USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 Single : A 8 TYR OH : rot -59:sc= -6.7! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -4.22! C(o=-4.2!,f=-19!) USER MOD Single : A 17 SER OG : rot -42:sc= -0.735! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.89) USER MOD Single : A 40 GLN : amide:sc= -0.0125 X(o=-0.013,f=0.13) USER MOD Single : A 44 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00896 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -179:sc= -0.15 (180deg=-0.154) USER MOD Single : A 54 GLN : amide:sc= -5.77! C(o=-5.8!,f=-3.7!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.079) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.139) USER MOD Single : A 71 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.2) USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.282 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0451 K(o=-0.045,f=-3!) USER MOD Single : A 80 TYR OH : rot -14:sc= 1.23 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 13.495 -1.453 18.217 1.00 0.00 N ATOM 2 CA TYR A 8 12.400 -2.132 17.471 1.00 0.00 C ATOM 3 C TYR A 8 12.753 -2.189 15.983 1.00 0.00 C ATOM 4 O TYR A 8 12.537 -1.245 15.249 1.00 0.00 O ATOM 5 CB TYR A 8 11.099 -1.349 17.655 1.00 0.00 C ATOM 6 CG TYR A 8 9.952 -2.154 17.101 1.00 0.00 C ATOM 7 CD1 TYR A 8 9.307 -3.098 17.908 1.00 0.00 C ATOM 8 CD2 TYR A 8 9.536 -1.963 15.778 1.00 0.00 C ATOM 9 CE1 TYR A 8 8.248 -3.853 17.391 1.00 0.00 C ATOM 10 CE2 TYR A 8 8.476 -2.716 15.262 1.00 0.00 C ATOM 11 CZ TYR A 8 7.832 -3.661 16.070 1.00 0.00 C ATOM 12 OH TYR A 8 6.792 -4.409 15.563 1.00 0.00 O ATOM 0 HA TYR A 8 12.274 -3.145 17.853 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.934 -1.138 18.712 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.164 -0.388 17.145 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.626 -3.244 18.929 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.034 -1.234 15.156 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.752 -4.584 18.012 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.155 -2.569 14.241 1.00 0.00 H new ATOM 0 HH TYR A 8 7.017 -5.361 15.618 1.00 0.00 H new ATOM 22 N VAL A 9 13.297 -3.286 15.531 1.00 0.00 N ATOM 23 CA VAL A 9 13.663 -3.394 14.089 1.00 0.00 C ATOM 24 C VAL A 9 12.930 -4.576 13.451 1.00 0.00 C ATOM 25 O VAL A 9 13.535 -5.440 12.850 1.00 0.00 O ATOM 26 CB VAL A 9 15.172 -3.604 13.963 1.00 0.00 C ATOM 27 CG1 VAL A 9 15.903 -2.315 14.346 1.00 0.00 C ATOM 28 CG2 VAL A 9 15.609 -4.733 14.900 1.00 0.00 C ATOM 0 H VAL A 9 13.504 -4.110 16.095 1.00 0.00 H new ATOM 0 HA VAL A 9 13.375 -2.476 13.577 1.00 0.00 H new ATOM 0 HB VAL A 9 15.416 -3.868 12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.979 -2.466 14.256 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.593 -1.509 13.681 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.659 -2.050 15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.685 -4.884 14.811 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.364 -4.468 15.928 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.090 -5.652 14.629 1.00 0.00 H new ATOM 38 N ALA A 10 11.629 -4.620 13.569 1.00 0.00 N ATOM 39 CA ALA A 10 10.868 -5.746 12.957 1.00 0.00 C ATOM 40 C ALA A 10 9.403 -5.703 13.413 1.00 0.00 C ATOM 41 O ALA A 10 9.114 -5.313 14.528 1.00 0.00 O ATOM 42 CB ALA A 10 11.491 -7.074 13.384 1.00 0.00 C ATOM 0 H ALA A 10 11.064 -3.928 14.061 1.00 0.00 H new ATOM 0 HA ALA A 10 10.908 -5.652 11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.935 -7.898 12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.528 -7.113 13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.456 -7.160 14.470 1.00 0.00 H new ATOM 48 N PRO A 11 8.523 -6.109 12.530 1.00 0.00 N ATOM 49 CA PRO A 11 7.073 -6.136 12.797 1.00 0.00 C ATOM 50 C PRO A 11 6.697 -7.399 13.589 1.00 0.00 C ATOM 51 O PRO A 11 7.509 -7.959 14.297 1.00 0.00 O ATOM 52 CB PRO A 11 6.459 -6.164 11.393 1.00 0.00 C ATOM 53 CG PRO A 11 7.548 -6.721 10.446 1.00 0.00 C ATOM 54 CD PRO A 11 8.894 -6.573 11.178 1.00 0.00 C ATOM 0 HA PRO A 11 6.726 -5.293 13.394 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.569 -6.792 11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.151 -5.165 11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.352 -7.766 10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.558 -6.173 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.433 -7.520 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.544 -5.856 10.676 1.00 0.00 H new ATOM 62 N THR A 12 5.473 -7.856 13.476 1.00 0.00 N ATOM 63 CA THR A 12 5.070 -9.082 14.228 1.00 0.00 C ATOM 64 C THR A 12 4.464 -10.114 13.268 1.00 0.00 C ATOM 65 O THR A 12 4.938 -11.230 13.170 1.00 0.00 O ATOM 66 CB THR A 12 4.049 -8.722 15.315 1.00 0.00 C ATOM 67 OG1 THR A 12 3.491 -9.916 15.846 1.00 0.00 O ATOM 68 CG2 THR A 12 2.933 -7.858 14.725 1.00 0.00 C ATOM 0 H THR A 12 4.743 -7.436 12.901 1.00 0.00 H new ATOM 0 HA THR A 12 5.955 -9.510 14.699 1.00 0.00 H new ATOM 0 HB THR A 12 4.550 -8.163 16.105 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.839 -9.691 16.542 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.214 -7.609 15.506 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.359 -6.941 14.318 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.429 -8.408 13.930 1.00 0.00 H new ATOM 76 N ASN A 13 3.429 -9.760 12.551 1.00 0.00 N ATOM 77 CA ASN A 13 2.815 -10.729 11.603 1.00 0.00 C ATOM 78 C ASN A 13 2.631 -10.029 10.257 1.00 0.00 C ATOM 79 O ASN A 13 2.908 -8.853 10.125 1.00 0.00 O ATOM 80 CB ASN A 13 1.460 -11.197 12.152 1.00 0.00 C ATOM 81 CG ASN A 13 0.457 -10.043 12.111 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.768 -8.970 11.645 1.00 0.00 O ATOM 83 ND2 ASN A 13 -0.746 -10.221 12.587 1.00 0.00 N ATOM 0 H ASN A 13 2.985 -8.842 12.583 1.00 0.00 H new ATOM 0 HA ASN A 13 3.456 -11.602 11.479 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.088 -12.035 11.562 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.576 -11.554 13.175 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.421 -9.457 12.566 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.010 -11.124 12.980 1.00 0.00 H new ATOM 90 N ALA A 14 2.180 -10.721 9.251 1.00 0.00 N ATOM 91 CA ALA A 14 2.011 -10.045 7.939 1.00 0.00 C ATOM 92 C ALA A 14 0.780 -9.144 7.969 1.00 0.00 C ATOM 93 O ALA A 14 0.784 -8.069 7.409 1.00 0.00 O ATOM 94 CB ALA A 14 1.870 -11.069 6.827 1.00 0.00 C ATOM 0 H ALA A 14 1.925 -11.708 9.278 1.00 0.00 H new ATOM 0 HA ALA A 14 2.896 -9.438 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.747 -10.556 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.763 -11.692 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.998 -11.695 7.017 1.00 0.00 H new ATOM 100 N VAL A 15 -0.273 -9.528 8.630 1.00 0.00 N ATOM 101 CA VAL A 15 -1.442 -8.609 8.661 1.00 0.00 C ATOM 102 C VAL A 15 -0.926 -7.262 9.149 1.00 0.00 C ATOM 103 O VAL A 15 -1.159 -6.220 8.553 1.00 0.00 O ATOM 104 CB VAL A 15 -2.525 -9.133 9.594 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.778 -8.272 9.422 1.00 0.00 C ATOM 106 CG2 VAL A 15 -2.849 -10.580 9.224 1.00 0.00 C ATOM 0 H VAL A 15 -0.376 -10.408 9.135 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.891 -8.525 7.671 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.183 -9.090 10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.563 -8.636 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.545 -7.237 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.120 -8.329 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.624 -10.961 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.202 -10.622 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.952 -11.191 9.325 1.00 0.00 H new ATOM 116 N GLU A 16 -0.167 -7.286 10.208 1.00 0.00 N ATOM 117 CA GLU A 16 0.420 -6.029 10.706 1.00 0.00 C ATOM 118 C GLU A 16 1.464 -5.583 9.683 1.00 0.00 C ATOM 119 O GLU A 16 1.706 -4.414 9.513 1.00 0.00 O ATOM 120 CB GLU A 16 1.072 -6.247 12.073 1.00 0.00 C ATOM 121 CG GLU A 16 1.967 -5.052 12.402 1.00 0.00 C ATOM 122 CD GLU A 16 3.354 -5.281 11.806 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.570 -6.346 11.253 1.00 0.00 O ATOM 124 OE2 GLU A 16 4.178 -4.387 11.911 1.00 0.00 O ATOM 0 H GLU A 16 0.067 -8.122 10.743 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.350 -5.267 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.306 -6.364 12.840 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.659 -7.165 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.533 -4.136 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.039 -4.924 13.482 1.00 0.00 H new ATOM 131 N SER A 17 2.075 -6.510 8.977 1.00 0.00 N ATOM 132 CA SER A 17 3.077 -6.094 7.953 1.00 0.00 C ATOM 133 C SER A 17 2.412 -5.087 7.011 1.00 0.00 C ATOM 134 O SER A 17 2.935 -4.016 6.755 1.00 0.00 O ATOM 135 CB SER A 17 3.598 -7.287 7.149 1.00 0.00 C ATOM 136 OG SER A 17 2.630 -7.682 6.188 1.00 0.00 O ATOM 0 H SER A 17 1.924 -7.515 9.066 1.00 0.00 H new ATOM 0 HA SER A 17 3.932 -5.647 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.530 -7.022 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.819 -8.119 7.818 1.00 0.00 H new ATOM 0 HG SER A 17 1.738 -7.658 6.593 1.00 