00 0.00 O ATOM 1338 OD2 ASP A 93 11.446 12.711 4.249 1.00 0.00 O ATOM 0 H ASP A 93 7.168 15.152 5.021 1.00 0.00 H new ATOM 0 HA ASP A 93 8.609 14.382 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.411 13.034 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.634 11.662 4.848 1.00 0.00 H new ATOM 1343 N GLY A 94 6.809 13.532 1.939 1.00 0.00 N ATOM 1344 CA GLY A 94 6.028 12.915 0.884 1.00 0.00 C ATOM 1345 C GLY A 94 6.867 12.032 -0.019 1.00 0.00 C ATOM 1346 O GLY A 94 6.337 11.328 -0.877 1.00 0.00 O ATOM 0 H GLY A 94 6.959 14.535 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.229 12.321 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.552 13.693 0.286 1.00 0.00 H new ATOM 1350 N ALA A 95 8.181 12.070 0.175 1.00 0.00 N ATOM 1351 CA ALA A 95 9.096 11.268 -0.628 1.00 0.00 C ATOM 1352 C ALA A 95 8.835 9.778 -0.432 1.00 0.00 C ATOM 1353 O ALA A 95 8.129 9.380 0.495 1.00 0.00 O ATOM 1354 CB ALA A 95 10.538 11.604 -0.281 1.00 0.00 C ATOM 0 H ALA A 95 8.636 12.648 0.882 1.00 0.00 H new ATOM 0 HA ALA A 95 8.923 11.506 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.209 10.997 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.723 12.660 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.716 11.396 0.774 1.00 0.00 H new ATOM 1360 N ILE A 96 9.410 8.962 -1.308 1.00 0.00 N ATOM 1361 CA ILE A 96 9.240 7.515 -1.229 1.00 0.00 C ATOM 1362 C ILE A 96 9.432 7.017 0.199 1.00 0.00 C ATOM 1363 O ILE A 96 10.364 7.428 0.891 1.00 0.00 O ATOM 1364 CB ILE A 96 10.227 6.782 -2.155 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.145 7.348 -3.574 1.00 0.00 C ATOM 1366 CG2 ILE A 96 9.940 5.288 -2.158 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.282 8.286 -3.917 1.00 0.00 C ATOM 0 H ILE A 96 9.997 9.277 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 96 8.222 7.298 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 96 11.238 6.938 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.138 6.523 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.200 7.878 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.646 4.783 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.044 4.896 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.924 5.113 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.159 8.649 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.277 9.131 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.230 7.755 -3.832 1.00 0.00 H new ATOM 1379 N ASP A 97 8.548 6.127 0.633 1.00 0.00 N ATOM 1380 CA ASP A 97 8.622 5.568 1.978 1.00 0.00 C ATOM 1381 C ASP A 97 9.157 4.139 1.945 1.00 0.00 C ATOM 1382 O ASP A 97 8.569 3.260 1.316 1.00 0.00 O ATOM 1383 CB ASP A 97 7.244 5.594 2.641 1.00 0.00 C ATOM 1384 CG ASP A 97 7.318 5.377 4.140 1.00 0.00 C ATOM 1385 OD1 ASP A 97 8.443 5.231 4.664 1.00 0.00 O ATOM 1386 OD2 ASP A 97 6.252 5.355 4.789 1.00 0.00 O ATOM 0 H ASP A 97 7.771 5.776 0.073 1.00 0.00 H new ATOM 0 HA ASP A 97 9.309 6.181 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.765 6.552 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.615 4.823 2.196 1.00 0.00 H new ATOM 1391 N ASP A 98 10.276 3.916 2.625 1.00 0.00 N ATOM 1392 CA ASP A 98 10.890 2.595 2.674 1.00 0.00 C ATOM 1393 C ASP A 98 10.791 2.000 4.075 1.00 0.00 C ATOM 1394 O ASP A 98 11.385 2.517 5.022 1.00 0.00 O ATOM 1395 CB ASP A 98 12.356 2.675 2.243 1.00 0.00 C ATOM 1396 CG ASP A 98 13.138 1.430 2.617 1.00 0.00 C ATOM 1397 OD1 ASP A 98 12.545 0.331 2.601 1.00 0.00 O ATOM 1398 OD2 ASP A 98 14.341 1.556 2.927 1.00 0.00 O ATOM 0 H ASP A 98 10.776 4.633 3.150 1.00 0.00 H new ATOM 0 HA ASP A 98 10.351 1.945 1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.407 2.822 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.821 3.545 2.706 1.00 0.00 H new ATOM 1403 N ILE A 99 10.036 0.914 4.199 1.00 0.00 N ATOM 1404 CA ILE A 99 9.859 0.250 5.484 1.00 0.00 C ATOM 1405 C ILE A 99 10.407 -1.172 5.449 1.00 0.00 C ATOM 1406 O ILE A 99 10.119 -1.939 4.528 1.00 0.00 O ATOM 1407 CB ILE A 99 8.376 0.207 5.896 1.00 0.00 C ATOM 1408 CG1 ILE A 99 7.918 1.583 6.382 1.00 0.00 C ATOM 1409 CG2 ILE A 99 8.156 -0.842 6.976 1.00 0.00 C ATOM 1410 CD1 ILE A 99 6.561 1.990 5.853 1.00 0.00 C ATOM 0 H ILE A 99 9.537 0.475 3.425 1.00 0.00 H new ATOM 0 HA ILE A 99 10.415 0.832 6.219 1.00 0.00 H new ATOM 0 HB ILE A 99 7.781 -0.066 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.889 1.583 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.654 2.329 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.103 -0.860 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.447 -1.821 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.760 -0.597 7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.301 2.976 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.590 2.022 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.813 1.266 6.175 1.00 0.00 H new ATOM 1422 N THR A 100 11.198 -1.523 6.458 1.00 0.00 N ATOM 1423 CA THR A 100 11.786 -2.853 6.543 1.00 0.00 C ATOM 1424 C THR A 100 11.778 -3.368 7.978 1.00 0.00 C ATOM 1425 O THR A 100 12.177 -2.661 8.904 1.00 0.00 O ATOM 1426 CB THR A 100 13.233 -2.863 6.015 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.098 -2.200 6.943 1.00 0.00 O ATOM 1428 CG2 THR A 100 13.318 -2.180 4.658 1.00 0.00 C ATOM 0 H THR A 100 11.446 -0.903 7.229 1.00 0.00 H new ATOM 0 HA THR A 100 11.175 -3.508 5.921 1.00 0.00 H new ATOM 0 HB THR A 100 13.548 -3.900 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.658 -2.142 7.817 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.349 -2.199 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.681 -2.705 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 100 12.985 -1.146 4.750 1.00 0.00 H new ATOM 1436 N PHE A 101 11.321 -4.603 8.157 1.00 0.00 N ATOM 1437 CA PHE A 101 11.260 -5.212 9.480 1.00 0.00 C ATOM 1438 C PHE A 101 11.630 -6.690 9.415 1.00 0.00 C ATOM 1439 O PHE A 101 12.021 -7.199 8.365 1.00 0.00 O ATOM 1440 CB PHE A 101 9.861 -5.049 10.077 1.00 0.00 C ATOM 1441 CG PHE A 101 9.578 -3.661 10.573 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.080 -2.692 9.715 1.00 0.00 C ATOM 1443 CD2 PHE A 101 9.808 -3.323 11.896 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.819 -1.413 10.169 1.00 0.00 C ATOM 1445 CE2 PHE A 101 9.550 -2.045 12.356 1.00 0.00 C ATOM 1446 CZ PHE A 101 9.053 -1.090 11.492 1.00 0.00 C ATOM 0 H PHE A 101 10.987 -5.202 7.402 1.00 0.00 H new ATOM 0 HA PHE A 101 11.981 -4.703 10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.120 -5.315 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.743 -5.752 10.902 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.894 -2.940 8.680 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.194 -4.067 12.577 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.433 -0.667 9.491 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.737 -1.794 13.390 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.847 -0.092 11.850 1.00 0.00 H new ATOM 1456 N ALA A 102 11.504 -7.376 10.547 1.00 0.00 N ATOM 1457 CA ALA A 102 11.822 -8.796 10.619 1.00 0.00 C ATOM 1458 C ALA A 102 10.950 -9.605 9.666 1.00 0.00 C ATOM 1459 O ALA A 102 9.879 -9.155 9.257 1.00 0.00 O ATOM 1460 CB ALA A 102 11.657 -9.302 12.045 1.00 0.00 C ATOM 0 H ALA A 102 11.184 -6.970 11.426 1.00 0.00 H new ATOM 0 HA ALA A 102 12.861 -8.925 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.898 -10.364 12.084 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.328 -8.753 12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.627 -9.151 12.368 1.00 0.00 H new ATOM 1466 N ALA A 103 11.414 -10.799 9.313 1.00 0.00 N ATOM 1467 CA ALA A 103 10.674 -11.670 8.409 1.00 0.00 C ATOM 1468 C ALA A 103 9.315 -12.039 8.991 1.00 0.00 C ATOM 1469 O ALA A 103 9.223 -12.832 9.929 1.00 0.00 O ATOM 1470 CB ALA A 103 11.480 -12.925 8.108 1.00 0.00 C ATOM 0 H ALA A 103 12.300 -11.185 9.640 1.00 0.00 H new ATOM 0 HA ALA A 103 10.506 -11.127 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.915 -13.567 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.425 -12.647 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.678 -13.461 9.036 1.00 0.00 H new ATOM 1476 N THR A 104 8.257 -11.459 8.429 1.00 0.00 N ATOM 1477 CA THR A 104 6.903 -11.726 8.894 1.00 0.00 C ATOM 1478 C THR A 104 6.031 -12.267 7.767 1.00 0.00 C ATOM 1479 O THR A 104 6.022 -11.725 6.662 1.00 0.00 O ATOM 1480 CB THR A 104 6.247 -10.458 9.471 1.00 0.00 C ATOM 1481 OG1 THR A 104 6.565 -9.326 8.653 1.00 0.00 O ATOM 1482 CG2 THR A 104 6.716 -10.206 10.896 1.00 0.00 C ATOM 0 H THR A 104 8.314 -10.802 7.651 1.00 0.00 H new ATOM 0 HA THR A 104 6.982 -12.476 9.681 1.00 0.00 H new ATOM 0 HB THR A 104 5.167 -10.608 9.481 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.143 -8.524 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.239 -9.305 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.447 -11.056 11.523 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.798 -10.076 10.905 1.00 0.00 H new ATOM 1490 