USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 673 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 72:sc= 0.369 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.69! C(o=-3.7!,f=-7.9!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 20 SER OG : rot -40:sc= 0.713 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0102 (180deg=-0.134) USER MOD Single : A 38 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.3 K(o=1.3,f=-0.49) USER MOD Single : A 45 ASN : amide:sc= -1.93 K(o=-1.9,f=-5.1!) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc=-0.00428 (180deg=-0.239) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.041 (180deg=-0.274) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 15:sc= 0.369! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.971 21.625 -14.464 1.00 0.00 N ATOM 2 CA GLY A 1 9.302 21.422 -13.066 1.00 0.00 C ATOM 3 C GLY A 1 9.198 19.968 -12.651 1.00 0.00 C ATOM 4 O GLY A 1 9.828 19.097 -13.252 1.00 0.00 O ATOM 0 H1 GLY A 1 9.057 22.635 -14.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.623 21.075 -15.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.995 21.311 -14.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.315 21.778 -12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.635 22.022 -12.447 1.00 0.00 H new ATOM 8 N SER A 2 8.403 19.703 -11.619 1.00 0.00 N ATOM 9 CA SER A 2 8.224 18.345 -11.121 1.00 0.00 C ATOM 10 C SER A 2 6.814 17.841 -11.413 1.00 0.00 C ATOM 11 O SER A 2 5.874 18.626 -11.534 1.00 0.00 O ATOM 12 CB SER A 2 8.495 18.291 -9.616 1.00 0.00 C ATOM 13 OG SER A 2 7.614 19.147 -8.908 1.00 0.00 O ATOM 0 H SER A 2 7.873 20.411 -11.112 1.00 0.00 H new ATOM 0 HA SER A 2 8.936 17.699 -11.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.378 17.268 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.527 18.582 -9.418 1.00 0.00 H new ATOM 0 HG SER A 2 7.806 19.093 -7.949 1.00 0.00 H new ATOM 19 N SER A 3 6.675 16.524 -11.527 1.00 0.00 N ATOM 20 CA SER A 3 5.382 15.913 -11.809 1.00 0.00 C ATOM 21 C SER A 3 4.767 15.330 -10.540 1.00 0.00 C ATOM 22 O SER A 3 5.308 14.398 -9.946 1.00 0.00 O ATOM 23 CB SER A 3 5.531 14.817 -12.866 1.00 0.00 C ATOM 24 OG SER A 3 4.288 14.191 -13.131 1.00 0.00 O ATOM 0 H SER A 3 7.443 15.860 -11.428 1.00 0.00 H new ATOM 0 HA SER A 3 4.718 16.689 -12.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.929 15.246 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.251 14.073 -12.524 1.00 0.00 H new ATOM 0 HG SER A 3 4.410 13.496 -13.811 1.00 0.00 H new ATOM 30 N GLY A 4 3.632 15.888 -10.130 1.00 0.00 N ATOM 31 CA GLY A 4 2.962 15.412 -8.934 1.00 0.00 C ATOM 32 C GLY A 4 2.292 16.530 -8.161 1.00 0.00 C ATOM 33 O GLY A 4 2.927 17.197 -7.344 1.00 0.00 O ATOM 0 H GLY A 4 3.165 16.661 -10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.215 14.668 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.686 14.912 -8.290 1.00 0.00 H new ATOM 37 N SER A 5 1.004 16.737 -8.419 1.00 0.00 N ATOM 38 CA SER A 5 0.249 17.787 -7.745 1.00 0.00 C ATOM 39 C SER A 5 -0.519 17.224 -6.553 1.00 0.00 C ATOM 40 O SER A 5 -0.536 17.817 -5.475 1.00 0.00 O ATOM 41 CB SER A 5 -0.722 18.454 -8.722 1.00 0.00 C ATOM 42 OG SER A 5 -1.705 17.537 -9.170 1.00 0.00 O ATOM 0 H SER A 5 0.462 16.192 -9.089 1.00 0.00 H new ATOM 0 HA SER A 5 0.956 18.532 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.205 19.302 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.171 18.847 -9.576 1.00 0.00 H new ATOM 0 HG SER A 5 -2.314 17.988 -9.792 1.00 0.00 H new ATOM 48 N SER A 6 -1.154 16.074 -6.756 1.00 0.00 N ATOM 49 CA SER A 6 -1.927 15.431 -5.700 1.00 0.00 C ATOM 50 C SER A 6 -1.024 14.593 -4.798 1.00 0.00 C ATOM 51 O SER A 6 -0.028 14.030 -5.249 1.00 0.00 O ATOM 52 CB SER A 6 -3.022 14.549 -6.304 1.00 0.00 C ATOM 53 OG SER A 6 -3.893 14.058 -5.301 1.00 0.00 O ATOM 0 H SER A 6 -1.148 15.569 -7.642 1.00 0.00 H new ATOM 0 HA SER A 6 -2.390 16.212 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.592 15.121 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.568 13.713 -6.836 1.00 0.00 H new ATOM 0 HG SER A 6 -4.584 13.499 -5.713 1.00 0.00 H new ATOM 59 N GLY A 7 -1.382 14.517 -3.520 1.00 0.00 N ATOM 60 CA GLY A 7 -0.595 13.747 -2.574 1.00 0.00 C ATOM 61 C GLY A 7 -1.313 12.498 -2.104 1.00 0.00 C ATOM 62 O GLY A 7 -1.808 12.445 -0.979 1.00 0.00 O ATOM 0 H GLY A 7 -2.203 14.975 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.351 13.466 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.356 14.371 -1.713 1.00 0.00 H new ATOM 66 N MET A 8 -1.370 11.490 -2.968 1.00 0.00 N ATOM 67 CA MET A 8 -2.033 10.235 -2.635 1.00 0.00 C ATOM 68 C MET A 8 -1.371 9.063 -3.353 1.00 0.00 C ATOM 69 O MET A 8 -1.193 9.089 -4.571 1.00 0.00 O ATOM 70 CB MET A 8 -3.516 10.303 -3.004 1.00 0.00 C ATOM 71 CG MET A 8 -4.280 11.380 -2.253 1.00 0.00 C ATOM 72 SD MET A 8 -4.514 10.979 -0.510 1.00 0.00 S ATOM 73 CE MET A 8 -5.712 12.222 -0.034 1.00 0.00 C ATOM 0 H MET A 8 -0.965 11.518 -3.904 1.00 0.00 H new ATOM 0 HA MET A 8 -1.941 10.078 -1.560 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.608 10.484 -4.075 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.977 9.336 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.743 12.325 -2.335 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.253 11.524 -2.722 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.959 12.104 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.292 13.214 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.615 12.105 -0.633 1.00 0.00 H new ATOM 83 N ALA A 9 -1.009 8.036 -2.591 1.00 0.00 N ATOM 84 CA ALA A 9 -0.369 6.854 -3.156 1.00 0.00 C ATOM 85 C ALA A 9 -1.311 5.655 -3.132 1.00 0.00 C ATOM 86 O ALA A 9 -1.719 5.196 -2.066 1.00 0.00 O ATOM 87 CB ALA A 9 0.913 6.536 -2.400 1.00 0.00 C ATOM 0 H ALA A 9 -1.148 7.999 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.121 7.067 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.380 5.651 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.598 7.381 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.680 6.348 -1.352 1.00 0.00 H new ATOM 93 N ASN A 10 -1.653 5.153 -4.314 1.00 0.00 N ATOM 94 CA ASN A 10 -2.548 4.007 -4.427 1.00 0.00 C ATOM 95 C ASN A 10 -1.901 2.752 -3.850 1.00 0.00 C ATOM 96 O ASN A 10 -0.949 2.214 -4.416 1.00 0.00 O ATOM 97 CB ASN A 10 -2.926 3.772 -5.891 1.00 0.00 C ATOM 98 CG ASN A 10 -1.823 4.184 -6.847 1.00 0.00 C ATOM 99 OD1 ASN A 10 -0.653 4.254 -6.468 1.00 0.00 O ATOM 100 ND2 ASN A 10 -2.191 4.459 -8.092 1.00 0.00 N ATOM 0 H ASN A 10 -1.324 5.521 -5.207 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.450 4.224 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.156 2.717 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.832 4.331 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.493 4.742 -8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.172 4.387 -8.361 1.00 0.00 H new ATOM 107 N TYR A 11 -2.425 2.290 -2.720 1.00 0.00 N ATOM 108 CA TYR A 11 -1.898 1.099 -2.064 1.00 0.00 C ATOM 109 C TYR A 11 -1.714 -0.038 -3.065 1.00 0.00 C ATOM 110 O TYR A 11 -0.635 -0.622 -3.167 1.00 0.00 O ATOM 111 CB TYR A 11 -2.834 0.655 -0.938 1.00 0.00 C ATOM 112 CG TYR A 11 -3.046 1.710 0.123 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.981 2.199 0.869 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.314 2.219 0.381 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.171 3.162 1.840 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.513 3.184 1.349 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.438 3.652 2.077 1.00 0.00 C ATOM 118 OH TYR A 11 -3.632 4.612 3.043 1.00 0.00 O ATOM 0 H TYR A 11 -3.214 2.722 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.925 1.349 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.799 0.382 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.427 -0.242 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.987 1.819 0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.158 1.853 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.331 3.530 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.504 3.570 1.535 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.582 4.849 3.082 1.00 0.00 H new ATOM 128 N TYR A 12 -2.775 -0.345 -3.803 1.00 0.00 N ATOM 129 CA TYR A 12 -2.733 -1.412 -4.796 1.00 0.00 C ATOM 130 C TYR A 12 -1.438 -1.357 -5.600 1.00 0.00 C ATOM 131 O TYR A 12 -0.817 -2.385 -5.867 1.00 0.00 O ATOM 132 CB TYR A 12 -3.935 -1.311 -5.736 1.00 0.00 C ATOM 133 CG TYR A 12 -5.249 -1.673 -5.080 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.573 -2.998 -4.816 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.165 -0.691 -4.726 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.773 -3.334 -4.217 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.366 -1.017 -4.126 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.665 -2.340 -3.874 1.00 0.00 C ATOM 139 OH TYR A 12 -8.861 -2.669 -3.278 1.00 0.00 O ATOM 0 H TYR A 12 -3.675 0.130 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.772 -2.365 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.999 -0.294 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.773 -1.967 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.876 -3.778 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.934 0.346 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.010 -4.369 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.067 -0.241 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.373 -1.853 -3.100 1.00 0.00 H new ATOM 149 N GLU A 13 -1.037 -0.148 -5.982 1.00 0.00 N ATOM 150 CA GLU A 13 0.184 0.042 -6.757 1.00 0.00 C ATOM 151 C GLU A 13 1.412 -0.357 -5.943 1.00 0.00 C ATOM 152 O GLU A 13 2.228 -1.165 -6.385 1.00 0.00 O ATOM 153 CB GLU A 13 0.307 1.499 -7.206 1.00 0.00 C ATOM 154 CG GLU A 13 -0.467 1.812 -8.475 1.00 0.00 C ATOM 155 CD GLU A 13 0.129 1.148 -9.701 1.00 0.00 C ATOM 156 OE1 GLU A 13 1.361 1.233 -9.883 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.638 0.543 -10.479 1.00 0.00 O ATOM 0 H GLU A 13 -1.539 0.713 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 13 0.129 -0.598 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.047 2.148 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.359 1.734 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.500 1.486 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.489 2.891 -8.626 1.00 0.00 H new ATOM 164 N VAL A 14 1.535 0.216 -4.750 1.00 0.00 N ATOM 165 CA VAL A 14 2.663 -0.078 -3.873 1.00 0.00 C ATOM 166 C VAL A 14 2.961 -1.573 -3.845 1.00 0.00 C ATOM 167 O VAL A 14 4.101 -1.994 -4.044 1.00 0.00 O ATOM 168 CB VAL A 14 2.398 0.408 -2.436 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.542 0.007 -1.517 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.189 1.915 -2.414 1.00 0.00 C ATOM 0 H VAL A 14 0.868 0.886 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 14 3.525 0.454 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 14 1.487 -0.068 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.337 0.359 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.640 -1.079 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.470 0.453 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.003 2.242 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.081 2.412 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.334 2.173 -3.038 1.00 0.00 H new ATOM 180 N LEU A 15 1.928 -2.372 -3.597 1.00 0.00 N ATOM 181 CA LEU A 15 2.079 -3.822 -3.544 1.00 0.00 C ATOM 182 C LEU A 15 2.212 -4.408 -4.946 1.00 0.00 C ATOM 183 O LEU A 15 3.014 -5.311 -5.178 1.00 0.00 O ATOM 184 CB LEU A 15 0.883 -4.452 -2.827 1.00 0.00 C ATOM 185 CG LEU A 15 0.836 -4.267 -1.310 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.584 -4.445 -0.794 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.781 -5.242 -0.623 1.00 0.00 C ATOM 0 H LEU A 15 0.978 -2.040 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 15 2.989 -4.048 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.030 -4.036 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.877 -5.520 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 15 1.161 -3.253 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.598 -4.310 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.236 -3.706 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.937 -5.447 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.734 -5.095 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.487 -6.264 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.800 -5.066 -0.969 1.00 0.00 H new ATOM 199 N GLY A 16 1.422 -3.885 -5.878 1.00 0.00 N ATOM 200 CA GLY A 16 1.469 -4.367 -7.246 1.00 0.00 C ATOM 201 C GLY A 16 0.390 -5.392 -7.537 1.00 0.00 C ATOM 202 O GLY A 16 0.622 -6.359 -8.263 1.00 0.00 O ATOM 0 H GLY A 16 0.750 -3.136 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.359 -3.524 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.447 -4.808 -7.439 1.00 0.00 H new ATOM 206 N VAL A 17 -0.793 -5.182 -6.968 1.00 0.00 N ATOM 207 CA VAL A 17 -1.911 -6.095 -7.170 1.00 0.00 C ATOM 208 C VAL A 17 -3.167 -5.342 -7.593 1.00 0.00 C ATOM 209 O VAL A 17 -3.206 -4.112 -7.557 1.00 0.00 O ATOM 210 CB VAL A 17 -2.215 -6.901 -5.893 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.006 -7.727 -5.482 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.643 -5.972 -4.767 1.00 0.00 C ATOM 0 H VAL A 17 -1.001 -4.387 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.618 -6.782 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.038 -7.585 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.240 -8.289 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.749 -8.419 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.162 -7.065 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.854 -6.558 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.842 -5.263 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.540 -5.429 -5.065 1.00 0.00 H new ATOM 222 N GLN A 18 -4.191 -6.088 -7.994 1.00 0.00 N ATOM 223 CA GLN A 18 -5.449 -5.490 -8.425 1.00 0.00 C ATOM 224 C GLN A 18 -6.513 -5.620 -7.340 1.00 0.00 C ATOM 225 O GLN A 18 -6.359 -6.394 -6.396 1.00 0.00 O ATOM 226 CB GLN A 18 -5.936 -6.149 -9.716 1.00 0.00 C ATOM 227 CG GLN A 18 -5.108 -5.782 -10.936 1.00 0.00 C ATOM 228 CD GLN A 18 -5.776 -6.181 -12.237 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.519 -7.161 -12.291 1.00 0.00 O ATOM 230 NE2 GLN A 18 -5.514 -5.422 -13.295 1.00 0.00 N ATOM 0 H GLN A 18 -4.174 -7.107 -8.029 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.274 -4.430 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.921 -7.232 -9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.973 -5.863 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.929 -4.707 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.134 -6.267 -10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.892 -4.619 -13.205 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.935 -5.642 -14.198 1.00 0.00 H new ATOM 239 N ALA A 19 -7.593 -4.859 -7.483 1.00 0.00 N ATOM 240 CA ALA A 19 -8.684 -4.891 -6.516 1.00 0.00 C ATOM 241 C ALA A 19 -9.366 -6.255 -6.503 1.00 0.00 C ATOM 242 O ALA A 19 -9.790 -6.737 -5.453 1.00 0.00 O ATOM 243 CB ALA A 19 -9.694 -3.796 -6.824 1.00 0.00 C ATOM 0 H ALA A 19 -7.736 -4.213 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.265 -4.715 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.503 -3.832 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.203 -2.824 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.101 -3.947 -7.824 1.00 0.00 H new ATOM 249 N SER A 20 -9.468 -6.871 -7.676 1.00 0.00 N ATOM 250 CA SER A 20 -10.103 -8.178 -7.801 1.00 0.00 C ATOM 251 C SER A 20 -9.098 -9.297 -7.545 1.00 0.00 C ATOM 252 O SER A 20 -9.329 -10.449 -7.910 1.00 0.00 O ATOM 253 CB SER A 20 -10.720 -8.338 -9.191 1.00 0.00 C ATOM 254 OG SER A 20 -11.481 -9.530 -9.277 1.00 0.00 O ATOM 0 H SER A 20 -9.119 -6.486 -8.554 1.00 0.00 H new ATOM 0 HA SER A 20 -10.892 -8.244 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.356 -7.480 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.931 -8.351 -9.943 1.00 0.00 H new ATOM 0 HG SER A 20 -11.013 -10.252 -8.807 1.00 0.00 H new ATOM 260 N ALA A 21 -7.980 -8.947 -6.916 1.00 0.00 N ATOM 261 CA ALA A 21 -6.940 -9.921 -6.610 1.00 0.00 C ATOM 262 C ALA A 21 -7.361 -10.832 -5.462 1.00 0.00 C ATOM 263 O ALA A 21 -8.320 -10.542 -4.747 1.00 0.00 O ATOM 264 CB ALA A 21 -5.636 -9.212 -6.273 1.00 0.00 C ATOM 0 H ALA A 21 -7.772 -7.997 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.786 -10.541 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.868 -9.951 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.319 -8.609 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.786 -8.567 -5.407 1.00 0.00 H new ATOM 270 N SER A 22 -6.638 -11.934 -5.291 1.00 0.00 N ATOM 271 CA SER A 22 -6.940 -12.890 -4.232 1.00 0.00 C ATOM 272 C SER A 22 -6.332 -12.442 -2.906 1.00 0.00 C ATOM 273 O SER A 22 -5.349 -11.702 -2.863 1.00 0.00 O ATOM 274 CB SER A 22 -6.415 -14.278 -4.603 1.00 0.00 C ATOM 275 OG SER A 22 -7.083 -14.787 -5.745 1.00 0.00 O ATOM 0 H SER A 22 -5.839 -12.187 -5.872 1.00 0.00 H new ATOM 0 HA SER A 22 -8.023 -12.938 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.344 -14.225 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.553 -14.959 -3.763 1.00 0.00 H new ATOM 0 HG SER A 22 -6.728 -15.674 -5.963 1.00 0.00 H new ATOM 281 N PRO A 23 -6.930 -12.900 -1.797 1.00 0.00 N ATOM 282 CA PRO A 23 -6.465 -12.561 -0.449 1.00 0.00 C ATOM 283 C PRO A 23 -5.128 -13.213 -0.115 1.00 0.00 C ATOM 284 O PRO A 23 -4.479 -12.852 0.866 1.00 0.00 O ATOM 285 CB PRO A 23 -7.569 -13.112 0.457 1.00 0.00 C ATOM 286 CG PRO A 23 -8.194 -14.210 -0.333 1.00 0.00 C ATOM 287 CD PRO A 23 -8.106 -13.786 -1.773 1.00 0.00 C ATOM 0 HA PRO A 23 -6.295 -11.490 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.161 -13.483 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.297 -12.341 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.672 -15.153 -0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.231 -14.364 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.978 -14.641 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.008 -13.265 -2.094 1.00 0.00 H new ATOM 295 N GLU A 24 -4.722 -14.175 -0.939 1.00 0.00 N ATOM 296 CA GLU A 24 -3.461 -14.877 -0.729 1.00 0.00 C ATOM 297 C GLU A 24 -2.344 -14.247 -1.556 1.00 0.00 C ATOM 298 O GLU A 24 -1.173 -14.301 -1.179 1.00 0.00 O ATOM 299 CB GLU A 24 -3.609 -16.356 -1.094 1.00 0.00 C ATOM 300 CG GLU A 24 -4.337 -17.173 -0.040 1.00 0.00 C ATOM 301 CD GLU A 24 -3.435 -17.580 1.108 1.00 0.00 C ATOM 302 OE1 GLU A 24 -2.762 -16.696 1.677 1.00 0.00 O ATOM 303 OE2 GLU A 24 -3.403 -18.784 1.438 1.00 0.00 O ATOM 0 H GLU A 24 -5.247 -14.485 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.199 -14.795 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.146 -16.436 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.619 -16.783 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.175 -16.594 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.755 -18.067 -0.503 1.00 0.00 H new ATOM 310 N ASP A 25 -2.714 -13.651 -2.684 1.00 0.00 N ATOM 311 CA ASP A 25 -1.744 -13.011 -3.564 1.00 0.00 C ATOM 312 C ASP A 25 -1.131 -11.784 -2.896 1.00 0.00 C ATOM 313 O ASP A 25 0.086 -11.596 -2.920 1.00 0.00 O ATOM 314 CB ASP A 25 -2.408 -12.610 -4.883 1.00 0.00 C ATOM 315 CG ASP A 25 -2.316 -13.700 -5.932 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.186 -14.030 -6.347 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.375 -14.224 -6.338 1.00 0.00 O ATOM 0 H ASP A 25 -3.679 -13.598 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.948 -13.727 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.456 -12.372 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.937 -11.703 -5.263 1.00 0.00 H new ATOM 322 N ILE A 26 -1.981 -10.953 -2.301 1.00 0.00 N ATOM 323 CA ILE A 26 -1.522 -9.746 -1.627 1.00 0.00 C ATOM 324 C ILE A 26 -0.554 -10.081 -0.497 1.00 0.00 C ATOM 325 O ILE A 26 0.465 -9.414 -0.318 1.00 0.00 O ATOM 326 CB ILE A 26 -2.701 -8.937 -1.055 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.649 -8.511 -2.178 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.192 -7.722 -0.295 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.068 -8.270 -1.713 1.00 0.00 C ATOM 0 H ILE A 26 -2.991 -11.094 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.008 -9.143 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.253 -9.570 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.267 -7.600 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.654 -9.281 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.038 -7.161 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.554 -8.048 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.619 -7.085 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.683 -7.971 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.469 -9.186 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.076 -7.479 -0.963 1.00 0.00 H new ATOM 341 N LYS A 27 -0.880 -11.121 0.264 1.00 0.00 N ATOM 342 CA LYS A 27 -0.039 -11.548 1.376 1.00 0.00 C ATOM 343 C LYS A 27 1.307 -12.061 0.874 1.00 0.00 C ATOM 344 O LYS A 27 2.359 -11.683 1.391 1.00 0.00 O ATOM 345 CB LYS A 27 -0.744 -12.640 2.184 1.00 0.00 C ATOM 346 CG LYS A 27 0.055 -13.121 3.383 1.00 0.00 C ATOM 347 CD LYS A 27 -0.321 -14.542 3.770 1.00 0.00 C ATOM 348 CE LYS A 27 -1.550 -14.569 4.665 1.00 0.00 C ATOM 349 NZ LYS A 27 -1.873 -15.949 5.122 1.00 0.00 N ATOM 0 H LYS A 27 -1.720 -11.683 0.131 1.00 0.00 H new ATOM 0 HA LYS A 27 0.138 -10.685 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.707 -12.262 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.949 -13.488 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.120 -13.075 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.119 -12.455 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.512 -15.127 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.516 -15.014 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.382 -13.929 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.402 -14.157 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.717 -15.925 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.058 -16.554 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.070 -16.333 5.660 1.00 0.00 H new ATOM 363 N LYS A 28 1.267 -12.923 -0.136 1.00 0.00 N ATOM 364 CA LYS A 28 2.484 -13.486 -0.710 1.00 0.00 C ATOM 365 C LYS A 28 3.380 -12.387 -1.271 1.00 0.00 C ATOM 366 O LYS A 28 4.585 -12.370 -1.025 1.00 0.00 O ATOM 367 CB LYS A 28 2.135 -14.488 -1.813 1.00 0.00 C ATOM 368 CG LYS A 28 1.643 -15.825 -1.288 1.00 0.00 C ATOM 369 CD LYS A 28 1.458 -16.832 -2.410 1.00 0.00 C ATOM 370 CE LYS A 28 0.443 -17.902 -2.038 1.00 0.00 C ATOM 371 NZ LYS A 28 0.602 -19.129 -2.867 1.00 0.00 N ATOM 0 H LYS A 28 0.405 -13.247 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 28 3.026 -14.002 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.368 -14.055 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.015 -14.653 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.355 -16.216 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.697 -15.685 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.130 -16.316 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.415 -17.301 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.555 -18.158 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.565 -17.506 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.108 -19.834 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.470 -18.890 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.555 -19.521 -2.727 1.00 0.00 H new ATOM 385 N ALA A 29 2.782 -11.470 -2.026 1.00 0.00 N ATOM 386 CA ALA A 29 3.526 -10.366 -2.619 1.00 0.00 C ATOM 387 C ALA A 29 4.180 -9.504 -1.544 1.00 0.00 C ATOM 388 O ALA A 29 5.338 -9.107 -1.672 1.00 0.00 O ATOM 389 CB ALA A 29 2.610 -9.520 -3.491 1.00 0.00 C ATOM 0 H ALA A 29 1.785 -11.470 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 29 4.316 -10.786 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.179 -8.699 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.194 -10.137 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.800 -9.117 -2.884 1.00 0.00 H new ATOM 395 N TYR A 30 3.430 -9.219 -0.485 1.00 0.00 N ATOM 396 CA TYR A 30 3.936 -8.401 0.611 1.00 0.00 C ATOM 397 C TYR A 30 5.234 -8.979 1.168 1.00 0.00 C ATOM 398 O TYR A 30 6.281 -8.334 1.126 1.00 0.00 O ATOM 399 CB TYR A 30 2.891 -8.300 1.724 1.00 0.00 C ATOM 400 CG TYR A 30 3.483 -8.017 3.086 1.00 0.00 C ATOM 401 CD1 TYR A 30 3.908 -6.739 3.429 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.616 -9.027 4.031 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.449 -6.476 4.672 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.155 -8.773 5.277 1.00 0.00 C ATOM 405 CZ TYR A 30 4.571 -7.496 5.593 1.00 0.00 C ATOM 406 OH TYR A 30 5.109 -7.238 6.833 1.00 0.00 O ATOM 0 H TYR A 30 2.470 -9.542 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 30 4.141 -7.404 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.182 -7.511 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.328 -9.232 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.814 -5.938 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.292 -10.028 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.775 -5.477 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.250 -9.570 6.000 1.00 0.00 H new ATOM 0 HH TYR A 30 5.123 -8.063 7.362 1.00 0.00 H new ATOM 416 N ARG A 31 5.155 -10.199 1.689 1.00 0.00 N ATOM 417 CA ARG A 31 6.322 -10.865 2.255 1.00 0.00 C ATOM 418 C ARG A 31 7.552 -10.644 1.379 1.00 0.00 C ATOM 419 O ARG A 31 8.536 -10.042 1.811 1.00 0.00 O ATOM 420 CB ARG A 31 6.056 -12.363 2.410 1.00 0.00 C ATOM 421 CG ARG A 31 4.859 -12.681 3.292 1.00 0.00 C ATOM 422 CD ARG A 31 4.774 -14.167 3.602 1.00 0.00 C ATOM 423 NE ARG A 31 3.694 -14.470 4.536 1.00 0.00 N ATOM 424 CZ ARG A 31 3.722 -14.145 5.824 1.00 0.00 C ATOM 425 NH1 ARG A 31 4.770 -13.509 6.327 1.00 0.00 N ATOM 426 NH2 ARG A 31 2.699 -14.455 6.610 1.00 0.00 N ATOM 0 H ARG A 31 4.295 -10.746 1.731 1.00 0.00 H new ATOM 0 HA ARG A 31 6.514 -10.434 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.896 -12.799 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.942 -12.839 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.932 -12.118 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.944 -12.359 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.619 -14.722 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.722 -14.505 4.022 1.00 0.00 H new ATOM 0 HE ARG A 31 2.872 -14.958 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.557 -13.268 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.789 -13.260 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.890 -14.943 6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.721 -14.205 7.599 1.00 0.00 H new ATOM 440 N LYS A 32 7.489 -11.135 0.146 1.00 0.00 N ATOM 441 CA LYS A 32 8.596 -10.991 -0.792 1.00 0.00 C ATOM 442 C LYS A 32 8.972 -9.524 -0.971 1.00 0.00 C ATOM 443 O LYS A 32 10.151 -9.169 -0.967 1.00 0.00 O ATOM 444 CB LYS A 32 8.227 -11.603 -2.146 1.00 0.00 C ATOM 445 CG LYS A 32 7.752 -13.042 -2.054 1.00 0.00 C ATOM 446 CD LYS A 32 8.877 -13.976 -1.639 1.00 0.00 C ATOM 447 CE LYS A 32 9.635 -14.505 -2.846 1.00 0.00 C ATOM 448 NZ LYS A 32 8.839 -15.509 -3.605 1.00 0.00 N ATOM 0 H LYS A 32 6.683 -11.636 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 32 9.457 -11.520 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.445 -11.000 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.094 -11.557 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.936 -13.111 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.354 -13.357 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.565 -13.448 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.467 -14.811 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.895 -13.675 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.571 -14.957 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.469 -16.050 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.372 -16.157 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.119 -15.022 -4.176 1.00 0.00 H new ATOM 462 N LEU A 33 7.962 -8.675 -1.126 1.00 0.00 N ATOM 463 CA LEU A 33 8.186 -7.244 -1.304 1.00 0.00 C ATOM 464 C LEU A 33 9.067 -6.688 -0.190 1.00 0.00 C ATOM 465 O LEU A 33 10.140 -6.144 -0.447 1.00 0.00 O ATOM 466 CB LEU A 33 6.851 -6.498 -1.335 1.00 0.00 C ATOM 467 CG LEU A 33 6.100 -6.521 -2.666 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.672 -6.031 -2.482 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.826 -5.675 -3.702 1.00 0.00 C ATOM 0 H LEU A 33 6.980 -8.952 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 33 8.699 -7.097 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.203 -6.922 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.032 -5.459 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 33 6.066 -7.550 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.153 -6.054 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.154 -6.677 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.684 -5.010 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.277 -5.703 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.891 -4.645 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.830 -6.070 -3.855 1.00 0.00 H new ATOM 481 N ALA A 34 8.606 -6.830 1.048 1.00 0.00 N ATOM 482 CA ALA A 34 9.353 -6.346 2.202 1.00 0.00 C ATOM 483 C ALA A 34 10.849 -6.584 2.026 1.00 0.00 C ATOM 484 O ALA A 34 11.657 -5.668 2.188 1.00 0.00 O ATOM 485 CB ALA A 34 8.856 -7.018 3.473 1.00 0.00 C ATOM 0 H ALA A 34 7.718 -7.277 1.278 1.00 0.00 H new ATOM 0 HA ALA A 34 9.189 -5.272 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.423 -6.647 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.799 -6.793 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.989 -8.097 3.390 1.00 0.00 H new ATOM 491 N LEU A 35 11.212 -7.818 1.695 1.00 0.00 N ATOM 492 CA LEU A 35 12.612 -8.177 1.497 1.00 0.00 C ATOM 493 C LEU A 35 13.173 -7.513 0.244 1.00 0.00 C ATOM 494 O LEU A 35 14.320 -7.065 0.227 1.00 0.00 O ATOM 495 CB LEU A 35 12.760 -9.696 1.394 1.00 0.00 C ATOM 496 CG LEU A 35 14.185 -10.240 1.503 1.00 0.00 C ATOM 497 CD1 LEU A 35 14.169 -11.684 1.980 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.904 -10.126 0.167 1.00 0.00 C ATOM 0 H LEU A 35 10.556 -8.587 1.558 1.00 0.00 H new ATOM 0 HA LEU A 35 13.178 -7.821 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.157 -10.154 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.341 -10.018 0.441 1.00 0.00 H new ATOM 0 HG LEU A 35 14.727 -9.642 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.191 -12.055 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.694 -11.738 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.610 -12.295 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.916 -10.518 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.364 -10.699 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.947 -9.079 -0.135 1.00 0.00 H new ATOM 510 N ARG A 36 12.356 -7.451 -0.802 1.00 0.00 N ATOM 511 CA ARG A 36 12.770 -6.840 -2.060 1.00 0.00 C ATOM 512 C ARG A 36 13.197 -5.391 -1.846 1.00 0.00 C ATOM 513 O ARG A 36 14.299 -4.996 -2.228 1.00 0.00 O ATOM 514 CB ARG A 36 11.633 -6.903 -3.081 1.00 0.00 C ATOM 515 CG ARG A 36 11.976 -6.260 -4.415 1.00 0.00 C ATOM 516 CD ARG A 36 11.166 -6.867 -5.550 1.00 0.00 C ATOM 517 NE ARG A 36 11.437 -6.213 -6.827 1.00 0.00 N ATOM 518 CZ ARG A 36 10.587 -6.211 -7.848 1.00 0.00 C ATOM 519 NH1 ARG A 36 9.417 -6.826 -7.741 1.00 0.00 N ATOM 520 NH2 ARG A 36 10.906 -5.594 -8.978 1.00 0.00 N ATOM 0 H ARG A 36 11.404 -7.816 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 36 13.624 -7.399 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.364 -7.946 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.755 -6.410 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.785 -5.188 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.040 -6.385 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.395 -7.929 -5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.104 -6.787 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 36 12.329 -5.731 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.168 -7.302 -6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.766 -6.823 -8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.805 -5.120 -9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.252 -5.593 -9.761 1.00 0.00 H new ATOM 534 N TRP A 37 12.319 -4.605 -1.235 1.00 0.00 N ATOM 535 CA TRP A 37 12.605 -3.199 -0.971 1.00 0.00 C ATOM 536 C TRP A 37 13.483 -3.045 0.265 1.00 0.00 C ATOM 537 O TRP A 37 13.626 -1.948 0.804 1.00 0.00 O ATOM 538 CB TRP A 37 11.302 -2.419 -0.787 1.00 0.00 C ATOM 539 CG TRP A 37 10.668 -2.008 -2.081 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.544 -2.538 -2.647 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.122 -0.982 -2.970 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.272 -1.903 -3.835 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.225 -0.944 -4.056 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.198 -0.090 -2.955 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.373 -0.051 -5.113 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.344 0.796 -4.005 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.435 0.811 -5.072 1.00 0.00 C ATOM 0 H TRP A 37 11.403 -4.917 -0.913 1.00 0.00 H new ATOM 0 HA TRP A 37 13.144 -2.796 -1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.597 -3.031 -0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.501 -1.529 -0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.955 -3.338 -2.223 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.487 -2.112 -4.452 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.903 -0.093 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.674 -0.039 -5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.173 1.489 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.576 1.517 -5.877 1.00 0.00 H new ATOM 558 N HIS A 38 14.071 -4.152 0.710 1.00 0.00 N ATOM 559 CA HIS A 38 14.937 -4.139 1.884 1.00 0.00 C ATOM 560 C HIS A 38 16.296 -3.530 1.549 1.00 0.00 C ATOM 561 O HIS A 38 16.860 -3.762 0.480 1.00 0.00 O ATOM 562 CB HIS A 38 15.119 -5.557 2.425 1.00 0.00 C ATOM 563 CG HIS A 38 15.365 -5.607 3.902 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.621 -5.495 4.460 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.507 -5.757 4.938 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.525 -5.576 5.775 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.252 -5.734 6.091 1.00 0.00 N ATOM 0 H HIS A 38 13.963 -5.069 0.275 1.00 0.00 H new ATOM 0 HA HIS A 38 14.462 -3.525 2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.229 -6.143 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.955 -6.029 1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.435 -5.873 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.347 -5.522 6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.883 -5.824 7.038 1.00 0.00 H new ATOM 575 N PRO A 39 16.834 -2.733 2.484 1.00 0.00 N ATOM 576 CA PRO A 39 18.132 -2.075 2.311 1.00 0.00 C ATOM 577 C PRO A 39 19.292 -3.064 2.346 1.00 0.00 C ATOM 578 O PRO A 39 20.198 -3.003 1.514 1.00 0.00 O ATOM 579 CB PRO A 39 18.207 -1.119 3.504 1.00 0.00 C ATOM 580 CG PRO A 39 17.325 -1.731 4.536 1.00 0.00 C ATOM 581 CD PRO A 39 16.216 -2.412 3.782 1.00 0.00 C ATOM 0 HA PRO A 39 18.212 -1.578 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 39 19.230 -1.018 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.865 -0.120 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.877 -2.445 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.929 -0.972 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.872 -3.309 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.350 -1.760 3.665 1.00 0.00 H new ATOM 589 N ASP A 40 19.259 -3.973 3.314 1.00 0.00 N ATOM 590 CA ASP A 40 20.307 -4.977 3.456 1.00 0.00 C ATOM 591 C ASP A 40 20.549 -5.702 2.136 1.00 0.00 C ATOM 592 O ASP A 40 21.677 -6.082 1.822 1.00 0.00 O ATOM 593 CB ASP A 40 19.934 -5.984 4.545 1.00 0.00 C ATOM 594 CG ASP A 40 21.151 -6.571 5.233 1.00 0.00 C ATOM 595 OD1 ASP A 40 21.889 -7.339 4.581 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.366 -6.260 6.423 1.00 0.00 O ATOM 0 H ASP A 40 18.518 -4.035 4.012 1.00 0.00 H new ATOM 0 HA ASP A 40 21.227 -4.468 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.302 -5.495 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.345 -6.789 4.105 1.00 0.00 H new ATOM 601 N LYS A 41 19.482 -5.892 1.367 1.00 0.00 N ATOM 602 CA LYS A 41 19.577 -6.571 0.081 1.00 0.00 C ATOM 603 C LYS A 41 19.961 -5.592 -1.024 1.00 0.00 C ATOM 604 O LYS A 41 20.460 -5.993 -2.075 1.00 0.00 O ATOM 605 CB LYS A 41 18.247 -7.246 -0.261 1.00 0.00 C ATOM 606 CG LYS A 41 18.139 -8.672 0.251 1.00 0.00 C ATOM 607 CD LYS A 41 18.960 -9.632 -0.593 1.00 0.00 C ATOM 608 CE LYS A 41 19.427 -10.830 0.220 1.00 0.00 C ATOM 609 NZ LYS A 41 20.013 -11.892 -0.643 1.00 0.00 N ATOM 0 H LYS A 41 18.541 -5.585 1.613 1.00 0.00 H new ATOM 0 HA LYS A 41 20.355 -7.331 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.432 -6.656 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.117 -7.247 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.479 -8.714 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.094 -8.983 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.364 -9.975 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.825 -9.110 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.168 -10.506 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.586 -11.240 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.319 -12.691 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.298 -12.219 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.832 -11.509 -1.157 1.00 0.00 H new ATOM 623 N ASN A 42 19.727 -4.307 -0.779 1.00 0.00 N ATOM 624 CA ASN A 42 20.050 -3.272 -1.753 1.00 0.00 C ATOM 625 C ASN A 42 21.228 -2.427 -1.278 1.00 0.00 C ATOM 626 O ASN A 42 21.090 -1.546 -0.429 1.00 0.00 O ATOM 627 CB ASN A 42 18.833 -2.377 -2.000 1.00 0.00 C ATOM 628 CG ASN A 42 17.721 -3.103 -2.732 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.866 -3.471 -3.898 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.602 -3.313 -2.048 1.00 0.00 N ATOM 0 H ASN A 42 19.315 -3.958 0.086 1.00 0.00 H new ATOM 0 HA ASN A 42 20.329 -3.761 -2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.456 -2.009 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.138 -1.506 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.819 -3.797 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.526 -2.991 -1.083 1.00 0.00 H new ATOM 637 N PRO A 43 22.415 -2.699 -1.840 1.00 0.00 N ATOM 638 CA PRO A 43 23.641 -1.974 -1.490 1.00 0.00 C ATOM 639 C PRO A 43 23.625 -0.534 -1.990 1.00 0.00 C ATOM 640 O PRO A 43 23.873 0.401 -1.227 1.00 0.00 O ATOM 641 CB PRO A 43 24.739 -2.773 -2.197 1.00 0.00 C ATOM 642 CG PRO A 43 24.048 -3.440 -3.336 1.00 0.00 C ATOM 643 CD PRO A 43 22.653 -3.735 -2.859 1.00 0.00 C ATOM 0 HA PRO A 43 23.777 -1.899 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.540 -2.122 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.192 -3.503 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.032 -2.795 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.564 -4.356 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.929 -3.673 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.576 -4.738 -2.438 1.00 0.00 H new ATOM 651 N ASP A 44 23.331 -0.361 -3.274 1.00 0.00 N ATOM 652 CA ASP A 44 23.281 0.967 -3.875 1.00 0.00 C ATOM 653 C ASP A 44 22.621 1.967 -2.929 1.00 0.00 C ATOM 654 O ASP A 44 23.251 2.928 -2.490 1.00 0.00 O ATOM 655 CB ASP A 44 22.520 0.922 -5.201 1.00 0.00 C ATOM 656 CG ASP A 44 22.730 2.172 -6.032 1.00 0.00 C ATOM 657 OD1 ASP A 44 22.923 3.253 -5.438 1.00 0.00 O ATOM 658 OD2 ASP A 44 22.701 2.070 -7.276 1.00 0.00 O ATOM 0 H ASP A 44 23.124 -1.124 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 44 24.304 1.292 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.842 0.051 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 44 21.456 0.796 -5.002 1.00 0.00 H new ATOM 663 N ASN A 45 21.349 1.733 -2.623 1.00 0.00 N ATOM 664 CA ASN A 45 20.604 2.614 -1.731 1.00 0.00 C ATOM 665 C ASN A 45 19.879 1.812 -0.655 1.00 0.00 C ATOM 666 O ASN A 45 18.987 1.017 -0.952 1.00 0.00 O ATOM 667 CB ASN A 45 19.597 3.446 -2.527 1.00 0.00 C ATOM 668 CG ASN A 45 18.939 2.651 -3.638 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.613 2.121 -4.521 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.614 2.563 -3.597 1.00 0.00 N ATOM 0 H ASN A 45 20.813 0.942 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 45 21.314 3.282 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.830 3.826 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.103 4.312 -2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.115 2.040 -4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.096 3.019 -2.846 1.00 0.00 H new ATOM 677 N LYS A 46 20.269 2.025 0.598 1.00 0.00 N ATOM 678 CA LYS A 46 19.656 1.325 1.720 1.00 0.00 C ATOM 679 C LYS A 46 18.517 2.145 2.317 1.00 0.00 C ATOM 680 O LYS A 46 17.355 1.746 2.256 1.00 0.00 O ATOM 681 CB LYS A 46 20.703 1.028 2.796 1.00 0.00 C ATOM 682 CG LYS A 46 21.504 -0.235 2.533 1.00 0.00 C ATOM 683 CD LYS A 46 22.649 0.021 1.567 1.00 0.00 C