0.00 H new ATOM 142 N LYS A 18 1.244 -5.412 6.511 1.00 0.00 N ATOM 143 CA LYS A 18 0.537 -4.461 5.610 1.00 0.00 C ATOM 144 C LYS A 18 0.266 -3.176 6.386 1.00 0.00 C ATOM 145 O LYS A 18 0.591 -2.089 5.943 1.00 0.00 O ATOM 146 CB LYS A 18 -0.792 -5.066 5.142 1.00 0.00 C ATOM 147 CG LYS A 18 -1.663 -3.970 4.510 1.00 0.00 C ATOM 148 CD LYS A 18 -0.899 -3.303 3.363 1.00 0.00 C ATOM 149 CE LYS A 18 -1.607 -3.592 2.037 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.591 -3.936 1.002 1.00 0.00 N ATOM 0 H LYS A 18 0.756 -6.290 6.689 1.00 0.00 H new ATOM 0 HA LYS A 18 1.153 -4.254 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.607 -5.860 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.314 -5.518 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.593 -4.400 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.932 -3.227 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.841 -2.227 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.125 -3.676 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.312 -4.415 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.184 -2.722 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.068 -4.133 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.064 -3.138 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.059 -4.777 1.304 1.00 0.00 H new ATOM 164 N LEU A 19 -0.319 -3.287 7.551 1.00 0.00 N ATOM 165 CA LEU A 19 -0.595 -2.061 8.355 1.00 0.00 C ATOM 166 C LEU A 19 0.720 -1.335 8.630 1.00 0.00 C ATOM 167 O LEU A 19 0.799 -0.130 8.560 1.00 0.00 O ATOM 168 CB LEU A 19 -1.257 -2.446 9.679 1.00 0.00 C ATOM 169 CG LEU A 19 -2.719 -2.818 9.433 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.143 -3.902 10.426 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.597 -1.580 9.626 1.00 0.00 C ATOM 0 H LEU A 19 -0.615 -4.166 7.977 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.267 -1.406 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.729 -3.286 10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.196 -1.616 10.383 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.834 -3.192 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.186 -4.168 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.516 -4.784 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.030 -3.528 11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.640 -1.843 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.482 -1.208 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.295 -0.806 8.921 1.00 0.00 H new ATOM 183 N ALA A 20 1.760 -2.055 8.928 1.00 0.00 N ATOM 184 CA ALA A 20 3.061 -1.392 9.185 1.00 0.00 C ATOM 185 C ALA A 20 3.372 -0.481 8.000 1.00 0.00 C ATOM 186 O ALA A 20 3.741 0.666 8.162 1.00 0.00 O ATOM 187 CB ALA A 20 4.157 -2.452 9.328 1.00 0.00 C ATOM 0 H ALA A 20 1.765 -3.072 9.004 1.00 0.00 H new ATOM 0 HA ALA A 20 3.016 -0.809 10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.113 -1.964 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.917 -3.114 10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.222 -3.034 8.409 1.00 0.00 H new ATOM 193 N GLU A 21 3.206 -0.983 6.803 1.00 0.00 N ATOM 194 CA GLU A 21 3.475 -0.142 5.603 1.00 0.00 C ATOM 195 C GLU A 21 2.468 1.012 5.560 1.00 0.00 C ATOM 196 O GLU A 21 2.827 2.162 5.713 1.00 0.00 O ATOM 197 CB GLU A 21 3.342 -0.995 4.338 1.00 0.00 C ATOM 198 CG GLU A 21 4.681 -1.672 4.042 1.00 0.00 C ATOM 199 CD GLU A 21 4.569 -2.478 2.747 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.798 -3.423 2.726 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.257 -2.137 1.799 1.00 0.00 O ATOM 0 H GLU A 21 2.897 -1.935 6.607 1.00 0.00 H new ATOM 0 HA GLU A 21 4.486 0.261 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.563 -1.746 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.042 -0.372 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.467 -0.923 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.960 -2.327 4.868 1.00 0.00 H new ATOM 208 N ILE A 22 1.211 0.717 5.364 1.00 0.00 N ATOM 209 CA ILE A 22 0.193 1.807 5.326 1.00 0.00 C ATOM 210 C ILE A 22 0.450 2.763 6.489 1.00 0.00 C ATOM 211 O ILE A 22 0.458 3.969 6.337 1.00 0.00 O ATOM 212 CB ILE A 22 -1.217 1.198 5.410 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.194 2.145 6.107 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.182 -0.112 6.157 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.477 3.350 5.212 1.00 0.00 C ATOM 0 H ILE A 22 0.846 -0.226 5.229 1.00 0.00 H new ATOM 0 HA ILE A 22 0.266 2.363 4.391 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.560 1.031 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.123 1.622 6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.777 2.477 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.188 -0.529 6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.525 -0.810 5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.808 0.055 7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.174 4.021 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.546 3.879 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.913 3.011 4.273 1.00 0.00 H new ATOM 227 N TRP A 23 0.659 2.220 7.643 1.00 0.00 N ATOM 228 CA TRP A 23 0.920 3.056 8.849 1.00 0.00 C ATOM 229 C TRP A 23 2.026 4.078 8.575 1.00 0.00 C ATOM 230 O TRP A 23 1.811 5.273 8.624 1.00 0.00 O ATOM 231 CB TRP A 23 1.387 2.159 9.991 1.00 0.00 C ATOM 232 CG TRP A 23 0.225 1.703 10.801 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.827 0.992 10.330 1.00 0.00 C ATOM 234 CD2 TRP A 23 -0.017 1.906 12.220 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.693 0.736 11.376 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.236 1.281 12.559 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.700 2.563 13.237 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.727 1.304 13.859 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.206 2.591 14.549 1.00 0.00 C ATOM 240 CH2 TRP A 23 -1.005 1.961 14.861 1.00 0.00 C ATOM 0 H TRP A 23 0.662 1.214 7.813 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.002 3.576 9.108 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.920 1.297 9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.089 2.701 10.624 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.966 0.677 9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.562 0.210 11.285 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.636 3.049 13.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.662 0.817 14.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.762 3.101 15.322 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.381 1.982 15.873 1.00 0.00 H new ATOM 251 N GLU A 24 3.221 3.615 8.324 1.00 0.00 N ATOM 252 CA GLU A 24 4.353 4.555 8.092 1.00 0.00 C ATOM 253 C GLU A 24 4.054 5.463 6.890 1.00 0.00 C ATOM 254 O GLU A 24 4.392 6.631 6.882 1.00 0.00 O ATOM 255 CB GLU A 24 5.646 3.746 7.854 1.00 0.00 C ATOM 256 CG GLU A 24 5.908 3.555 6.353 1.00 0.00 C ATOM 257 CD GLU A 24 7.194 2.750 6.150 1.00 0.00 C ATOM 258 OE1 GLU A 24 8.258 3.310 6.352 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.091 1.587 5.795 1.00 0.00 O ATOM 0 H GLU A 24 3.461 2.625 8.270 1.00 0.00 H new ATOM 0 HA GLU A 24 4.484 5.188 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.491 4.261 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.565 2.773 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.067 3.038 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.994 4.525 5.863 1.00 0.00 H new ATOM 266 N ARG A 25 3.440 4.928 5.874 1.00 0.00 N ATOM 267 CA ARG A 25 3.134 5.741 4.662 1.00 0.00 C ATOM 268 C ARG A 25 2.169 6.884 5.013 1.00 0.00 C ATOM 269 O ARG A 25 2.484 8.045 4.841 1.00 0.00 O ATOM 270 CB ARG A 25 2.516 4.815 3.597 1.00 0.00 C ATOM 271 CG ARG A 25 1.518 5.577 2.714 1.00 0.00 C ATOM 272 CD ARG A 25 1.494 4.953 1.319 1.00 0.00 C ATOM 273 NE ARG A 25 2.428 5.694 0.428 1.00 0.00 N ATOM 274 CZ ARG A 25 1.966 6.364 -0.592 1.00 0.00 C ATOM 275 NH1 ARG A 25 1.064 7.290 -0.412 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.406 6.106 -1.793 1.00 0.00 N ATOM 0 H ARG A 25 3.134 3.956 5.829 1.00 0.00 H new ATOM 0 HA ARG A 25 4.049 6.188 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.306 4.392 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.012 3.981 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.523 5.542 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.801 6.628 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.782 3.903 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.483 4.985 0.912 1.00 0.00 H new ATOM 0 HE ARG A 25 3.431 5.678 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.719 7.491 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.704 7.813 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.110 5.381 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.046 6.629 -2.591 1.00 0.00 H new ATOM 290 N VAL A 26 0.990 6.566 5.469 1.00 0.00 N ATOM 291 CA VAL A 26 -0.001 7.636 5.790 1.00 0.00 C ATOM 292 C VAL A 26 0.353 8.349 7.098 1.00 0.00 C ATOM 293 O VAL A 26 0.101 9.528 7.252 1.00 0.00 O ATOM 294 CB VAL A 26 -1.390 7.010 5.908 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.453 8.109 5.864 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.604 