N ASN A 105 5.299 -13.338 8.052 1.00 0.00 N ATOM 1491 CA ASN A 105 4.423 -13.952 7.061 1.00 0.00 C ATOM 1492 C ASN A 105 3.080 -13.231 7.001 1.00 0.00 C ATOM 1493 O ASN A 105 2.478 -12.933 8.032 1.00 0.00 O ATOM 1494 CB ASN A 105 4.206 -15.431 7.388 1.00 0.00 C ATOM 1495 CG ASN A 105 3.968 -15.668 8.867 1.00 0.00 C ATOM 1496 OD1 ASN A 105 3.480 -14.788 9.576 1.00 0.00 O ATOM 1497 ND2 ASN A 105 4.312 -16.860 9.338 1.00 0.00 N ATOM 0 H ASN A 105 5.295 -13.799 8.962 1.00 0.00 H new ATOM 0 HA ASN A 105 4.904 -13.869 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.353 -15.804 6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.077 -16.003 7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.175 -17.077 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.713 -17.559 8.713 1.00 0.00 H new ATOM 1504 N ALA A 106 2.617 -12.955 5.787 1.00 0.00 N ATOM 1505 CA ALA A 106 1.344 -12.272 5.592 1.00 0.00 C ATOM 1506 C ALA A 106 0.765 -12.572 4.213 1.00 0.00 C ATOM 1507 O ALA A 106 1.488 -12.961 3.296 1.00 0.00 O ATOM 1508 CB ALA A 106 1.517 -10.772 5.778 1.00 0.00 C ATOM 0 H ALA A 106 3.104 -13.194 4.923 1.00 0.00 H new ATOM 0 HA ALA A 106 0.643 -12.642 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.559 -10.274 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.879 -10.570 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.238 -10.396 5.052 1.00 0.00 H new ATOM 1514 N LYS A 107 -0.544 -12.390 4.073 1.00 0.00 N ATOM 1515 CA LYS A 107 -1.220 -12.641 2.806 1.00 0.00 C ATOM 1516 C LYS A 107 -1.332 -11.360 1.986 1.00 0.00 C ATOM 1517 O LYS A 107 -1.138 -11.371 0.769 1.00 0.00 O ATOM 1518 CB LYS A 107 -2.614 -13.222 3.056 1.00 0.00 C ATOM 1519 CG LYS A 107 -2.607 -14.471 3.919 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.580 -15.734 3.074 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.918 -16.456 3.110 1.00 0.00 C ATOM 1522 NZ LYS A 107 -3.868 -17.675 3.964 1.00 0.00 N ATOM 0 H LYS A 107 -1.158 -12.069 4.822 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.627 -13.362 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.234 -12.464 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.078 -13.455 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.738 -14.454 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.491 -14.478 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.330 -15.479 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.796 -16.399 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.685 -15.780 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.208 -16.734 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.799 -18.138 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.154 -18.332 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.616 -17.407 4.937 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.643 -10.257 2.659 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.779 -8.968 1.992 1.00 0.00 C ATOM 1538 C PHE A 108 -1.237 -7.842 2.868 1.00 0.00 C ATOM 1539 O PHE A 108 -1.172 -7.968 4.090 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.245 -8.700 1.647 1.00 0.00 C ATOM 1541 CG PHE A 108 -4.211 -9.487 2.486 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -4.654 -8.994 3.702 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.675 -10.720 2.058 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -5.544 -9.715 4.476 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.565 -11.446 2.828 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.998 -10.943 4.039 1.00 0.00 C ATOM 0 H PHE A 108 -1.805 -10.230 3.666 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.197 -9.001 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.451 -7.637 1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.412 -8.937 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.300 -8.035 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.338 -11.119 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.884 -9.318 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.921 -12.405 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.691 -11.510 4.643 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.847 -6.742 2.232 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.311 -5.593 2.953 1.00 0.00 C ATOM 1558 C VAL A 109 -1.290 -4.424 2.931 1.00 0.00 C ATOM 1559 O VAL A 109 -2.017 -4.228 1.957 1.00 0.00 O ATOM 1560 CB VAL A 109 1.032 -5.133 2.355 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.825 -4.526 0.976 1.00 0.00 