ATOM 684 CE LYS A 46 23.959 0.253 2.304 1.00 0.00 C ATOM 685 NZ LYS A 46 24.077 1.652 2.799 1.00 0.00 N ATOM 0 H LYS A 46 21.007 2.677 0.861 1.00 0.00 H new ATOM 0 HA LYS A 46 19.248 0.385 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.387 1.873 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.204 0.938 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.899 -0.619 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.848 -1.004 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.755 -0.829 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.419 0.890 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.030 -0.437 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.794 0.031 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.053 1.828 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.834 2.313 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.426 1.794 3.598 1.00 0.00 H new ATOM 699 N GLU A 47 18.859 3.294 2.893 1.00 0.00 N ATOM 700 CA GLU A 47 17.864 4.170 3.500 1.00 0.00 C ATOM 701 C GLU A 47 16.591 4.212 2.659 1.00 0.00 C ATOM 702 O GLU A 47 15.492 4.001 3.169 1.00 0.00 O ATOM 703 CB GLU A 47 18.428 5.583 3.663 1.00 0.00 C ATOM 704 CG GLU A 47 17.463 6.549 4.329 1.00 0.00 C ATOM 705 CD GLU A 47 17.348 6.321 5.824 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.671 5.205 6.281 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.935 7.260 6.537 1.00 0.00 O ATOM 0 H GLU A 47 19.817 3.639 2.952 1.00 0.00 H new ATOM 0 HA GLU A 47 17.616 3.770 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.344 5.534 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.700 5.972 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.794 7.571 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.479 6.446 3.873 1.00 0.00 H new ATOM 714 N GLU A 48 16.751 4.486 1.368 1.00 0.00 N ATOM 715 CA GLU A 48 15.614 4.558 0.457 1.00 0.00 C ATOM 716 C GLU A 48 14.785 3.278 0.520 1.00 0.00 C ATOM 717 O GLU A 48 13.559 3.324 0.619 1.00 0.00 O ATOM 718 CB GLU A 48 16.095 4.797 -0.976 1.00 0.00 C ATOM 719 CG GLU A 48 14.968 4.863 -1.993 1.00 0.00 C ATOM 720 CD GLU A 48 15.364 5.604 -3.255 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.186 6.540 -3.159 1.00 0.00 O ATOM 722 OE2 GLU A 48 14.852 5.250 -4.337 1.00 0.00 O ATOM 0 H GLU A 48 17.655 4.662 0.930 1.00 0.00 H new ATOM 0 HA GLU A 48 14.986 5.393 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.659 5.729 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.781 3.998 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.658 3.851 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.106 5.355 -1.543 1.00 0.00 H new ATOM 729 N ALA A 49 15.464 2.137 0.461 1.00 0.00 N ATOM 730 CA ALA A 49 14.792 0.845 0.513 1.00 0.00 C ATOM 731 C ALA A 49 13.953 0.712 1.779 1.00 0.00 C ATOM 732 O ALA A 49 12.745 0.486 1.713 1.00 0.00 O ATOM 733 CB ALA A 49 15.809 -0.284 0.431 1.00 0.00 C ATOM 0 H ALA A 49 16.479 2.081 0.377 1.00 0.00 H new ATOM 0 HA ALA A 49 14.122 0.779 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.292 -1.243 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.362 -0.209 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.503 -0.210 1.269 1.00 0.00 H new ATOM 739 N GLU A 50 14.601 0.855 2.931 1.00 0.00 N ATOM 740 CA GLU A 50 13.913 0.749 4.212 1.00 0.00 C ATOM 741 C GLU A 50 12.553 1.439 4.158 1.00 0.00 C ATOM 742 O GLU A 50 11.516 0.809 4.364 1.00 0.00 O ATOM 743 CB GLU A 50 14.765 1.363 5.325 1.00 0.00 C ATOM 744 CG GLU A 50 14.554 0.713 6.682 1.00 0.00 C ATOM 745 CD GLU A 50 15.604 -0.335 6.997 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.790 0.034 7.126 1.00 0.00 O ATOM 747 OE2 GLU A 50 15.240 -1.523 7.114 1.00 0.00 O ATOM 0 H GLU A 50 15.601 1.044 3.003 1.00 0.00 H new ATOM 0 HA GLU A 50 13.756 -0.308 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.817 1.282 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.537 2.426 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.570 1.481 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.566 0.252 6.710 1.00 0.00 H new ATOM 754 N LYS A 51 12.566 2.738 3.879 1.00 0.00 N ATOM 755 CA LYS A 51 11.336 3.516 3.797 1.00 0.00 C ATOM 756 C LYS A 51 10.226 2.710 3.128 1.00 0.00 C ATOM 757 O LYS A 51 9.176 2.468 3.723 1.00 0.00 O ATOM 758 CB LYS A 51 11.578 4.812 3.020 1.00 0.00 C ATOM 759 CG LYS A 51 10.304 5.564 2.678 1.00 0.00 C ATOM 760 CD LYS A 51 9.587 6.043 3.930 1.00 0.00 C ATOM 761 CE LYS A 51 10.306 7.222 4.567 1.00 0.00 C ATOM 762 NZ LYS A 51 9.557 7.762 5.736 1.00 0.00 N ATOM 0 H LYS A 51 13.416 3.275 3.706 1.00 0.00 H new ATOM 0 HA LYS A 51 11.023 3.761 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.227 5.462 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.111 4.579 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.543 6.419 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.642 4.917 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.566 6.331 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.520 5.225 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.301 6.912 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.439 8.010 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.079 8.564 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.616 8.082 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.452 7.018 6.455 1.00 0.00 H new ATOM 776 N LYS A 52 10.467 2.295 1.889 1.00 0.00 N ATOM 777 CA LYS A 52 9.491 1.513 1.141 1.00 0.00 C ATOM 778 C LYS A 52 8.947 0.367 1.987 1.00 0.00 C ATOM 779 O LYS A 52 7.743 0.110 2.003 1.00 0.00 O ATOM 780 CB LYS A 52 10.122 0.962 -0.140 1.00 0.00 C ATOM 781 CG LYS A 52 10.391 2.024 -1.192 1.00 0.00 C ATOM 782 CD LYS A 52 9.179 2.248 -2.080 1.00 0.00 C ATOM 783 CE LYS A 52 9.449 3.311 -3.134 1.00 0.00 C ATOM 784 NZ LYS A 52 8.334 3.416 -4.115 1.00 0.00 N ATOM 0 H LYS A 52 11.331 2.488 1.382 1.00 0.00 H new ATOM 0 HA LYS A 52 8.662 2.170 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.060 0.466 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.463 0.203 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.664 2.960 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.241 1.724 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.906 1.312 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.329 2.549 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.597 4.275 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.374 3.074 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.557 4.151 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.209 2.503 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.456 3.667 -3.617 1.00 0.00 H new ATOM 798 N PHE A 53 9.842 -0.319 2.690 1.00 0.00 N ATOM 799 CA PHE A 53 9.451 -1.438 3.540 1.00 0.00 C ATOM 800 C PHE A 53 8.202 -1.098 4.348 1.00 0.00 C ATOM 801 O PHE A 53 7.275 -1.902 4.447 1.00 0.00 O ATOM 802 CB PHE A 53 10.596 -1.814 4.483 1.00 0.00 C ATOM 803 CG PHE A 53 10.386 -3.123 5.190 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.549 -3.204 6.291 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.025 -4.271 4.753 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.353 -4.407 6.943 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.833 -5.477 5.401 1.00 0.00 C ATOM 808 CZ PHE A 53 9.997 -5.544 6.498 1.00 0.00 C ATOM 0 H PHE A 53 10.842 -0.120 2.688 1.00 0.00 H new ATOM 0 HA PHE A 53 9.225 -2.288 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.524 -1.863 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.719 -1.025 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.044 -2.317 6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.681 -4.224 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.697 -4.457 7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.336 -6.366 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.847 -6.485 7.007 1.00 0.00 H new ATOM 818 N LYS A 54 8.185 0.099 4.924 1.00 0.00 N ATOM 819 CA LYS A 54 7.052 0.548 5.723 1.00 0.00 C ATOM 820 C LYS A 54 5.786 0.628 4.875 1.00 0.00 C ATOM 821 O LYS A 54 4.739 0.101 5.253 1.00 0.00 O ATOM 822 CB LYS A 54 7.349 1.915 6.344 1.00 0.00 C ATOM 823 CG LYS A 54 6.194 2.480 7.153 1.00 0.00 C ATOM 824 CD LYS A 54 6.677 3.471 8.198 1.00 0.00 C ATOM 825 CE LYS A 54 7.318 2.763 9.382 1.00 0.00 C ATOM 826 NZ LYS A 54 7.369 3.635 10.588 1.00 0.00 N ATOM 0 H LYS A 54 8.944 0.776 4.852 1.00 0.00 H new ATOM 0 HA LYS A 54 6.890 -0.179 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.225 1.830 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.604 2.618 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.486 2.971 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.659 1.666 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.397 4.154 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.838 4.075 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.756 1.858 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.328 2.452 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.813 3.116 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.927 4.487 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.403 3.911 10.858 1.00 0.00 H new ATOM 840 N LEU A 55 5.889 1.288 3.727 1.00 0.00 N ATOM 841 CA LEU A 55 4.753 1.435 2.824 1.00 0.00 C ATOM 842 C LEU A 55 4.146 0.077 2.487 1.00 0.00 C ATOM 843 O LEU A 55 2.935 -0.116 2.590 1.00 0.00 O ATOM 844 CB LEU A 55 5.185 2.147 1.541 1.00 0.00 C ATOM 845 CG LEU A 55 5.127 3.674 1.568 1.00 0.00 C ATOM 846 CD1 LEU A 55 6.193 4.266 0.658 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.744 4.163 1.160 1.00 0.00 C ATOM 0 H LEU A 55 6.748 1.730 3.399 1.00 0.00 H new ATOM 0 HA LEU A 55 3.995 2.036 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.207 1.846 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.556 1.794 0.724 1.00 0.00 H new ATOM 0 HG LEU A 55 5.323 4.007 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.136 5.354 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.178 3.944 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.029 3.925 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.721 5.252 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.519 3.818 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.000 3.769 1.852 1.00 0.00 H new ATOM 859 N VAL A 56 4.997 -0.862 2.084 1.00 0.00 N ATOM 860 CA VAL A 56 4.545 -2.203 1.735 1.00 0.00 C ATOM 861 C VAL A 56 3.693 -2.804 2.848 1.00 0.00 C ATOM 862 O VAL A 56 2.674 -3.442 