6.045 4.741 1.00 0.00 C ATOM 0 H VAL A 26 0.668 5.612 5.634 1.00 0.00 H new ATOM 0 HA VAL A 26 0.015 8.375 4.989 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.470 6.470 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.443 7.661 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.296 8.800 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.378 8.650 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.593 5.594 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.526 6.589 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.845 5.263 4.772 1.00 0.00 H new ATOM 306 N LEU A 27 0.921 7.660 8.048 1.00 0.00 N ATOM 307 CA LEU A 27 1.263 8.329 9.336 1.00 0.00 C ATOM 308 C LEU A 27 2.591 9.080 9.195 1.00 0.00 C ATOM 309 O LEU A 27 2.987 9.830 10.064 1.00 0.00 O ATOM 310 CB LEU A 27 1.359 7.276 10.440 1.00 0.00 C ATOM 311 CG LEU A 27 0.084 6.427 10.429 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.115 5.430 11.587 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.140 7.336 10.574 1.00 0.00 C ATOM 0 H LEU A 27 1.162 6.671 7.991 1.00 0.00 H new ATOM 0 HA LEU A 27 0.486 9.048 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.234 6.645 10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.483 7.757 11.410 1.00 0.00 H new ATOM 0 HG LEU A 27 0.025 5.883 9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.794 4.829 11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.982 4.778 11.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.179 5.971 12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.046 6.730 10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.078 7.883 11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.169 8.043 9.745 1.00 0.00 H new ATOM 325 N GLY A 28 3.271 8.897 8.096 1.00 0.00 N ATOM 326 CA GLY A 28 4.563 9.613 7.881 1.00 0.00 C ATOM 327 C GLY A 28 5.575 9.223 8.961 1.00 0.00 C ATOM 328 O GLY A 28 6.150 10.069 9.618 1.00 0.00 O ATOM 0 H GLY A 28 2.987 8.280 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.961 9.370 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.397 10.690 7.901 1.00 0.00 H new ATOM 332 N VAL A 29 5.808 7.954 9.147 1.00 0.00 N ATOM 333 CA VAL A 29 6.795 7.522 10.179 1.00 0.00 C ATOM 334 C VAL A 29 7.651 6.396 9.608 1.00 0.00 C ATOM 335 O VAL A 29 7.569 6.075 8.439 1.00 0.00 O ATOM 336 CB VAL A 29 6.074 7.011 11.431 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.740 7.600 12.676 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.602 7.427 11.401 1.00 0.00 C ATOM 0 H VAL A 29 5.359 7.197 8.631 1.00 0.00 H new ATOM 0 HA VAL A 29 7.417 8.375 10.451 1.00 0.00 H new ATOM 0 HB VAL A 29 6.136 5.923 11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.229 7.238 13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.786 7.295 12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.681 8.688 12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.101 7.058 12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.532 8.514 11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.123 7.006 10.517 1.00 0.00 H new ATOM 348 N SER A 30 8.468 5.786 10.419 1.00 0.00 N ATOM 349 CA SER A 30 9.314 4.675 9.911 1.00 0.00 C ATOM 350 C SER A 30 9.650 3.724 11.060 1.00 0.00 C ATOM 351 O SER A 30 10.246 4.111 12.046 1.00 0.00 O ATOM 352 CB SER A 30 10.607 5.240 9.322 1.00 0.00 C ATOM 353 OG SER A 30 11.285 4.212 8.613 1.00 0.00 O ATOM 0 H SER A 30 8.586 6.008 11.408 1.00 0.00 H new ATOM 0 HA SER A 30 8.771 4.133 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.384 6.072 8.655 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.243 5.631 10.117 1.00 0.00 H new ATOM 0 HG SER A 30 12.114 4.569 8.232 1.00 0.00 H new ATOM 359 N GLY A 31 9.280 2.477 10.937 1.00 0.00 N ATOM 360 CA GLY A 31 9.586 1.498 12.019 1.00 0.00 C ATOM 361 C GLY A 31 8.487 1.528 13.084 1.00 0.00 C ATOM 362 O GLY A 31 8.694 1.109 14.207 1.00 0.00 O ATOM 0 H GLY A 31 8.780 2.095 10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.669 0.495 11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.549 1.735 12.472 1.00 0.00 H new ATOM 366 N ILE A 32 7.320 2.013 12.747 1.00 0.00 N ATOM 367 CA ILE A 32 6.212 2.060 13.744 1.00 0.00 C ATOM 368 C ILE A 32 6.193 0.752 14.542 1.00 0.00 C ATOM 369 O ILE A 32 6.587 -0.287 14.052 1.00 0.00 O ATOM 370 CB ILE A 32 4.885 2.245 13.002 1.00 0.00 C ATOM 371 CG1 ILE A 32 4.919 3.569 12.240 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.727 2.272 13.999 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.678 3.311 10.752 1.00 0.00 C ATOM 0 H ILE A 32 7.087 2.378 11.824 1.00 0.00 H new ATOM 0 HA ILE A 32 6.360 2.892 14.432 1.00 0.00 H new ATOM 0 HB ILE A 32 4.743 1.416 12.309 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.158 4.244 12.630 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.883 4.058 12.383 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.788 2.404 13.462 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.700 1.333 14.551 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.866 3.099 14.696 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.703 4.256 10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.456 2.651 10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.704 2.841 10.617 1.00 0.00 H new ATOM 385 N GLY A 33 5.756 0.792 15.774 1.00 0.00 N ATOM 386 CA GLY A 33 5.735 -0.451 16.597 1.00 0.00 C ATOM 387 C GLY A 33 4.602 -1.369 16.133 1.00 0.00 C ATOM 388 O GLY A 33 3.980 -1.142 15.114 1.00 0.00 O ATOM 0 H GLY A 33 5.414 1.630 16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.691 -0.969 16.513 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.601 -0.198 17.649 1.00 0.00 H new ATOM 392 N ILE A 34 4.333 -2.408 16.878 1.00 0.00 N ATOM 393 CA ILE A 34 3.243 -3.345 16.482 1.00 0.00 C ATOM 394 C ILE A 34 2.032 -3.143 17.393 1.00 0.00 C ATOM 395 O ILE A 34 1.108 -3.931 17.393 1.00 0.00 O ATOM 396 CB ILE A 34 3.733 -4.795 16.589 1.00 0.00 C ATOM 397 CG1 ILE A 34 4.854 -4.899 17.630 1.00 0.00 C ATOM 398 CG2 ILE A 34 4.266 -5.247 15.230 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.310 -4.538 19.014 1.00 0.00 C ATOM 0 H ILE A 34 4.820 -2.648 17.742 1.00 0.00 H new ATOM 0 HA ILE A 34 2.957 -3.141 15.450 1.00 0.00 H new ATOM 0 HB ILE A 34 2.902 -5.430 16.895 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.260 -5.910 17.641 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.673 -4.230 17.365 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.616 -6.277 15.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.470 -5.184 14.488 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.093 -4.603 14.931 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.110 -4.613 19.750 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.925 -3.518 18.999 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.507 -5.225 19.280 1.00 0.00 H new ATOM 411 N LEU A 35 2.017 -2.088 18.159 1.00 0.00 N ATOM 412 CA LEU A 35 0.850 -1.841 19.047 1.00 0.00 C ATOM 413 C LEU A 35 0.946 -0.425 19.633 1.00 0.00 C ATOM 414 O LEU A 35 1.046 -0.235 20.829 1.00 0.00 O ATOM 415 CB LEU A 35 0.814 -2.894 20.167 1.00 0.00 C ATOM 416 CG LEU A 35 -0.357 -2.629 21.118 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.635 -3.254 20.552 1.00 0.00 C ATOM 418 CD2 LEU A 35 -0.057 -3.261 22.477 1.00 0.00 C ATOM 0 H LEU A 35 2.759 -1.390 18.208 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.073 -1.921 18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.720 -3.890 19.734 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.752 -2.875 20.722 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.493 -1.553 21.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.465 -3.063 21.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.855 -2.815 19.579 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.496 -4.330 20.442 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.889 -3.074 23.157 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.079 -4.336 22.356 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.853 -2.824 22.888 1.00 0.00 H new ATOM 430 N ASP A 36 0.914 0.576 18.785 1.00 0.00 N ATOM 431 CA ASP A 36 0.997 1.988 19.269 1.00 0.00 C ATOM 432 C ASP A 36 -0.413 2.526 19.558 1.00 0.00 C ATOM 433 O ASP A 36 -1.353 1.770 19.711 1.00 0.00 O ATOM 434 CB ASP A 36 1.655 2.847 18.186 1.00 0.00 C ATOM 435 CG ASP A 36 3.060 3.255 18.637 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.869 2.370 18.861 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.301 4.445 18.748 1.00 0.00 O ATOM 0 H ASP A 36 0.833 0.473 17.773 1.00 0.00 H new ATOM 0 HA ASP A 36 1.587 2.024 20.185 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.710 2.291 17.250 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.051 3.734 17.995 1.00 0.00 H new ATOM 442 N ASN A 37 -0.566 3.827 19.639 1.00 0.00 N ATOM 443 CA ASN A 37 -1.916 4.410 19.922 1.00 0.00 C ATOM 444 C ASN A 37 -2.243 5.503 18.900 1.00 0.00 C ATOM 445 O ASN A 37 -2.979 6.428 19.176 1.00 0.00 O ATOM 446 CB ASN A 37 -1.934 5.004 21.333 1.00 0.00 C ATOM 447 CG ASN A 37 -3.350 4.919 21.907 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.526 4.689 23.087 1.00 0.00 O ATOM 449 ND2 ASN A 37 -4.374 5.095 21.118 1.00 0.00 