C ATOM 1562 CG2 VAL A 109 1.717 -4.142 3.285 1.00 0.00 C ATOM 0 H VAL A 109 -0.892 -6.622 1.220 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.153 -5.912 3.983 1.00 0.00 H new ATOM 0 HB VAL A 109 1.678 -6.004 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.785 -4.207 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.381 -5.269 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.160 -3.666 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.664 -3.827 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.076 -3.272 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.902 -4.616 4.249 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.303 -3.650 4.012 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.194 -2.501 4.118 1.00 0.00 C ATOM 1574 C ARG A 110 -1.407 -1.228 4.413 1.00 0.00 C ATOM 1575 O ARG A 110 -0.555 -1.204 5.302 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.236 -2.736 5.214 1.00 0.00 C ATOM 1577 CG ARG A 110 -4.371 -1.726 5.201 1.00 0.00 C ATOM 1578 CD ARG A 110 -5.239 -1.846 6.443 1.00 0.00 C ATOM 1579 NE ARG A 110 -6.552 -2.411 6.142 1.00 0.00 N ATOM 1580 CZ ARG A 110 -7.608 -2.280 6.937 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -7.507 -1.607 8.074 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -8.769 -2.823 6.593 1.00 0.00 N ATOM 0 H ARG A 110 -0.707 -3.798 4.826 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.704 -2.379 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.651 -3.738 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.743 -2.703 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.961 -0.718 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.983 -1.877 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.735 -2.473 7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.363 -0.862 6.895 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.664 -2.935 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.616 -1.188 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.320 -1.508 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.850 -3.341 5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.580 -2.722 7.204 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.696 -0.171 3.661 1.00 0.00 N ATOM 1597 CA VAL A 111 -1.016 1.106 3.842 1.00 0.00 C ATOM 1598 C VAL A 111 -2.016 2.234 4.068 1.00 0.00 C ATOM 1599 O VAL A 111 -2.799 2.571 3.178 1.00 0.00 O ATOM 1600 CB VAL A 111 -0.136 1.450 2.626 1.00 0.00 C ATOM 1601 CG1 VAL A 111 0.889 2.513 2.992 1.00 0.00 C ATOM 1602 CG2 VAL A 111 0.546 0.200 2.092 1.00 0.00 C ATOM 0 H VAL A 111 -2.397 -0.174 2.920 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.382 1.005 4.723 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.774 1.852 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.502 2.743 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.375 3.415 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.526 2.143 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.164 0.461 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.173 -0.234 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.209 -0.525 1.789 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.985 2.816 5.261 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.890 3.905 5.605 1.00 0.00 C ATOM 1614 C TYR A 112 -2.112 5.171 5.950 1.00 0.00 C ATOM 1615 O TYR A 112 -1.079 5.116 6.617 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.782 3.505 6.781 1.00 0.00 C ATOM 1617 CG TYR A 112 -4.558 4.659 7.375 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -5.412 5.423 6.590 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -4.435 4.986 8.719 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -6.122 6.479 7.127 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -5.142 6.040 9.265 1.00 0.00 C ATOM 1622 CZ TYR A 112 -5.984 6.783 8.465 1.00 0.00 C ATOM 1623 OH TYR A 112 -6.689 7.834 9.005 1.00 0.00 O ATOM 0 H TYR A 112 -1.342 2.551 6.007 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.517 4.110 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.483 2.739 6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -3.164 3.056 7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.523 5.187 5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.776 4.407 9.348 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -6.782 7.063 6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.036 6.281 10.312 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.479 