2.587 1.00 0.00 O ATOM 863 CB VAL A 56 5.735 -3.140 1.452 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.249 -4.560 1.205 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.543 -2.631 0.268 1.00 0.00 C ATOM 0 H VAL A 56 6.003 -0.718 1.991 1.00 0.00 H new ATOM 0 HA VAL A 56 3.943 -2.109 0.832 1.00 0.00 H new ATOM 0 HB VAL A 56 6.384 -3.151 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.103 -5.208 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.717 -4.921 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.578 -4.571 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.380 -3.305 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.907 -2.590 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.923 -1.633 0.489 1.00 0.00 H new ATOM 875 N SER A 57 4.118 -2.594 4.090 1.00 0.00 N ATOM 876 CA SER A 57 3.396 -3.118 5.243 1.00 0.00 C ATOM 877 C SER A 57 2.023 -2.465 5.366 1.00 0.00 C ATOM 878 O SER A 57 1.004 -3.150 5.442 1.00 0.00 O ATOM 879 CB SER A 57 4.201 -2.885 6.524 1.00 0.00 C ATOM 880 OG SER A 57 5.510 -3.414 6.406 1.00 0.00 O ATOM 0 H SER A 57 4.958 -2.065 4.323 1.00 0.00 H new ATOM 0 HA SER A 57 3.258 -4.190 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.255 -1.817 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.692 -3.351 7.367 1.00 0.00 H new ATOM 0 HG SER A 57 6.035 -2.854 5.797 1.00 0.00 H new ATOM 886 N GLU A 58 2.006 -1.136 5.386 1.00 0.00 N ATOM 887 CA GLU A 58 0.758 -0.390 5.501 1.00 0.00 C ATOM 888 C GLU A 58 -0.238 -0.829 4.432 1.00 0.00 C ATOM 889 O GLU A 58 -1.328 -1.309 4.744 1.00 0.00 O ATOM 890 CB GLU A 58 1.023 1.112 5.381 1.00 0.00 C ATOM 891 CG GLU A 58 -0.208 1.969 5.625 1.00 0.00 C ATOM 892 CD GLU A 58 0.136 3.419 5.904 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.645 3.705 7.008 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.103 4.267 5.020 1.00 0.00 O ATOM 0 H GLU A 58 2.841 -0.554 5.324 1.00 0.00 H new ATOM 0 HA GLU A 58 0.329 -0.598 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.798 1.394 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.412 1.325 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.861 1.916 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.767 1.563 6.468 1.00 0.00 H new ATOM 901 N ALA A 59 0.143 -0.660 3.171 1.00 0.00 N ATOM 902 CA ALA A 59 -0.715 -1.040 2.055 1.00 0.00 C ATOM 903 C ALA A 59 -1.157 -2.494 2.173 1.00 0.00 C ATOM 904 O ALA A 59 -2.330 -2.814 1.981 1.00 0.00 O ATOM 905 CB ALA A 59 0.004 -0.810 0.734 1.00 0.00 C ATOM 0 H ALA A 59 1.041 -0.262 2.896 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.606 -0.413 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.648 -1.098 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.264 0.244 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.913 -1.411 0.705 1.00 0.00 H new ATOM 911 N TYR A 60 -0.211 -3.371 2.489 1.00 0.00 N ATOM 912 CA TYR A 60 -0.502 -4.793 2.630 1.00 0.00 C ATOM 913 C TYR A 60 -1.677 -5.017 3.577 1.00 0.00 C ATOM 914 O TYR A 60 -2.513 -5.891 3.350 1.00 0.00 O ATOM 915 CB TYR A 60 0.730 -5.540 3.142 1.00 0.00 C ATOM 916 CG TYR A 60 0.401 -6.821 3.874 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.451 -7.765 3.314 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.941 -7.088 5.126 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.755 -8.937 3.980 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.644 -8.257 5.798 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.205 -9.179 5.221 1.00 0.00 C ATOM 922 OH TYR A 60 -0.505 -10.344 5.888 1.00 0.00 O ATOM 0 H TYR A 60 0.765 -3.122 2.653 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.771 -5.182 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.381 -5.770 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.291 -4.885 3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.883 -7.580 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.605 -6.368 5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.420 -9.660 3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.074 -8.449 6.770 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.035 -10.359 6.748 1.00 0.00 H new ATOM 932 N GLU A 61 -1.732 -4.220 4.640 1.00 0.00 N ATOM 933 CA GLU A 61 -2.804 -4.332 5.622 1.00 0.00 C ATOM 934 C GLU A 61 -4.070 -3.638 5.127 1.00 0.00 C ATOM 935 O GLU A 61 -5.162 -4.204 5.180 1.00 0.00 O ATOM 936 CB GLU A 61 -2.366 -3.726 6.958 1.00 0.00 C ATOM 937 CG GLU A 61 -1.085 -4.330 7.509 1.00 0.00 C ATOM 938 CD GLU A 61 -1.279 -5.746 8.017 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.907 -6.552 7.299 1.00 0.00 O ATOM 940 OE2 GLU A 61 -0.802 -6.047 9.131 1.00 0.00 O ATOM 0 H GLU A 61 -1.048 -3.491 4.843 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.023 -5.390 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.227 -2.652 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.164 -3.861 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.323 -4.329 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.713 -3.705 8.320 1.00 0.00 H new ATOM 947 N VAL A 62 -3.915 -2.408 4.647 1.00 0.00 N ATOM 948 CA VAL A 62 -5.044 -1.637 4.142 1.00 0.00 C ATOM 949 C VAL A 62 -5.961 -2.502 3.284 1.00 0.00 C ATOM 950 O VAL A 62 -7.186 -2.402 3.369 1.00 0.00 O ATOM 951 CB VAL A 62 -4.572 -0.428 3.312 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.761 0.301 2.706 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.739 0.513 4.169 1.00 0.00 C ATOM 0 H VAL A 62 -3.018 -1.924 4.597 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.596 -1.279 5.011 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.946 -0.791 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.408 1.152 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.313 -0.379 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.416 0.654 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.414 1.361 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.339 0.871 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.866 -0.018 4.549 1.00 0.00 H new ATOM 963 N LEU A 63 -5.361 -3.351 2.457 1.00 0.00 N ATOM 964 CA LEU A 63 -6.123 -4.235 1.583 1.00 0.00 C ATOM 965 C LEU A 63 -6.446 -5.550 2.285 1.00 0.00 C ATOM 966 O LEU A 63 -7.581 -6.024 2.247 1.00 0.00 O ATOM 967 CB LEU A 63 -5.342 -4.509 0.296 1.00 0.00 C ATOM 968 CG LEU A 63 -4.886 -3.278 -0.487 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.953 -3.681 -1.619 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.086 -2.515 -1.029 1.00 0.00 C ATOM 0 H LEU A 63 -4.349 -3.446 2.374 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.061 -3.738 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.462 -5.101 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.962 -5.122 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.340 -2.622 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.639 -2.792 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.077 -4.183 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.474 -4.358 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.742 -1.642 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.660 -3.163 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.717 -2.193 -0.201 1.00 0.00 H new ATOM 982 N SER A 64 -5.440 -6.134 2.929 1.00 0.00 N ATOM 983 CA SER A 64 -5.616 -7.395 3.639 1.00 0.00 C ATOM 984 C SER A 64 -6.882 -7.366 4.491 1.00 0.00 C ATOM 985 O SER A 64 -7.610 -8.355 4.573 1.00 0.00 O ATOM 986 CB SER A 64 -4.400 -7.681 4.522 1.00 0.00 C ATOM 987 OG SER A 64 -4.569 -8.888 5.247 1.00 0.00 O ATOM 0 H SER A 64 -4.495 -5.754 2.973 1.00 0.00 H new ATOM 0 HA SER A 64 -5.714 -8.190 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.505 -7.747 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.248 -6.854 5.216 1.00 0.00 H new ATOM 0 HG SER A 64 -3.778 -9.049 5.803 1.00 0.00 H new ATOM 993 N ASP A 65 -7.136 -6.226 5.123 1.00 0.00 N ATOM 994 CA ASP A 65 -8.314 -6.067 5.968 1.00 0.00 C ATOM 995 C ASP A 65 -9.570 -5.883 5.121 1.00 0.00 C ATOM 996 O ASP A 65 -9.490 -5.549 3.939 1.00 0.00 O ATOM 997 CB ASP A 65 -8.137 -4.871 6.906 1.00 0.00 C ATOM 998 CG ASP A 65 -8.878 -5.049 8.217 1.00 0.00 C ATOM 999 OD1 ASP A 65 -10.123 -4.956 8.212 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.212 -5.281 9.248 1.00 0.00 O ATOM 0 H ASP A 65 -6.542 -5.398 5.066 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.429 -6.973 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.076 -4.726 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.493 -3.968 6.410 1.00 0.00 H new ATOM 1005 N SER A 66 -10.728 -6.106 5.734 1.00 0.00 N ATOM 1006 CA SER A 66 -12.001 -5.970 5.035 1.00 0.00 C ATOM 1007 C SER A 66 -12.581 -4.573 5.230 1.00 0.00 C ATOM 1008 O SER A 66 -13.113 -3.972 4.296 1.00 0.00 O ATOM 1009 CB SER A 66 -12.994 -7.022 5.532 1.00 0.00 C ATOM 1010 OG SER A 66 -13.457 -6.711 6.835 1.00 0.00 O ATOM 0 H SER A 66 -10.811 -6.381 6.713 1.00 0.00 H new ATOM 0 HA SER A 66 -11.822 -6.124 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.840 -7.081 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.518 -8.003 5.536 1.00 0.00 H new ATOM 0 HG SER A 66 -14.092 -7.397 7.129 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.476 -4.061 6.452 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.988 -2.734 6.773 1.00 0.00 C ATOM 1018 C LYS A 67 -12.157 -1.650 6.093 1.00 0.00 C ATOM 1019 O LYS A 67 -12.691 -0.643 5.629 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.987 -2.517 8.287 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.602 -2.291 8.869 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.235 -0.816 8.877 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.823 -0.102 10.085 1.00 0.00 C ATOM 1024 NZ LYS A 67 -11.167 -0.525 11.353 1.00 0.00 N ATOM 0 H LYS A 67 -12.041 -4.546 7.237 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.011 -2.668 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.615 -1.658 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.438 -3.384 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.565 -2.682 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.867 -2.847 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.150 -0.710 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.597 -0.345 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.711 0.975 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.892 -0.307 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.349 0.184 