N ATOM 0 H ASN A 37 0.184 4.508 19.522 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.665 3.621 19.850 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.237 4.464 21.975 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.603 6.042 21.306 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.321 5.039 21.492 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.227 5.288 20.127 1.00 0.00 H new ATOM 456 N PHE A 38 -1.719 5.369 17.716 1.00 0.00 N ATOM 457 CA PHE A 38 -1.985 6.351 16.614 1.00 0.00 C ATOM 458 C PHE A 38 -1.575 7.771 17.027 1.00 0.00 C ATOM 459 O PHE A 38 -0.679 8.352 16.446 1.00 0.00 O ATOM 460 CB PHE A 38 -3.486 6.342 16.255 1.00 0.00 C ATOM 461 CG PHE A 38 -3.871 5.053 15.541 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.311 3.833 15.935 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.795 5.075 14.478 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.661 2.658 15.284 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.139 3.881 13.829 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.566 2.674 14.238 1.00 0.00 C ATOM 0 H PHE A 38 -1.100 4.602 17.453 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.393 6.054 15.749 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.081 6.451 17.162 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.716 7.197 15.619 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.603 3.805 16.750 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.237 6.009 14.164 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.222 1.722 15.597 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.847 3.894 13.013 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.830 1.754 13.738 1.00 0.00 H new ATOM 476 N PHE A 39 -2.219 8.348 18.004 1.00 0.00 N ATOM 477 CA PHE A 39 -1.849 9.733 18.406 1.00 0.00 C ATOM 478 C PHE A 39 -0.709 9.702 19.419 1.00 0.00 C ATOM 479 O PHE A 39 -0.581 10.579 20.250 1.00 0.00 O ATOM 480 CB PHE A 39 -3.052 10.452 19.018 1.00 0.00 C ATOM 481 CG PHE A 39 -2.797 11.938 18.956 1.00 0.00 C ATOM 482 CD1 PHE A 39 -2.629 12.564 17.715 1.00 0.00 C ATOM 483 CD2 PHE A 39 -2.710 12.688 20.135 1.00 0.00 C ATOM 484 CE1 PHE A 39 -2.375 13.938 17.652 1.00 0.00 C ATOM 485 CE2 PHE A 39 -2.453 14.063 20.071 1.00 0.00 C ATOM 486 CZ PHE A 39 -2.286 14.686 18.828 1.00 0.00 C ATOM 0 H PHE A 39 -2.979 7.924 18.537 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.526 10.272 17.515 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.962 10.200 18.474 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.199 10.135 20.050 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.696 11.985 16.805 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.841 12.207 21.093 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.248 14.420 16.694 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.384 14.643 20.980 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.088 15.747 18.779 1.00 0.00 H new ATOM 496 N GLN A 40 0.135 8.715 19.348 1.00 0.00 N ATOM 497 CA GLN A 40 1.277 8.656 20.296 1.00 0.00 C ATOM 498 C GLN A 40 2.378 9.589 19.770 1.00 0.00 C ATOM 499 O GLN A 40 3.391 9.794 20.406 1.00 0.00 O ATOM 500 CB GLN A 40 1.815 7.208 20.365 1.00 0.00 C ATOM 501 CG GLN A 40 0.920 6.366 21.281 1.00 0.00 C ATOM 502 CD GLN A 40 1.771 5.323 22.005 1.00 0.00 C ATOM 503 OE1 GLN A 40 2.758 4.853 21.473 1.00 0.00 O ATOM 504 NE2 GLN A 40 1.432 4.937 23.206 1.00 0.00 N ATOM 0 H GLN A 40 0.084 7.949 18.677 1.00 0.00 H new ATOM 0 HA GLN A 40 0.962 8.964 21.293 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.842 6.772 19.366 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.838 7.208 20.740 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.417 7.007 22.005 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.143 5.874 20.696 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.604 5.331 23.654 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.995 4.242 23.696 1.00 0.00 H new ATOM 513 N ILE A 41 2.167 10.157 18.606 1.00 0.00 N ATOM 514 CA ILE A 41 3.168 11.083 18.002 1.00 0.00 C ATOM 515 C ILE A 41 2.807 11.283 16.527 1.00 0.00 C ATOM 516 O ILE A 41 3.524 10.863 15.640 1.00 0.00 O ATOM 517 CB ILE A 41 4.573 10.478 18.107 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.559 11.327 17.299 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.560 9.052 17.555 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.655 11.855 18.230 1.00 0.00 C ATOM 0 H ILE A 41 1.329 10.013 18.043 1.00 0.00 H new ATOM 0 HA ILE A 41 3.158 12.037 18.530 1.00 0.00 H new ATOM 0 HB ILE A 41 4.880 10.460 19.153 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.000 10.731 16.500 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.037 12.158 16.825 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.559 8.624 17.630 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.861 8.445 18.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.251 9.069 16.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.358 12.460 17.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.205 12.466 19.013 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.183 11.016 18.683 1.00 0.00 H new ATOM 532 N GLY A 42 1.690 11.910 16.253 1.00 0.00 N ATOM 533 CA GLY A 42 1.284 12.118 14.833 1.00 0.00 C ATOM 534 C GLY A 42 0.621 13.487 14.678 1.00 0.00 C ATOM 535 O GLY A 42 1.144 14.493 15.116 1.00 0.00 O ATOM 0 H GLY A 42 1.046 12.285 16.949 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.156 12.051 14.182 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.594 11.333 14.524 1.00 0.00 H new ATOM 539 N GLY A 43 -0.524 13.535 14.056 1.00 0.00 N ATOM 540 CA GLY A 43 -1.212 14.843 13.874 1.00 0.00 C ATOM 541 C GLY A 43 -2.672 14.610 13.480 1.00 0.00 C ATOM 542 O GLY A 43 -3.438 14.020 14.217 1.00 0.00 O ATOM 0 H GLY A 43 -1.012 12.728 13.667 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.163 15.422 14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.707 15.426 13.104 1.00 0.00 H new ATOM 546 N HIS A 44 -3.064 15.074 12.324 1.00 0.00 N ATOM 547 CA HIS A 44 -4.475 14.888 11.881 1.00 0.00 C ATOM 548 C HIS A 44 -4.876 13.421 12.046 1.00 0.00 C ATOM 549 O HIS A 44 -4.044 12.536 12.079 1.00 0.00 O ATOM 550 CB HIS A 44 -4.606 15.291 10.411 1.00 0.00 C ATOM 551 CG HIS A 44 -6.014 15.740 10.139 1.00 0.00 C ATOM 552 ND1 HIS A 44 -6.542 15.784 8.859 1.00 0.00 N ATOM 553 CD2 HIS A 44 -7.015 16.172 10.973 1.00 0.00 C ATOM 554 CE1 HIS A 44 -7.808 16.231 8.957 1.00 0.00 C ATOM 555 NE2 HIS A 44 -8.147 16.481 10.224 1.00 0.00 N ATOM 0 H HIS A 44 -2.466 15.575 11.666 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.130 15.512 12.489 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.906 16.093 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.351 14.449 9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.936 16.259 12.047 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.469 16.370 8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.043 16.825 10.569 1.00 0.00 H new ATOM 563 N SER A 45 -6.150 13.157 12.147 1.00 0.00 N ATOM 564 CA SER A 45 -6.613 11.751 12.309 1.00 0.00 C ATOM 565 C SER A 45 -6.951 11.168 10.936 1.00 0.00 C ATOM 566 O SER A 45 -6.930 9.967 10.735 1.00 0.00 O ATOM 567 CB SER A 45 -7.858 11.726 13.198 1.00 0.00 C ATOM 568 OG SER A 45 -8.811 12.656 12.700 1.00 0.00 O ATOM 0 H SER A 45 -6.892 13.857 12.124 1.00 0.00 H new ATOM 0 HA SER A 45 -5.826 11.156 12.772 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.286 10.724 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.591 11.977 14.225 1.00 0.00 H new ATOM 0 HG SER A 45 -9.610 12.641 13.267 1.00 0.00 H new ATOM 574 N LEU A 46 -7.262 12.007 9.985 1.00 0.00 N ATOM 575 CA LEU A 46 -7.596 11.494 8.629 1.00 0.00 C ATOM 576 C LEU A 46 -6.535 10.475 8.207 1.00 0.00 C ATOM 577 O LEU A 46 -6.843 9.444 7.644 1.00 0.00 O ATOM 578 CB LEU A 46 -7.632 12.654 7.630 1.00 0.00 C ATOM 579 CG LEU A 46 -8.646 12.342 6.527 1.00 0.00 C ATOM 580 CD1 LEU A 46 -10.014 12.065 7.153 1.00 0.00 C ATOM 581 CD2 LEU A 46 -8.757 13.540 5.580 1.00 0.00 C ATOM 0 H LEU A 46 -7.299 13.021 10.089 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.575 11.016 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.904 13.579 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.643 12.807 7.198 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.315 11.465 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.736 11.843 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.939 11.213 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.343 12.942 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.479 13.317 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.087 14.416 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.784 13.741 5.132 1.00 0.00 H new ATOM 593 N LYS A 47 -5.287 10.746 8.484 1.00 0.00 N ATOM 594 CA LYS A 47 -4.220 9.778 8.110 1.00 0.00 C ATOM 595 C LYS A 47 -4.620 8.393 8.617 1.00 0.00 C ATOM 596 O LYS A 47 -4.807 7.465 7.850 1.00 0.00 O ATOM 597 CB LYS A 47 -2.897 10.191 8.754 1.00 0.00 C ATOM 598 CG LYS A 47 -2.277 11.346 7.964 1.00 0.00 C ATOM 599 CD LYS A 47 -1.673 12.361 8.935 1.00 0.00 C ATOM 600 CE LYS A 47 -0.231 12.669 8.526 1.00 0.00 C ATOM 601 NZ LYS A 47 0.370 13.616 