7.913 9.959 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.616 6.312 5.491 1.00 0.00 N ATOM 1634 CA ALA A 113 -1.972 7.593 5.753 1.00 0.00 C ATOM 1635 C ALA A 113 -2.642 8.317 6.915 1.00 0.00 C ATOM 1636 O ALA A 113 -3.425 7.727 7.661 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.995 8.460 4.503 1.00 0.00 C ATOM 0 H ALA A 113 -3.469 6.375 4.935 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.935 7.401 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.511 9.414 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.463 7.952 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.027 8.636 4.201 1.00 0.00 H new ATOM 1643 N THR A 114 -2.331 9.602 7.065 1.00 0.00 N ATOM 1644 CA THR A 114 -2.901 10.406 8.137 1.00 0.00 C ATOM 1645 C THR A 114 -3.722 11.563 7.580 1.00 0.00 C ATOM 1646 O THR A 114 -4.743 11.946 8.152 1.00 0.00 O ATOM 1647 CB THR A 114 -1.805 10.969 9.061 1.00 0.00 C ATOM 1648 OG1 THR A 114 -2.308 12.094 9.791 1.00 0.00 O ATOM 1649 CG2 THR A 114 -0.582 11.385 8.259 1.00 0.00 C ATOM 0 H THR A 114 -1.687 10.107 6.456 1.00 0.00 H new ATOM 0 HA THR A 114 -3.550 9.747 8.714 1.00 0.00 H new ATOM 0 HB THR A 114 -1.513 10.185 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.605 12.445 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.178 11.779 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.183 10.520 7.729 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.863 12.154 7.539 1.00 0.00 H new ATOM 1657 N THR A 115 -3.272 12.116 6.457 1.00 0.00 N ATOM 1658 CA THR A 115 -3.965 13.229 5.822 1.00 0.00 C ATOM 1659 C THR A 115 -3.930 13.104 4.304 1.00 0.00 C ATOM 1660 O THR A 115 -3.399 12.133 3.763 1.00 0.00 O ATOM 1661 CB THR A 115 -3.349 14.581 6.228 1.00 0.00 C ATOM 1662 OG1 THR A 115 -4.332 15.617 6.134 1.00 0.00 O ATOM 1663 CG2 THR A 115 -2.160 14.921 5.342 1.00 0.00 C ATOM 0 H THR A 115 -2.430 11.810 5.969 1.00 0.00 H new ATOM 0 HA THR A 115 -4.999 13.192 6.164 1.00 0.00 H new ATOM 0 HB THR A 115 -3.004 14.502 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.932 16.472 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.741 15.880 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.400 14.146 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 115 -2.486 14.981 4.304 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.499 14.091 3.619 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.534 14.090 2.162 1.00 0.00 C ATOM 1673 C ARG A 116 -3.133 14.282 1.585 1.00 0.00 C ATOM 1674 O ARG A 116 -2.139 14.207 2.306 1.00 0.00 O ATOM 1675 CB ARG A 116 -5.463 15.193 1.652 1.00 0.00 C ATOM 1676 CG ARG A 116 -4.881 16.590 1.787 1.00 0.00 C ATOM 1677 CD ARG A 116 -5.975 17.646 1.851 1.00 0.00 C ATOM 1678 NE ARG A 116 -6.216 18.100 3.219 1.00 0.00 N ATOM 1679 CZ ARG A 116 -5.453 18.991 3.842 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -4.406 19.520 3.225 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -5.738 19.355 5.086 1.00 0.00 N ATOM 0 H ARG A 116 -4.942 14.902 4.051 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.915 13.123 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.695 15.005 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.404 15.146 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.268 16.645 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.225 16.795 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.695 18.497 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.897 17.239 1.436 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.013 17.712 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.184 19.243 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.822 20.204 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.543 18.950 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.152 20.039 5.564 1.00 0.00 H new ATOM 1695 N ALA A 117 -3.065 14.531 0.282 1.00 0.00 N ATOM 1696 CA ALA A 117 -1.789 14.736 -0.392 1.00 0.00 C ATOM 1697 C ALA A 117 -1.575 16.207 -0.729 1.00 0.00 C ATOM 1698 O ALA A 117 -0.860 16.919 -0.025 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.715 13.886 -1.652 1.00 0.00 C ATOM 0 H ALA A 117 -3.879 14.596 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.994 14.428 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.757 14.049 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.812 12.833 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.523 14.166 -2.328 1.00 0.00 H new ATOM 1705 N THR A 118 -2.201 16.658 -1.812 1.00 0.00 N ATOM 1706 CA