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.551 -1.444 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.142 -0.612 11.201 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.847 -1.865 6.035 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.941 -0.909 5.410 1.00 0.00 C ATOM 1040 C LYS A 68 -10.056 -0.965 3.890 1.00 0.00 C ATOM 1041 O LYS A 68 -10.176 0.066 3.229 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.498 -1.190 5.834 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.263 -1.045 7.328 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.784 -1.111 7.669 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.077 0.195 7.341 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.739 0.279 7.991 1.00 0.00 N ATOM 0 H LYS A 68 -10.389 -2.694 6.414 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.222 0.091 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.229 -2.201 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.833 -0.509 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.674 -0.096 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.795 -1.834 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.664 -1.335 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.318 -1.927 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.962 0.285 6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.693 1.033 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.289 1.183 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.850 0.219 9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.143 -0.506 7.661 1.00 0.00 H new ATOM 1060 N ARG A 69 -10.018 -2.176 3.343 1.00 0.00 N ATOM 1061 CA ARG A 69 -10.118 -2.366 1.901 1.00 0.00 C ATOM 1062 C ARG A 69 -11.417 -1.771 1.363 1.00 0.00 C ATOM 1063 O ARG A 69 -11.422 -1.095 0.334 1.00 0.00 O ATOM 1064 CB ARG A 69 -10.045 -3.854 1.554 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.071 -4.134 0.061 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.655 -5.564 -0.246 1.00 0.00 C ATOM 1067 NE ARG A 69 -9.020 -5.680 -1.556 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.930 -6.822 -2.230 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.431 -7.938 -1.719 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.338 -6.847 -3.417 1.00 0.00 N ATOM 0 H ARG A 69 -9.919 -3.040 3.877 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.280 -1.849 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.132 -4.273 1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.881 -4.370 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.074 -3.955 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.403 -3.442 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.966 -5.914 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.531 -6.212 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.624 -4.839 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.887 -7.921 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.361 -8.813 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.952 -5.990 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.269 -7.723 -3.934 1.00 0.00 H new ATOM 1084 N SER A 70 -12.515 -2.029 2.065 1.00 0.00 N ATOM 1085 CA SER A 70 -13.820 -1.523 1.656 1.00 0.00 C ATOM 1086 C SER A 70 -13.859 0.001 1.726 1.00 0.00 C ATOM 1087 O SER A 70 -14.279 0.667 0.778 1.00 0.00 O ATOM 1088 CB SER A 70 -14.920 -2.113 2.542 1.00 0.00 C ATOM 1089 OG SER A 70 -15.417 -3.324 1.999 1.00 0.00 O ATOM 0 H SER A 70 -12.527 -2.585 2.920 1.00 0.00 H new ATOM 0 HA SER A 70 -13.992 -1.827 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.528 -2.293 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.734 -1.395 2.643 1.00 0.00 H new ATOM 0 HG SER A 70 -16.117 -3.682 2.584 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.417 0.546 2.853 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.400 1.992 3.048 1.00 0.00 C ATOM 1097 C LEU A 71 -12.561 2.676 1.975 1.00 0.00 C ATOM 1098 O LEU A 71 -12.978 3.676 1.389 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.852 2.333 4.435 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.861 2.296 5.583 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -13.153 2.068 6.910 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.670 3.584 5.624 1.00 0.00 C ATOM 0 H LEU A 71 -13.066 0.009 3.646 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.424 2.357 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.044 1.638 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.413 3.330 4.395 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.545 1.465 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.888 2.045 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.619 1.119 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.445 2.877 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.383 3.540 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.999 4.431 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.208 3.706 4.684 1.00 0.00 H new ATOM 1114 N TYR A 72 -11.376 2.131 1.720 1.00 0.00 N ATOM 1115 CA TYR A 72 -10.478 2.689 0.717 1.00 0.00 C ATOM 1116 C TYR A 72 -11.235 3.035 -0.561 1.00 0.00 C ATOM 1117 O TYR A 72 -11.220 4.180 -1.014 1.00 0.00 O ATOM 1118 CB TYR A 72 -9.353 1.701 0.404 1.00 0.00 C ATOM 1119 CG TYR A 72 -8.343 2.229 -0.590 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -7.691 3.437 -0.374 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -8.039 1.518 -1.745 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.768 3.923 -1.279 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -7.116 1.996 -2.655 1.00 0.00 C ATOM 1124 CZ TYR A 72 -6.484 3.199 -2.419 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.564 3.679 -3.323 1.00 0.00 O ATOM 0 H TYR A 72 -11.016 1.303 2.195 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.047 3.605 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.839 1.444 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.787 0.780 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.910 4.006 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.533 0.576 -1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.271 4.864 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.890 1.430 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.479 3.049 -4.069 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.898 2.038 -1.137 1.00 0.00 N ATOM 1136 CA ASP A 73 -12.664 2.236 -2.362 1.00 0.00 C ATOM 1137 C ASP A 73 -13.652 3.388 -2.205 1.00 0.00 C ATOM 1138 O ASP A 73 -13.688 4.304 -3.027 1.00 0.00 O ATOM 1139 CB ASP A 73 -13.412 0.955 -2.733 1.00 0.00 C ATOM 1140 CG ASP A 73 -14.139 1.072 -4.058 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -13.465 1.278 -5.089 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -15.382 0.958 -4.065 1.00 0.00 O ATOM 0 H ASP A 73 -11.920 1.085 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.966 2.485 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.706 0.126 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.130 0.716 -1.948 1.00 0.00 H new ATOM 1147 N ARG A 74 -14.451 3.336 -1.145 1.00 0.00 N ATOM 1148 CA ARG A 74 -15.441 4.374 -0.882 1.00 0.00 C ATOM 1149 C ARG A 74 -14.839 5.762 -1.082 1.00 0.00 C ATOM 1150 O ARG A 74 -15.382 6.584 -1.820 1.00 0.00 O ATOM 1151 CB ARG A 74 -15.983 4.242 0.543 1.00 0.00 C ATOM 1152 CG ARG A 74 -16.621 2.893 0.829 1.00 0.00 C ATOM 1153 CD ARG A 74 -17.708 3.004 1.887 1.00 0.00 C ATOM 1154 NE ARG A 74 -18.791 3.890 1.467 1.00 0.00 N ATOM 1155 CZ ARG A 74 -20.027 3.818 1.949 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -20.335 2.907 2.861 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -20.958 4.659 1.517 1.00 0.00 N ATOM 0 H ARG A 74 -14.433 2.586 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.261 4.247 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.169 4.406 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.719 5.027 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.046 2.488 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.857 2.191 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -18.111 2.014 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.274 3.376 2.815 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.587 4.602 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.622 2.258 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.285 2.855 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.725 5.361 0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.907 4.603 1.887 1.00 0.00 H new ATOM 1171 N ALA A 75 -13.715 6.015 -0.420 1.00 0.00 N ATOM 1172 CA ALA A 75 -13.039 7.302 -0.526 1.00 0.00 C ATOM 1173 C ALA A 75 -13.052 7.812 -1.964 1.00 0.00 C ATOM 1174 O ALA A 75 -13.334 8.983 -2.215 1.00 0.00 O ATOM 1175 CB ALA A 75 -11.610 7.191 -0.017 1.00 0.00 C ATOM 0 H ALA A 75 -13.253 5.345 0.196 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.578 8.020 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.117 8.159 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.619 6.879 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.068 6.455 -0.611 1.00 0.00 H new ATOM 1181 N GLY A 76 -12.745 6.924 -2.905 1.00 0.00 N ATOM 1182 CA GLY A 76 -12.726 7.304 -4.305 1.00 0.00 C ATOM 1183 C GLY A 76 -12.185 6.204 -5.197 1.00 0.00 C ATOM 1184 O GLY A 76 -12.399 5.020 -4.933 1.00 0.00 O ATOM 0 H GLY A 76 -12.509 5.949 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.737 7.561 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.116 8.199 -4.427 1.00 0.00 H new ATOM 1188 N CYS A 77 -11.485 6.594 -6.256 1.00 0.00 N ATOM 1189 CA CYS A 77 -10.914 5.632 -7.192 1.00 0.00 C ATOM 1190 C CYS A 77 -11.994 4.716 -7.757 1.00 0.00 C ATOM 1191 O CYS A 77 -11.793 3.508 -7.886 1.00 0.00 O ATOM 1192 CB CYS A 77 -9.832 4.799 -6.502 1.00 0.00 C ATOM 1193 SG CYS A 77 -8.461 5.774 -5.839 1.00 0.00 S ATOM 0 H CYS A 77 -11.299 7.570 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.466 6.187 -8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.287 4.233 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.437 4.074 -7.214 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.599 4.982 -5.273 1.00 0.00 H new ATOM 1199 N ASP A 78 -13.140 5.298 -8.091 1.00 0.00 N ATOM 1200 CA ASP A 78 -14.254 4.535 -8.642 1.00 0.00 C ATOM 1201 C ASP A 78 -14.565 4.980 -10.068 1.00 0.00 C ATOM 1202 O ASP A 78 -14.316 6.127 -10.439 1.00 0.00 O ATOM 1203 CB ASP