9.507 1.00 0.00 N ATOM 0 H LYS A 47 -4.963 11.593 8.951 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.098 9.763 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.063 10.493 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.212 9.344 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.508 10.968 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.035 11.826 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.265 13.276 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.697 11.966 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.352 11.749 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.210 13.102 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.350 13.827 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.182 14.497 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.362 13.186 10.454 1.00 0.00 H new ATOM 615 N ALA A 48 -4.774 8.245 9.905 1.00 0.00 N ATOM 616 CA ALA A 48 -5.183 6.923 10.441 1.00 0.00 C ATOM 617 C ALA A 48 -6.373 6.433 9.626 1.00 0.00 C ATOM 618 O ALA A 48 -6.408 5.301 9.185 1.00 0.00 O ATOM 619 CB ALA A 48 -5.584 7.047 11.910 1.00 0.00 C ATOM 0 H ALA A 48 -4.635 8.977 10.601 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.353 6.220 10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.882 6.070 12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.738 7.419 12.488 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.419 7.742 12.002 1.00 0.00 H new ATOM 625 N MET A 49 -7.343 7.282 9.392 1.00 0.00 N ATOM 626 CA MET A 49 -8.501 6.838 8.574 1.00 0.00 C ATOM 627 C MET A 49 -7.941 6.190 7.314 1.00 0.00 C ATOM 628 O MET A 49 -8.265 5.067 6.985 1.00 0.00 O ATOM 629 CB MET A 49 -9.390 8.030 8.185 1.00 0.00 C ATOM 630 CG MET A 49 -10.810 7.574 7.756 1.00 0.00 C ATOM 631 SD MET A 49 -10.879 5.787 7.410 1.00 0.00 S ATOM 632 CE MET A 49 -11.572 5.888 5.742 1.00 0.00 C ATOM 0 H MET A 49 -7.380 8.245 9.727 1.00 0.00 H new ATOM 0 HA MET A 49 -9.113 6.139 9.144 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.468 8.716 9.029 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.923 8.581 7.368 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.522 7.818 8.544 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.115 8.127 6.868 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.714 4.883 5.345 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.532 6.403 5.777 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.888 6.440 5.097 1.00 0.00 H new ATOM 642 N ALA A 50 -7.074 6.882 6.622 1.00 0.00 N ATOM 643 CA ALA A 50 -6.467 6.287 5.404 1.00 0.00 C ATOM 644 C ALA A 50 -6.020 4.874 5.761 1.00 0.00 C ATOM 645 O ALA A 50 -6.230 3.936 5.020 1.00 0.00 O ATOM 646 CB ALA A 50 -5.257 7.116 4.962 1.00 0.00 C ATOM 0 H ALA A 50 -6.764 7.827 6.849 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.187 6.271 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.819 6.672 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.575 8.135 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.515 7.132 5.761 1.00 0.00 H new ATOM 652 N VAL A 51 -5.425 4.714 6.917 1.00 0.00 N ATOM 653 CA VAL A 51 -4.995 3.356 7.339 1.00 0.00 C ATOM 654 C VAL A 51 -6.228 2.450 7.376 1.00 0.00 C ATOM 655 O VAL A 51 -6.321 1.477 6.645 1.00 0.00 O ATOM 656 CB VAL A 51 -4.358 3.418 8.729 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.631 2.104 9.012 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.355 4.573 8.782 1.00 0.00 C ATOM 0 H VAL A 51 -5.222 5.463 7.579 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.260 2.963 6.637 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.135 3.576 9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.176 2.146 10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.342 1.279 8.974 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.855 1.949 8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.902 4.616 9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.578 4.415 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.870 5.512 8.577 1.00 0.00 H new ATOM 668 N ALA A 52 -7.191 2.776 8.202 1.00 0.00 N ATOM 669 CA ALA A 52 -8.427 1.947 8.254 1.00 0.00 C ATOM 670 C ALA A 52 -8.858 1.682 6.816 1.00 0.00 C ATOM 671 O ALA A 52 -9.096 0.558 6.421 1.00 0.00 O ATOM 672 CB ALA A 52 -9.529 2.698 8.999 1.00 0.00 C ATOM 0 H ALA A 52 -7.173 3.574 8.837 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.240 1.010 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.429 2.084 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.199 2.914 10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.746 3.633 8.482 1.00 0.00 H new ATOM 678 N ALA A 53 -8.914 2.714 6.012 1.00 0.00 N ATOM 679 CA ALA A 53 -9.278 2.510 4.588 1.00 0.00 C ATOM 680 C ALA A 53 -8.358 1.423 4.052 1.00 0.00 C ATOM 681 O ALA A 53 -8.791 0.471 3.436 1.00 0.00 O ATOM 682 CB ALA A 53 -9.060 3.806 3.803 1.00 0.00 C ATOM 0 H ALA A 53 -8.724 3.679 6.282 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.325 2.225 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.329 3.648 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.683 4.595 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.012 4.098 3.867 1.00 0.00 H new ATOM 688 N GLN A 54 -7.085 1.543 4.320 1.00 0.00 N ATOM 689 CA GLN A 54 -6.132 0.501 3.869 1.00 0.00 C ATOM 690 C GLN A 54 -6.728 -0.859 4.214 1.00 0.00 C ATOM 691 O GLN A 54 -6.610 -1.809 3.473 1.00 0.00 O ATOM 692 CB GLN A 54 -4.800 0.686 4.600 1.00 0.00 C ATOM 693 CG GLN A 54 -3.692 -0.028 3.832 1.00 0.00 C ATOM 694 CD GLN A 54 -3.160 0.890 2.729 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.069 0.692 2.231 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.889 1.894 2.321 1.00 0.00 N ATOM 0 H GLN A 54 -6.668 2.320 4.833 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.958 0.574 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.568 1.747 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.870 0.287 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.885 -0.304 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.074 -0.952 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.805 2.062 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.543 2.510 1.586 1.00 0.00 H new ATOM 705 N VAL A 55 -7.386 -0.944 5.339 1.00 0.00 N ATOM 706 CA VAL A 55 -8.014 -2.234 5.748 1.00 0.00 C ATOM 707 C VAL A 55 -9.252 -2.500 4.882 1.00 0.00 C ATOM 708 O VAL A 55 -9.576 -3.629 4.574 1.00 0.00 O ATOM 709 CB VAL A 55 -8.428 -2.155 7.218 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.540 -3.568 7.796 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.376 -1.366 8.001 1.00 0.00 C ATOM 0 H VAL A 55 -7.516 -0.173 5.994 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.298 -3.044 5.614 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.393 -1.654 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.835 -3.510 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.289 -4.131 7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.576 -4.071 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.670 -1.309 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.411 -1.867 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.297 -0.359 7.591 1.00 0.00 H new ATOM 721 N HIS A 56 -9.946 -1.473 4.478 1.00 0.00 N ATOM 722 CA HIS A 56 -11.151 -1.685 3.624 1.00 0.00 C ATOM 723 C HIS A 56 -10.686 -1.960 2.194 1.00 0.00 C ATOM 724 O HIS A 56 -11.169 -2.859 1.535 1.00 0.00 O ATOM 725 CB HIS A 56 -12.028 -0.428 3.648 1.00 0.00 C ATOM 726 CG HIS A 56 -13.477 -0.825 3.699 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.115 -1.431 2.629 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.427 -0.709 4.685 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.390 -1.656 2.991 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.635 -1.234 4.235 1.00 0.00 N ATOM 0 H HIS A 56 -9.734 -0.500 4.700 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.732 -2.528 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.778 0.186 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.837 0.178 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.262 -0.276 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.127 -2.122 2.354 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.517 -1.285 4.745 1.00 0.00 H new ATOM 738 N ARG A 57 -9.738 -1.201 1.718 1.00 0.00 N ATOM 739 CA ARG A 57 -9.228 -1.431 0.340 1.00 0.00 C ATOM 740 C ARG A 57 -8.457 -2.751 0.322 1.00 0.00 C ATOM 741 O ARG A 57 -8.470 -3.478 -0.651 1.00 0.00 O ATOM 742 CB ARG A 57 -8.296 -0.286 -0.059 1.00 0.00 C ATOM 743 CG ARG A 57 -8.686 0.225 -1.447 1.00 0.00 C ATOM 744 CD ARG A 57 -9.644 1.410 -1.307 1.00 0.00 C ATOM 745 NE ARG A 57 -8.891 2.682 -1.490 1.00 0.00 N ATOM 746 CZ ARG A 57 -9.440 3.678 -2.129 1.00 0.00 C ATOM 747 NH1 ARG A 57 -9.621 3.603 -3.419 1.00 0.00 N ATOM 748 NH2 ARG A 57 -9.807 4.748 -1.480 1.00 0.00 N ATOM 0 H ARG A 57 -9.296 -0.433 2.224 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.059 -1.474 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.361 0.522 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.261 -0.629 -0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.795 0.527 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.159 -0.573 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.441 1.337 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.118 1.394 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.947 2.774 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.333 2.766 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.050 4.381 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.665 4.807 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.236 5.526 -1.981 1.00 0.00 H new ATOM 762 N GLU A 58 -7.794 -3.072 1.401 1.00 0.00 N ATOM 763 CA GLU A 58 -7.035 -4.352 1.455 1.00 0.00 C ATOM 764 C GLU A 58 -8.021 -5.490 1.708 1.00 0.00 C ATOM 765 O GLU A 58 -8.015 -6.494 1.024 1.00 0.00 O ATOM 766 CB GLU A 58 -6.007 -4.298 2.594 1.00 0.00 C ATOM 767 CG GLU A 58 -4.776 -3.478 2.169 1.00 0.00 C ATOM 768 CD GLU A 58 -5.187 -2.342 1.223 1.00 0.00 C ATOM 769 OE1 GLU A 58 -5.426 -2.625 0.061 1.00 0.00 O ATOM 770 OE2 GLU A 58 -5.254 -1.211 1.678 1.00 0.00 O ATOM 0 H GLU A 58 -7.746 -2.503 2.246 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.510 -4.513 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.460 -3.853 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.702 -5.309 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.285 -3.065 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.053 -4.127 1.675 1.00 0.00 H new ATOM 777 N TYR A 59 -8.885 -5.334 2.675 1.00 0.00 N ATOM 778 CA TYR A 59 -9.879 -6.401 2.952 1.00 0.00 C ATOM 779 C TYR A 59 -11.278 -5.791 3.004 1.00 0.00 C ATOM 780 O TYR A 59 -11.454 -4.591 3.067 1.00 0.00 O ATOM 781 CB TYR A 59 -9.607 -7.066 4.308 1.00 0.00 C ATOM 782 CG TYR A 59 -8.135 -7.061 4.644 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.463 -5.853 4.862 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.450 -8.273 4.766 1.00 0.00 C ATOM 785 CE1 TYR A 59 -6.106 -5.857 5.197 1.00 0.00 C ATOM 786 CE2 TYR A 59 -6.092 -8.280 5.099 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.418 -7.071 5.316 1.00 0.00 C ATOM 788 OH TYR A 59 -4.078 -7.074 5.646 1.00 0.00 O ATOM 0 H TYR A 59 -8.943 -4.516 3.281 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.804 -7.144 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.161 -6.543 5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.973 -8.092 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.993 -4.917 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.970 -9.205 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.588 -4.924 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.563 -9.217 5.189 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.754 -7.998 5.689 1.00 0.00 H new ATOM 798 N GLN A 60 -12.267 -6.630 3.040 1.00 0.00 N ATOM 799 CA GLN A 60 -13.669 -6.161 3.158 1.00 0.00 C ATOM 800 C GLN A 60 -14.087 -6.508 4.577 1.00 0.00 C ATOM 801 O GLN A 60 -15.077 -7.169 4.818 1.00 0.00 O ATOM 802 CB GLN A 60 -14.565 -6.891 2.148 1.00 0.00 C ATOM 803 CG GLN A 60 -14.593 -8.388 2.469 1.00 0.00 C ATOM 804 CD GLN A 60 -14.119 -9.180 1.250 1.00 0.00 C ATOM 805 OE1 GLN A 60 -14.727 -10.165 0.878 1.00 0.00 O ATOM 806 NE2 GLN A 60 -13.053 -8.792 0.608 1.00 0.00 N ATOM 0 H GLN A 60 -12.161 -7.643 2.992 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.759 -5.094 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.575 -6.483 2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.192 -6.733 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.952 -8.599 3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.603 -8.693 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.542 -7.966 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.729 -9.315 -0.206 1.00 0.00 H new ATOM 815 N VAL A 61 -13.281 -6.099 5.516 1.00 0.00 N ATOM 816 CA VAL A 61 -13.546 -6.429 6.942 1.00 0.00 C ATOM 817 C VAL A 61 -14.383 -5.335 7.606 1.00 0.00 C ATOM 818 O VAL A 61 -14.477 -4.221 7.129 1.00 0.00 O ATOM 819 CB VAL A 61 -12.206 -6.548 7.662 1.00 0.00 C ATOM 820 CG1 VAL A 61 -12.431 -6.791 9.154 1.00 0.00 C ATOM 821 CG2 VAL A 61 -11.404 -7.711 7.072 1.00 0.00 C ATOM 0 H VAL A 61 -12.441 -5.544 5.353 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.101 -7.366 6.999 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.652 -5.619 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.468 -6.874 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.992 -5.958 9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.994 -7.714 9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.448 -7.793 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.963 -8.638 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.229 -7.531 6.011 1.00 0.00 H new ATOM 831 N GLU A 62 -14.998 -5.665 8.709 1.00 0.00 N ATOM 832 CA GLU A 62 -15.854 -4.687 9.445 1.00 0.00 C ATOM 833 C GLU A 62 -14.979 -3.677 10.191 1.00 0.00 C ATOM 834 O GLU A 62 -15.165 -3.437 11.366 1.00 0.00 O ATOM 835 CB GLU A 62 -16.673 -5.449 10.475 1.00 0.00 C ATOM 836 CG GLU A 62 -15.700 -6.128 11.436 1.00 0.00 C ATOM 837 CD GLU A 62 -16.473 -7.001 12.428 1.00 0.00 C ATOM 838 OE1 GLU A 62 -16.880 -8.083 12.040 1.00 0.00 O ATOM 839 OE2 GLU A 62 -16.642 -6.572 13.557 1.00 0.00 O ATOM 0 H GLU A 62 -14.943 -6.588 9.140 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.494 -4.163 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.333 -4.771 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.307 -6.189 9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.990 -6.738 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.122 -5.376 11.973 1.00 0.00 H new ATOM 846 N LEU A 63 -14.023 -3.102 9.534 1.00 0.00 N ATOM 847 CA LEU A 63 -13.134 -2.123 10.222 1.00 0.00 C ATOM 848 C LEU A 63 -13.375 -0.699 9.699 1.00 0.00 C ATOM 849 O LEU A 63 -12.681 -0.247 8.809 1.00 0.00 O ATOM 850 CB LEU A 63 -11.675 -2.496 9.968 1.00 0.00 C ATOM 851 CG LEU A 63 -10.833 -2.069 11.166 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.057 -3.273 11.691 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.854 -0.977 10.731 1.00 0.00 C ATOM 0 H LEU A 63 -13.813 -3.263 8.549 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.357 -2.152 11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.584 -3.570 9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.315 -2.008 9.062 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.480 -1.683 11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.454 -2.972 12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.756 -4.052 11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.406 -3.657 10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.250 -0.669 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.203 -1.363 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.410 -0.120 10.352 1.00 0.00 H new ATOM 865 N PRO A 64 -14.331 -0.024 10.288 1.00 0.00 N ATOM 866 CA PRO A 64 -14.664 1.363 9.928 1.00 0.00 C ATOM 867 C PRO A 64 -13.699 2.289 10.672 1.00 0.00 C ATOM 868 O PRO A 64 -12.597 1.896 10.996 1.00 0.00 O ATOM 869 CB PRO A 64 -16.098 1.529 10.440 1.00 0.00 C ATOM 870 CG PRO A 64 -16.288 0.468 11.551 1.00 0.00 C ATOM 871 CD PRO A 64 -15.174 -0.581 11.359 1.00 0.00 C ATOM 0 HA PRO A 64 -14.585 1.592 8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.257 2.534 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.818 1.382 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.222 0.926 12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.272 0.005 11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.605 -0.729 12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.585 -1.551 11.078 1.00 0.00 H new ATOM 879 N LEU A 65 -14.082 3.500 10.967 1.00 0.00 N ATOM 880 CA LEU A 65 -13.141 4.381 11.706 1.00 0.00 C ATOM 881 C LEU A 65 -13.368 4.227 13.211 1.00 0.00 C ATOM 882 O LEU A 65 -12.426 4.163 13.977 1.00 0.00 O ATOM 883 CB LEU A 65 -13.323 5.843 11.299 1.00 0.00 C ATOM 884 CG LEU A 65 -11.952 6.521 11.329 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.018 5.800 10.377 1.00 0.00 C ATOM 886 CD2 LEU A 65 -12.059 7.972 10.877 1.00 0.00 C ATOM 0 H LEU A 65 -14.986 3.910 10.734 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.122 4.084 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.758 5.909 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.010 6.345 11.980 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.573 6.485 12.350 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.039 6.279 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.918 4.759 10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.425 5.842 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.073 8.436 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.448 8.008 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.733 8.512 11.542 1.00 0.00 H new ATOM 898 N LYS A 66 -14.598 4.156 13.651 1.00 0.00 N ATOM 899 CA LYS A 66 -14.834 3.993 15.113 1.00 0.00 C ATOM 900 C LYS A 66 -13.976 2.834 15.614 1.00 0.00 C ATOM 901 O LYS A 66 -13.390 2.893 16.676 1.00 0.00 O ATOM 902 CB LYS A 66 -16.314 3.701 15.388 1.00 0.00 C ATOM 903 CG LYS A 66 -16.684 2.317 14.847 1.00 0.00 C ATOM 904 CD LYS A 66 -18.105 1.958 15.288 1.00 0.00 C ATOM 905 CE LYS A 66 -19.084 2.237 14.145 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.632 3.615 14.287 1.00 0.00 N ATOM 0 H LYS A 66 -15.436 4.203 13.071 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.566 4.913 15.632 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.509 3.746 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.937 4.462 14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.617 2.311 13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.979 1.571 15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.153 0.907 15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.382 2.540 16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.579 2.132 13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.894 1.508 14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.449 3.730 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.931 3.770 15.