THR A 118 -2.079 18.044 -2.244 1.00 0.00 C ATOM 1707 C THR A 118 -3.175 18.409 -3.239 1.00 0.00 C ATOM 1708 O THR A 118 -3.703 19.519 -3.216 1.00 0.00 O ATOM 1709 CB THR A 118 -0.706 18.312 -2.888 1.00 0.00 C ATOM 1710 OG1 THR A 118 0.258 17.377 -2.393 1.00 0.00 O ATOM 1711 CG2 THR A 118 -0.240 19.731 -2.598 1.00 0.00 C ATOM 0 H THR A 118 -2.798 16.082 -2.406 1.00 0.00 H new ATOM 0 HA THR A 118 -2.181 18.663 -1.353 1.00 0.00 H new ATOM 0 HB THR A 118 -0.806 18.193 -3.967 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.910 17.846 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.732 19.897 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.962 20.441 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.156 19.873 -1.521 1.00 0.00 H new ATOM 1719 N ALA A 119 -3.512 17.465 -4.114 1.00 0.00 N ATOM 1720 CA ALA A 119 -4.546 17.687 -5.115 1.00 0.00 C ATOM 1721 C ALA A 119 -4.699 16.472 -6.024 1.00 0.00 C ATOM 1722 O ALA A 119 -5.781 16.212 -6.553 1.00 0.00 O ATOM 1723 CB ALA A 119 -4.227 18.926 -5.938 1.00 0.00 C ATOM 0 H ALA A 119 -3.083 16.540 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.492 17.842 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.008 19.080 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.175 19.795 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.269 18.792 -6.440 1.00 0.00 H new ATOM 1729 N TYR A 120 -3.610 15.732 -6.203 1.00 0.00 N ATOM 1730 CA TYR A 120 -3.624 14.545 -7.051 1.00 0.00 C ATOM 1731 C TYR A 120 -3.904 13.291 -6.229 1.00 0.00 C ATOM 1732 O TYR A 120 -3.346 12.227 -6.490 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.288 14.402 -7.783 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.411 13.753 -9.144 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.386 12.797 -9.394 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.552 14.098 -10.179 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -3.501 12.201 -10.635 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -1.660 13.510 -11.424 1.00 0.00 C ATOM 1739 CZ TYR A 120 -2.636 12.561 -11.647 1.00 0.00 C ATOM 1740 OH TYR A 120 -2.748 11.971 -12.885 1.00 0.00 O ATOM 0 H TYR A 120 -2.707 15.933 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.422 14.661 -7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.839 15.388 -7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.608 13.813 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.067 12.514 -8.605 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.786 14.839 -10.007 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.264 11.457 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.984 13.791 -12.218 1.00 0.00 H new ATOM 0 HH TYR A 120 -2.064 12.337 -13.485 1.00 0.00 H new ATOM 1750 N GLY A 121 -4.774 13.426 -5.232 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.115 12.298 -4.386 1.00 0.00 C ATOM 1752 C GLY A 121 -3.896 11.501 -3.965 1.00 0.00 C ATOM 1753 O GLY A 121 -2.907 12.067 -3.497 1.00 0.00 O ATOM 0 H GLY A 121 -5.249 14.297 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.635 12.658 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.807 11.645 -4.918 1.00 0.00 H new ATOM 1757 N TYR A 122 -3.966 10.184 -4.126 1.00 0.00 N ATOM 1758 CA TYR A 122 -2.861 9.308 -3.754 1.00 0.00 C ATOM 1759 C TYR A 122 -2.212 8.697 -4.991 1.00 0.00 C ATOM 1760 O TYR A 122 -2.897 8.287 -5.928 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.354 8.201 -2.821 1.00 0.00 C ATOM 1762 CG TYR A 122 -3.442 8.622 -1.372 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -4.022 9.832 -1.014 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -2.943 7.811 -0.360 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -4.103 10.222 0.308 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -3.021 8.191 0.965 1.00 0.00 C ATOM 1767 CZ TYR A 122 -3.602 9.398 1.295 1.00 0.00 C ATOM 1768 OH TYR A 122 -3.682 9.783 2.613 1.00 0.00 O ATOM 0 H TYR A 122 -4.777 9.700 -4.512 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.114 9.906 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.337 7.869 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -2.684 7.345 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -4.417 10.479 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.486 6.866 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -4.556 11.167 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.629 7.547 1.739 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.683 10.761 2.669 1.00 0.00 