A 78 -15.495 4.695 -7.763 1.00 0.00 C ATOM 1204 CG ASP A 78 -15.255 4.245 -6.336 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -14.553 3.230 -6.144 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -15.769 4.907 -5.410 1.00 0.00 O ATOM 0 H ASP A 78 -13.322 6.296 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.966 3.484 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.805 5.740 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.316 4.118 -8.190 1.00 0.00 H new ATOM 1211 N SER A 79 -15.108 4.063 -10.863 1.00 0.00 N ATOM 1212 CA SER A 79 -15.449 4.360 -12.250 1.00 0.00 C ATOM 1213 C SER A 79 -16.251 5.654 -12.348 1.00 0.00 C ATOM 1214 O SER A 79 -15.840 6.603 -13.015 1.00 0.00 O ATOM 1215 CB SER A 79 -16.245 3.205 -12.860 1.00 0.00 C ATOM 1216 OG SER A 79 -15.418 2.075 -13.080 1.00 0.00 O ATOM 0 H SER A 79 -15.321 3.109 -10.571 1.00 0.00 H new ATOM 0 HA SER A 79 -14.521 4.486 -12.807 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.066 2.935 -12.196 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.689 3.524 -13.803 1.00 0.00 H new ATOM 0 HG SER A 79 -15.951 1.350 -13.469 1.00 0.00 H new ATOM 1222 N TRP A 80 -17.398 5.683 -11.679 1.00 0.00 N ATOM 1223 CA TRP A 80 -18.259 6.860 -11.690 1.00 0.00 C ATOM 1224 C TRP A 80 -17.435 8.138 -11.583 1.00 0.00 C ATOM 1225 O TRP A 80 -17.507 9.008 -12.451 1.00 0.00 O ATOM 1226 CB TRP A 80 -19.267 6.790 -10.542 1.00 0.00 C ATOM 1227 CG TRP A 80 -20.531 7.549 -10.814 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -21.563 7.160 -11.618 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -20.893 8.828 -10.283 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -22.546 8.120 -11.619 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -22.160 9.153 -10.807 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -20.272 9.730 -9.414 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -22.813 10.341 -10.491 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -20.922 10.908 -9.101 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -22.182 11.205 -9.637 1.00 0.00 C ATOM 0 H TRP A 80 -17.753 4.905 -11.122 1.00 0.00 H new ATOM 0 HA TRP A 80 -18.798 6.877 -12.637 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -19.513 5.746 -10.347 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -18.804 7.182 -9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -21.601 6.234 -12.172 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -23.421 8.071 -12.140 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -19.301 9.510 -8.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -23.783 10.573 -10.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -20.451 11.612 -8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -22.665 12.134 -9.371 1.00 0.00 H new ATOM 1246 N ARG A 81 -16.654 8.245 -10.513 1.00 0.00 N ATOM 1247 CA ARG A 81 -15.817 9.419 -10.293 1.00 0.00 C ATOM 1248 C ARG A 81 -14.981 9.731 -11.531 1.00 0.00 C ATOM 1249 O ARG A 81 -15.083 10.816 -12.103 1.00 0.00 O ATOM 1250 CB ARG A 81 -14.900 9.199 -9.088 1.00 0.00 C ATOM 1251 CG ARG A 81 -15.650 8.971 -7.786 1.00 0.00 C ATOM 1252 CD ARG A 81 -16.371 10.231 -7.330 1.00 0.00 C ATOM 1253 NE ARG A 81 -17.329 9.958 -6.262 1.00 0.00 N ATOM 1254 CZ ARG A 81 -16.995 9.880 -4.978 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -15.735 10.054 -4.605 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -17.924 9.628 -4.065 1.00 0.00 N ATOM 0 H ARG A 81 -16.583 7.534 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.471 10.268 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.258 8.340 -9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.248 10.065 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.372 8.165 -7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.951 8.651 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.640 10.961 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.891 10.678 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.307 9.820 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.018 10.248 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.482 9.993 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.895 9.494 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.668 9.568 -3.080 1.00 0.00 H new ATOM 1270 N ALA A 82 -14.156 8.773 -11.938 1.00 0.00 N ATOM 1271 CA ALA A 82 -13.304 8.944 -13.108 1.00 0.00 C ATOM 1272 C ALA A 82 -14.135 9.220 -14.357 1.00 0.00 C ATOM 1273 O ALA A 82 -15.127 8.541 -14.616 1.00 0.00 O ATOM 1274 CB ALA A 82 -12.433 7.713 -13.313 1.00 0.00 C ATOM 0 H ALA A 82 -14.059 7.870 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.660 9.806 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.802 7.856 -14.190 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.805 7.562 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.067 6.839 -13.460 1.00 0.00 H new ATOM 1280 N GLY A 83 -13.723 10.223 -15.127 1.00 0.00 N ATOM 1281 CA GLY A 83 -14.442 10.571 -16.338 1.00 0.00 C ATOM 1282 C GLY A 83 -15.183 11.888 -16.215 1.00 0.00 C ATOM 1283 O GLY A 83 -15.108 12.556 -15.185 1.00 0.00 O ATOM 0 H GLY A 83 -12.905 10.800 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.740 10.629 -17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.152 9.779 -16.575 1.00 0.00 H new ATOM 1287 N GLY A 84 -15.900 12.264 -17.270 1.00 0.00 N ATOM 1288 CA GLY A 84 -16.645 13.509 -17.255 1.00 0.00 C ATOM 1289 C GLY A 84 -16.336 14.384 -18.453 1.00 0.00 C ATOM 1290 O GLY A 84 -15.972 13.885 -19.518 1.00 0.00 O ATOM 0 H GLY A 84 -15.978 11.728 -18.135 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.713 13.290 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.415 14.056 -16.341 1.00 0.00 H new ATOM 1294 N GLY A 85 -16.482 15.694 -18.281 1.00 0.00 N ATOM 1295 CA GLY A 85 -16.213 16.620 -19.366 1.00 0.00 C ATOM 1296 C GLY A 85 -15.708 17.961 -18.873 1.00 0.00 C ATOM 1297 O GLY A 85 -14.502 18.205 -18.842 1.00 0.00 O ATOM 0 H GLY A 85 -16.782 16.131 -17.409 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.475 16.182 -20.038 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.124 16.769 -19.946 1.00 0.00 H new ATOM 1301 N ALA A 86 -16.633 18.834 -18.487 1.00 0.00 N ATOM 1302 CA ALA A 86 -16.275 20.157 -17.992 1.00 0.00 C ATOM 1303 C ALA A 86 -15.293 20.062 -16.829 1.00 0.00 C ATOM 1304 O ALA A 86 -14.241 20.700 -16.838 1.00 0.00 O ATOM 1305 CB ALA A 86 -17.523 20.919 -17.571 1.00 0.00 C ATOM 0 H ALA A 86 -17.636 18.648 -18.508 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.787 20.700 -18.801 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -17.240 21.905 -17.203 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.189 21.028 -18.427 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -18.035 20.370 -16.781 1.00 0.00 H new ATOM 1311 N SER A 87 -15.645 19.261 -15.828 1.00 0.00 N ATOM 1312 CA SER A 87 -14.797 19.086 -14.655 1.00 0.00 C ATOM 1313 C SER A 87 -13.446 18.496 -15.045 1.00 0.00 C ATOM 1314 O SER A 87 -13.344 17.726 -15.999 1.00 0.00 O ATOM 1315 CB SER A 87 -15.486 18.179 -13.633 1.00 0.00 C ATOM 1316 OG SER A 87 -16.773 18.672 -13.299 1.00 0.00 O ATOM 0 H SER A 87 -16.511 18.723 -15.806 1.00 0.00 H new ATOM 0 HA SER A 87 -14.631 20.066 -14.208 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.573 17.171 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.875 18.110 -12.733 1.00 0.00 H new ATOM 0 HG SER A 87 -17.193 18.074 -12.646 1.00 0.00 H new ATOM 1322 N GLY A 88 -12.409 18.863 -14.298 1.00 0.00 N ATOM 1323 CA GLY A 88 -11.076 18.362 -14.581 1.00 0.00 C ATOM 1324 C GLY A 88 -10.083 18.710 -13.490 1.00 0.00 C ATOM 1325 O GLY A 88 -10.017 18.055 -12.449 1.00 0.00 O ATOM 0 H GLY A 88 -12.468 19.498 -13.502 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.116 17.279 -14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.730 18.774 -15.529 1.00 0.00 H new ATOM 1329 N PRO A 89 -9.286 19.763 -13.723 1.00 0.00 N ATOM 1330 CA PRO A 89 -8.275 20.219 -12.764 1.00 0.00 C ATOM 1331 C PRO A 89 -8.898 20.842 -11.519 1.00 0.00 C ATOM 1332 O PRO A 89 -10.119 20.949 -11.411 1.00 0.00 O ATOM 1333 CB PRO A 89 -7.488 21.270 -13.551 1.00 0.00 C ATOM 1334 CG PRO A 89 -8.443 21.764 -14.582 1.00 0.00 C ATOM 1335 CD PRO A 89 -9.310 20.590 -14.941 1.00 0.00 C ATOM 0 HA PRO A 89 -7.662 19.396 -12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.151 22.079 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.599 20.837 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.043 22.588 -14.195 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.913 22.139 -15.457 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.323 20.902 -15.195 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.917 20.049 -15.802 1.00 0.00 H new ATOM 1343 N SER A 90 -8.050 21.251 -10.581 1.00 0.00 N ATOM 1344 CA SER A 90 -8.517 21.860 -9.341 1.00 0.00 C ATOM 1345 C SER A 90 -8.003 23.291 -9.211 1.00 0.00 C ATOM 1346 O SER A 90 -6.803 23.543 -9.323 1.00 0.00 O ATOM 1347 CB SER A 90 -8.063 21.031 -8.138 1.00 0.00 C ATOM 1348 OG SER A 90 -6.694 21.257 -7.851 1.00 0.00 O ATOM 0 H SER A 90 -7.036 21.172 -10.656 1.00 0.00 H new ATOM 0 HA SER A 90 -9.606 21.885 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.667 21.286 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.226 19.972 -8.340 1.00 0.00 H new ATOM 0 HG SER A 90 -6.389 22.061 -8.322 1.00 0.00 H new ATOM 1354 N SER A 91 -8.920 24.223 -8.975 1.00 0.00 N ATOM 1355 CA SER A 91 -8.561 25.629 -8.833 1.00 0.00 C ATOM 1356 C SER A 91 -7.400 25.798 -7.858 1.00 0.00 C ATOM 1357 O SER A 91 -6.376 26.394 -8.192 1.00 0.00 O ATOM 1358 CB SER A 91 -9.767 26.439 -8.353 1.00 0.00 C ATOM 1359 OG SER A 91 -10.853 26.320 -9.255 1.00 0.00 O ATOM 0 H SER A 91 -9.917 24.030 -8.878 1.00 0.00 H new ATOM 0 HA SER A 91 -8.249 25.999 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.071 26.093 -7.365 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.488 27.488 -8.252 1.00 0.00 H new ATOM 0 HG SER A 91 -11.612 26.845 -8.925 1.00 0.00 H new ATOM 1365 N GLY A 92 -7.567 25.269 -6.650 1.00 0.00 N ATOM 1366 CA GLY A 92 -6.526 25.371 -5.644 1.00 0.00 C ATOM 1367 C GLY A 92 -7.078 25.336 -4.233 1.00 0.00 C ATOM 1368 O GLY A 92 -6.446 24.796 -3.325 1.00 0.00 O ATOM 0 H GLY A 92 -8.405 24.771 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.818 24.553 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.972 26.298 -5.791 1.00 0.00 H new TER 1372 GLY A 92