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.899 4.308 14.035 1.00 0.00 H new ATOM 920 N VAL A 67 -13.877 1.787 14.840 1.00 0.00 N ATOM 921 CA VAL A 67 -13.035 0.636 15.255 1.00 0.00 C ATOM 922 C VAL A 67 -11.596 1.134 15.345 1.00 0.00 C ATOM 923 O VAL A 67 -10.836 0.731 16.202 1.00 0.00 O ATOM 924 CB VAL A 67 -13.166 -0.481 14.214 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.959 -1.417 14.274 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.439 -1.283 14.500 1.00 0.00 C ATOM 0 H VAL A 67 -14.344 1.682 13.939 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.347 0.236 16.220 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.214 -0.034 13.221 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.071 -2.203 13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.049 -0.851 14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.895 -1.865 15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.540 -2.080 13.764 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.379 -1.717 15.498 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.305 -0.624 14.442 1.00 0.00 H new ATOM 936 N LEU A 68 -11.234 2.047 14.484 1.00 0.00 N ATOM 937 CA LEU A 68 -9.863 2.614 14.543 1.00 0.00 C ATOM 938 C LEU A 68 -9.743 3.383 15.858 1.00 0.00 C ATOM 939 O LEU A 68 -8.676 3.516 16.425 1.00 0.00 O ATOM 940 CB LEU A 68 -9.643 3.569 13.363 1.00 0.00 C ATOM 941 CG LEU A 68 -8.142 3.714 13.097 1.00 0.00 C ATOM 942 CD1 LEU A 68 -7.750 2.873 11.885 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.801 5.179 12.814 1.00 0.00 C ATOM 0 H LEU A 68 -11.829 2.422 13.745 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.116 1.822 14.488 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.146 3.188 12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.080 4.543 13.583 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.595 3.374 13.976 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.681 2.979 11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.983 1.826 12.078 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.306 3.213 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.732 5.274 12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.355 5.519 11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.073 5.789 13.675 1.00 0.00 H new ATOM 955 N PHE A 69 -10.850 3.878 16.353 1.00 0.00 N ATOM 956 CA PHE A 69 -10.834 4.629 17.637 1.00 0.00 C ATOM 957 C PHE A 69 -10.979 3.640 18.795 1.00 0.00 C ATOM 958 O PHE A 69 -10.388 3.804 19.845 1.00 0.00 O ATOM 959 CB PHE A 69 -11.993 5.629 17.657 1.00 0.00 C ATOM 960 CG PHE A 69 -11.573 6.890 16.942 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.924 7.909 17.648 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.828 7.041 15.573 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.528 9.078 16.986 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.434 8.209 14.912 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.783 9.229 15.619 1.00 0.00 C ATOM 0 H PHE A 69 -11.768 3.791 15.917 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.894 5.172 17.738 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.870 5.198 17.174 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.275 5.856 18.685 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.728 7.794 18.704 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.329 6.255 15.027 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.026 9.863 17.531 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.632 8.325 13.857 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.478 10.131 15.109 1.00 0.00 H new ATOM 975 N ALA A 70 -11.748 2.600 18.604 1.00 0.00 N ATOM 976 CA ALA A 70 -11.915 1.584 19.682 1.00 0.00 C ATOM 977 C ALA A 70 -10.582 0.885 19.893 1.00 0.00 C ATOM 978 O ALA A 70 -10.218 0.506 20.989 1.00 0.00 O ATOM 979 CB ALA A 70 -12.944 0.537 19.245 1.00 0.00 C ATOM 0 H ALA A 70 -12.268 2.411 17.747 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.249 2.071 20.598 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.065 -0.205 20.034 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.900 1.024 19.055 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.600 0.046 18.335 1.00 0.00 H new ATOM 985 N GLN A 71 -9.864 0.700 18.829 1.00 0.00 N ATOM 986 CA GLN A 71 -8.555 0.009 18.907 1.00 0.00 C ATOM 987 C GLN A 71 -7.610 0.695 17.926 1.00 0.00 C ATOM 988 O GLN A 71 -7.281 0.148 16.893 1.00 0.00 O ATOM 989 CB GLN A 71 -8.724 -1.477 18.526 1.00 0.00 C ATOM 990 CG GLN A 71 -10.193 -1.748 18.145 1.00 0.00 C ATOM 991 CD GLN A 71 -10.533 -3.228 18.297 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.658 -4.066 18.392 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.790 -3.580 18.326 1.00 0.00 N ATOM 0 H GLN A 71 -10.133 1.003 17.893 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.154 0.059 19.919 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.069 -1.726 17.691 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.431 -2.113 19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.852 -1.153 18.777 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.369 -1.434 17.116 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.520 -2.872 18.246 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.042 -4.563 18.429 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.208 1.886 18.284 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.306 2.694 17.459 1.00 0.00 C ATOM 1004 C PRO A 72 -4.906 2.157 17.637 1.00 0.00 C ATOM 1005 O PRO A 72 -4.040 2.815 18.179 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.420 4.099 18.052 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.936 3.914 19.500 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.599 2.524 19.555 1.00 0.00 C ATOM 0 HA PRO A 72 -6.542 2.682 16.395 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.454 4.605 18.044 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.106 4.713 17.469 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.116 3.981 20.215 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.651 4.695 19.760 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.249 1.950 20.413 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.682 2.603 19.644 1.00 0.00 H new ATOM 1016 N THR A 73 -4.673 0.950 17.218 1.00 0.00 N ATOM 1017 CA THR A 73 -3.324 0.393 17.413 1.00 0.00 C ATOM 1018 C THR A 73 -2.988 -0.670 16.352 1.00 0.00 C ATOM 1019 O THR A 73 -3.858 -1.240 15.727 1.00 0.00 O ATOM 1020 CB THR A 73 -3.283 -0.186 18.821 1.00 0.00 C ATOM 1021 OG1 THR A 73 -3.543 0.850 19.762 1.00 0.00 O ATOM 1022 CG2 THR A 73 -1.922 -0.771 19.090 1.00 0.00 C ATOM 0 H THR A 73 -5.348 0.339 16.758 1.00 0.00 H new ATOM 0 HA THR A 73 -2.570 1.171 17.298 1.00 0.00 H new ATOM 0 HB THR A 73 -4.037 -0.967 18.913 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.083 1.669 19.482 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.896 -1.184 20.098 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.717 -1.562 18.368 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.166 0.009 18.998 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.715 -0.925 16.144 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.295 -1.933 15.120 1.00 0.00 C ATOM 1032 C ILE A 74 -1.786 -3.326 15.514 1.00 0.00 C ATOM 1033 O ILE A 74 -2.733 -3.844 14.964 1.00 0.00 O ATOM 1034 CB ILE A 74 0.244 -1.952 15.016 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.713 -0.829 14.093 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.720 -3.292 14.435 1.00 0.00 C ATOM 1037 CD1 ILE A 74 0.231 -1.106 12.668 1.00 0.00 C ATOM 0 H ILE A 74 -0.948 -0.475 16.643 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.730 -1.658 14.159 1.00 0.00 H new ATOM 0 HB ILE A 74 0.659 -1.816 16.014 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.324 0.128 14.440 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.800 -0.757 14.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.808 -3.293 14.367 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.396 -4.106 15.