H new ATOM 1778 N SER A 123 -0.884 8.638 -4.985 1.00 0.00 N ATOM 1779 CA SER A 123 -0.138 8.080 -6.108 1.00 0.00 C ATOM 1780 C SER A 123 0.565 6.788 -5.703 1.00 0.00 C ATOM 1781 O SER A 123 0.938 6.607 -4.543 1.00 0.00 O ATOM 1782 CB SER A 123 0.886 9.092 -6.622 1.00 0.00 C ATOM 1783 OG SER A 123 0.317 10.386 -6.726 1.00 0.00 O ATOM 0 H SER A 123 -0.302 8.970 -4.215 1.00 0.00 H new ATOM 0 HA SER A 123 -0.845 7.854 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.743 9.121 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.257 8.775 -7.597 1.00 0.00 H new ATOM 0 HG SER A 123 0.857 10.933 -7.334 1.00 0.00 H new ATOM 1789 N LEU A 124 0.743 5.892 -6.668 1.00 0.00 N ATOM 1790 CA LEU A 124 1.402 4.614 -6.413 1.00 0.00 C ATOM 1791 C LEU A 124 1.925 4.005 -7.711 1.00 0.00 C ATOM 1792 O LEU A 124 1.260 3.175 -8.330 1.00 0.00 O ATOM 1793 CB LEU A 124 0.434 3.645 -5.734 1.00 0.00 C ATOM 1794 CG LEU A 124 1.049 2.359 -5.181 1.00 0.00 C ATOM 1795 CD1 LEU A 124 0.772 2.232 -3.692 1.00 0.00 C ATOM 1796 CD2 LEU A 124 0.515 1.147 -5.930 1.00 0.00 C ATOM 0 H LEU A 124 0.441 6.026 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 124 2.248 4.794 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.059 4.169 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.341 3.374 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 124 2.128 2.404 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.217 1.311 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.204 3.084 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.305 2.210 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.964 0.241 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.568 1.098 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.766 1.233 -6.987 1.00 0.00 H new ATOM 1808 N TRP A 125 3.119 4.421 -8.114 1.00 0.00 N ATOM 1809 CA TRP A 125 3.733 3.914 -9.336 1.00 0.00 C ATOM 1810 C TRP A 125 4.876 2.956 -9.014 1.00 0.00 C ATOM 1811 O TRP A 125 5.320 2.196 -9.874 1.00 0.00 O ATOM 1812 CB TRP A 125 4.247 5.073 -10.192 1.00 0.00 C ATOM 1813 CG TRP A 125 3.151 5.919 -10.766 1.00 0.00 C ATOM 1814 CD1 TRP A 125 2.069 6.420 -10.100 1.00 0.00 C ATOM 1815 CD2 TRP A 125 3.029 6.359 -12.122 1.00 0.00 C ATOM 1816 NE1 TRP A 125 1.283 7.147 -10.961 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.850 7.125 -12.207 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.802 6.183 -13.273 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.428 7.711 -13.398 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.383 6.765 -14.454 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.205 7.523 -14.509 1.00 0.00 C ATOM 0 H TRP A 125 3.682 5.108 -7.613 1.00 0.00 H new ATOM 0 HA TRP A 125 2.973 3.368 -9.896 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.901 5.700 -9.586 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.852 4.674 -11.006 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.862 6.267 -9.051 1.00 0.00 H new ATOM 0 HE1 TRP A 125 0.417 7.626 -10.712 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.712 5.602 -13.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.520 8.293 -13.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.973 6.634 -15.349 1.00 0.00 H new ATOM 0 HH2 TRP A 125 1.905 7.967 -15.446 1.00 0.00 H new ATOM 1832 N GLU A 126 5.347 3.000 -7.772 1.00 0.00 N ATOM 1833 CA GLU A 126 6.439 2.137 -7.340 1.00 0.00 C ATOM 1834 C GLU A 126 6.163 1.563 -5.953 1.00 0.00 C ATOM 1835 O GLU A 126 6.762 1.985 -4.963 1.00 0.00 O ATOM 1836 CB GLU A 126 7.758 2.911 -7.329 1.00 0.00 C ATOM 1837 CG GLU A 126 8.568 2.753 -8.606 1.00 0.00 C ATOM 1838 CD GLU A 126 8.863 4.079 -9.278 1.00 0.00 C ATOM 1839 OE1 GLU A 126 7.940 4.916 -9.369 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.016 4.281 -9.714 1.00 0.00 O ATOM 0 H GLU A 126 4.990 3.624 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 126 6.516 1.312 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.547 3.969 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.359 2.576 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.507 2.250 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.024 2.112 -9.300 1.00 0.00 H new ATOM 1847 N PHE A 127 5.251 0.598 -5.889 1.00 0.00 N ATOM 1848 CA PHE A 127 4.893 -0.032 -4.624 1.00 0.00 C ATOM 1849 C PHE A 127 5.123 -1.539 -4.683 1.00 0.00 C ATOM 1850 O PHE A 127 4.320 -2.278 -5.253 1.00 0.00 O ATOM 1851 CB PHE A 127 3.430 0.258 -4.280 1.00 0.00 C ATOM 1852 CG PHE A 127 2.969 -0.404 -3.014 1.00 0.00 C ATOM 1853 CD1 PHE A 127 3.874 -0.729 -2.017 1.00 0.00 C ATOM 1854 CD2 PHE A 127 1.630 -0.701 -2.819 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.453 -1.339 -0.851 1.00 0.00 C ATOM 1856 CE2 PHE A 127 1.201 -1.311 -1.656 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.114 -1.630 -0.669 1.00 0.00 C ATOM 0 H PHE A 127 4.747 0.236 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 127 5.532 0.386 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.294 1.335 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 127 2.799 -0.074 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.921 -0.503 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.912 -0.452 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.170 -1.588 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.154 -1.538 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.782 -2.105 0.242 1.00 0.00 H new ATOM 1867 N GLU A 128 6.226 -1.987 -4.092 1.00 0.00 N ATOM 1868 CA GLU A 128 6.563 -3.406 -4.079 1.00 0.00 C ATOM 1869 C GLU A 128 6.566 -3.952 -2.654 1.00 0.00 C ATOM 1870 O GLU A 128 7.216 -3.398 -1.768 1.00 0.00 O ATOM 1871 CB GLU A 128 7.930 -3.635 -4.729 1.00 0.00 C ATOM 1872 CG GLU A 128 8.114 -5.038 -5.282 1.00 0.00 C ATOM 1873 CD GLU A 128 9.413 -5.197 -6.047 1.00 0.00 C ATOM 1874 OE1 GLU A 128 10.131 -4.189 -6.214 1.00 0.00 O ATOM 1875 OE2 GLU A 128 9.712 -6.331 -6.478 1.00 0.00 O ATOM 0 H GLU A 128 6.901 -1.389 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 128 5.804 -3.939 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.064 -2.915 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 128 8.710 -3.438 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.090 -5.754 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.278 -5.278 -5.939 1.00 0.00 H new ATOM 1882 N VAL A 129 5.835 -5.041 -2.442 1.00 0.00 N ATOM 1883 CA VAL A 129 5.754 -5.663 -1.126 1.00 0.00 C ATOM 1884 C VAL A 129 6.136 -7.137 -1.190 1.00 0.00 C ATOM 1885 O VAL A 129 5.431 -7.947 -1.793 1.00 0.00 O ATOM 1886 CB VAL A 129 4.339 -5.536 -0.531 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.294 -5.982 -1.542 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.227 -6.342 0.754 1.00 0.00 C ATOM 0 H VAL A 129 5.290 -5.511 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 129 6.459 -5.136 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 129 4.156 -4.488 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.300 -5.886 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.360 -5.358 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.471 -7.023 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.221 -6.241 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.429 -7.392 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.951 -5.972 1.480 1.00 0.00 H new ATOM 1898 N TYR A 130 7.257 -7.480 -0.564 1.00 0.00 N ATOM 1899 CA TYR A 130 7.735 -8.858 -0.551 1.00 0.00 C ATOM 1900 C TYR A 130 9.067 -8.966 0.184 1.00 0.00 C ATOM 1901 O TYR A 130 9.766 -7.972 0.375 1.00 0.00 O ATOM 1902 CB TYR A 130 7.884 -9.381 -1.980 1.00 0.00 C ATOM 1903 CG TYR A 130 7.207 -10.713 -2.211 1.00 0.00 C ATOM 1904 CD1 TYR A 130 5.915 -10.947 -1.756 1.00 0.00 C ATOM 1905 CD2 TYR A 130 7.859 -11.739 -2.887 1.00 0.00 C ATOM 1906 CE1 TYR A 130 5.293 -12.162 -1.966 1.00 0.00 C ATOM 1907 CE2 TYR A 130 7.244 -12.957 -3.101 1.00 0.00 C ATOM 1908 CZ TYR A 130 5.961 -13.164 -2.638 1.00 0.00 C ATOM 1909 OH TYR A 130 5.345 -14.375 -2.849 1.00 0.00 O ATOM 0 H TYR A 130 7.851 -6.823 -0.059 1.00 0.00 H new ATOM 0 HA TYR A 130 7.000 -9.466 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.469 -8.647 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.944 -9.476 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.388 -10.165 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 130 8.863 -11.580 -3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.288 -12.327 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.765 -13.743 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 130 5.952 -14.970 -3.338 1.00 0.00 H new ATOM 1919 N GLY A 131 9.413 -10.183 0.594 1.00 0.00 N ATOM 1920 CA GLY A 131 10.660 -10.400 1.303 1.00 0.00 C ATOM 1921 C GLY A 131 11.747 -10.958 0.407 1.00 0.00 C ATOM 1922 O GLY A 131 11.991 -12.164 0.394 1.00 0.00 O ATOM 0 H GLY A 131 8.852 -11.022 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.998 -9.458 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.488 -11.087 2.132 1.00 0.00 H new TER 1926 GLY A 131