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.294 -3.430 13.441 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.565 -0.305 12.009 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.641 -2.055 12.323 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.858 -1.156 12.655 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.117 -3.941 16.445 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.504 -5.317 16.864 1.00 0.00 C ATOM 1051 C LYS A 75 -3.025 -5.422 16.973 1.00 0.00 C ATOM 1052 O LYS A 75 -3.626 -6.337 16.447 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.866 -5.635 18.217 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.432 -6.950 18.758 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.324 -8.003 18.786 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.904 -9.363 18.399 1.00 0.00 C ATOM 1057 NZ LYS A 75 -0.348 -9.778 17.079 1.00 0.00 N ATOM 0 H LYS A 75 -0.314 -3.549 16.937 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.153 -6.031 16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.216 -5.710 18.111 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.062 -4.827 18.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.834 -6.801 19.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.257 -7.290 18.131 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.473 -7.726 18.096 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.119 -8.054 19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.660 -10.105 19.159 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.991 -9.306 18.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.741 -10.703 16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.603 -9.073 16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.688 -9.847 17.145 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.655 -4.502 17.651 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.137 -4.573 17.781 1.00 0.00 C ATOM 1073 C ALA A 76 -5.764 -4.547 16.387 1.00 0.00 C ATOM 1074 O ALA A 76 -6.307 -5.528 15.927 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.649 -3.381 18.595 1.00 0.00 C ATOM 0 H ALA A 76 -3.212 -3.710 18.117 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.411 -5.495 18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.734 -3.441 18.685 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.201 -3.399 19.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.377 -2.453 18.092 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.692 -3.441 15.699 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.293 -3.398 14.337 1.00 0.00 C ATOM 1083 C LEU A 77 -5.844 -4.635 13.561 1.00 0.00 C ATOM 1084 O LEU A 77 -6.646 -5.343 12.985 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.849 -2.133 13.601 1.00 0.00 C ATOM 1086 CG LEU A 77 -7.079 -1.432 13.023 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.594 -0.396 14.024 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -6.705 -0.736 11.714 1.00 0.00 C ATOM 0 H LEU A 77 -5.250 -2.578 16.015 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.380 -3.385 14.419 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.322 -1.466 14.284 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.152 -2.388 12.803 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.858 -2.169 12.830 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.471 0.104 13.612 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.864 -0.893 14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.815 0.341 14.219 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.583 -0.237 11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.924 0.001 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.341 -1.475 11.000 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.569 -4.914 13.555 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.084 -6.118 12.833 1.00 0.00 C ATOM 1102 C ALA A 78 -4.832 -7.336 13.371 1.00 0.00 C ATOM 1103 O ALA A 78 -5.025 -8.314 12.681 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.581 -6.294 13.064 1.00 0.00 C ATOM 0 H ALA A 78 -3.847 -4.361 14.017 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.263 -6.008 11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.232 -7.179 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.051 -5.416 12.695 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.388 -6.413 14.130 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.265 -7.276 14.601 1.00 0.00 N ATOM 1111 CA GLN A 79 -6.012 -8.422 15.185 1.00 0.00 C ATOM 1112 C GLN A 79 -7.458 -8.375 14.676 1.00 0.00 C ATOM 1113 O GLN A 79 -8.088 -9.392 14.467 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.938 -8.340 16.724 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.255 -7.841 17.334 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.220 -8.047 18.849 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.482 -7.379 19.548 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.988 -8.951 19.391 1.00 0.00 N ATOM 0 H GLN A 79 -5.133 -6.481 15.226 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.575 -9.373 14.881 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.700 -9.324 17.129 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.127 -7.671 17.013 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.400 -6.786 17.102 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.097 -8.381 16.901 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.607 -9.512 18.806 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.969 -9.097 20.400 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.977 -7.197 14.451 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.368 -7.086 13.929 1.00 0.00 C ATOM 1129 C TYR A 80 -9.386 -7.631 12.502 1.00 0.00 C ATOM 1130 O TYR A 80 -10.341 -8.239 12.061 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.799 -5.619 13.916 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.246 -5.517 14.333 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -12.175 -6.468 13.887 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.662 -4.474 15.168 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.517 -6.374 14.277 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.003 -4.380 15.558 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.931 -5.330 15.113 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.253 -5.236 15.498 1.00 0.00 O ATOM 0 H TYR A 80 -7.498 -6.310 14.606 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.052 -7.651 14.562 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.172 -5.039 14.593 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.666 -5.198 12.919 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.856 -7.273 13.242 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.948 -3.741 15.512 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.232 -7.107 13.933 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.322 -3.574 16.203 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.800 -5.825 14.937 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.315 -7.421 11.789 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.220 -7.925 10.386 1.00 0.00 C ATOM 1150 C VAL A 81 -7.669 -9.342 10.419 1.00 0.00 C ATOM 1151 O VAL A 81 -8.303 -10.295 10.012 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.231 -7.067 9.569 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -7.867 -6.681 8.234 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.849 -5.802 10.343 1.00 0.00 C ATOM 0 H VAL A 81 -7.492 -6.917 12.120 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.210 -7.884 9.931 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.329 -7.651 9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.167 -6.075 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.112 -7.583 7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.777 -6.109 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.151 -5.210 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.745 -5.214 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.379 -6.081 11.286 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.465 -9.458 10.891 1.00 0.00 N ATOM 1165 CA ALA A 82 -5.787 -10.773 10.966 1.00 0.00 C ATOM 1166 C ALA A 82 -6.595 -11.742 11.833 1.00 0.00 C ATOM 1167 O ALA A 82 -6.584 -12.937 11.615 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.412 -10.549 11.584 1.00 0.00 C ATOM 0 H ALA A 82 -5.909 -8.675 11.236 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.697 -11.207 9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.885 -11.501 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.840 -9.862 10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.526 -10.124 12.581 1.00 0.00 H new ATOM 1174 N THR A 83 -7.289 -11.241 12.814 1.00 0.00 N ATOM 1175 CA THR A 83 -8.088 -12.141 13.691 1.00 0.00 C ATOM 1176 C THR A 83 -9.534 -11.647 13.748 1.00 0.00 C ATOM 1177 O THR A 83 -10.125 -11.480 12.694 1.00 0.00 O ATOM 1178 CB THR A 83 -7.492 -12.140 15.100 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.086 -12.324 15.017 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.110 -13.274 15.916 1.00 0.00 C ATOM 0 H THR A 83 -7.338 -10.249 13.047 1.00 0.00 H new ATOM 0 HA THR A 83 -8.067 -13.154 13.288 1.00 0.00 H new ATOM 0 HB THR A 83 -7.706 -11.188 15.586 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.702 -12.322 15.919 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.685 -13.273 16.920 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.189 -13.131 15.978 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.897 -14.228 15.433 1.00 0.00 H new TER 1188 THR A 83