USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 146:sc= 0.0763 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -69:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 36 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-8.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.756 K(o=-0.76,f=-2) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 150:sc= -0.322 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 0.362 USER MOD Single : A 61 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.93! C(o=-5.9!,f=-8.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 70 GLN : amide:sc= -0.657 K(o=-0.66,f=-1.4) USER MOD Single : A 73 SER OG : rot -176:sc= 0.14 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.768 -4.706 13.108 1.00 0.00 N ATOM 2 CA GLY A 1 13.861 -5.391 12.206 1.00 0.00 C ATOM 3 C GLY A 1 12.413 -5.005 12.436 1.00 0.00 C ATOM 4 O GLY A 1 11.736 -5.585 13.285 1.00 0.00 O ATOM 0 H1 GLY A 1 15.745 -5.004 12.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.685 -3.679 12.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.526 -4.944 14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.136 -5.162 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.971 -6.468 12.333 1.00 0.00 H new ATOM 8 N SER A 2 11.937 -4.022 11.679 1.00 0.00 N ATOM 9 CA SER A 2 10.562 -3.555 11.808 1.00 0.00 C ATOM 10 C SER A 2 9.584 -4.585 11.252 1.00 0.00 C ATOM 11 O SER A 2 9.806 -5.155 10.184 1.00 0.00 O ATOM 12 CB SER A 2 10.383 -2.221 11.081 1.00 0.00 C ATOM 13 OG SER A 2 9.167 -1.595 11.453 1.00 0.00 O ATOM 0 H SER A 2 12.483 -3.533 10.970 1.00 0.00 H new ATOM 0 HA SER A 2 10.351 -3.414 12.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.220 -1.562 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.396 -2.386 10.004 1.00 0.00 H new ATOM 0 HG SER A 2 9.078 -0.744 10.976 1.00 0.00 H new ATOM 19 N SER A 3 8.500 -4.818 11.986 1.00 0.00 N ATOM 20 CA SER A 3 7.488 -5.782 11.569 1.00 0.00 C ATOM 21 C SER A 3 6.304 -5.079 10.913 1.00 0.00 C ATOM 22 O SER A 3 6.238 -3.851 10.880 1.00 0.00 O ATOM 23 CB SER A 3 7.009 -6.601 12.769 1.00 0.00 C ATOM 24 OG SER A 3 8.062 -7.380 13.309 1.00 0.00 O ATOM 0 H SER A 3 8.300 -4.353 12.872 1.00 0.00 H new ATOM 0 HA SER A 3 7.940 -6.452 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.617 -5.933 13.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.190 -7.253 12.465 1.00 0.00 H new ATOM 0 HG SER A 3 7.730 -7.892 14.076 1.00 0.00 H new ATOM 30 N GLY A 4 5.369 -5.867 10.392 1.00 0.00 N ATOM 31 CA GLY A 4 4.200 -5.303 9.744 1.00 0.00 C ATOM 32 C GLY A 4 4.506 -4.767 8.360 1.00 0.00 C ATOM 33 O GLY A 4 4.196 -3.616 8.050 1.00 0.00 O ATOM 0 H GLY A 4 5.400 -6.886 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.425 -6.066 9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.799 -4.499 10.361 1.00 0.00 H new ATOM 37 N SER A 5 5.118 -5.601 7.526 1.00 0.00 N ATOM 38 CA SER A 5 5.472 -5.202 6.168 1.00 0.00 C ATOM 39 C SER A 5 4.433 -5.698 5.168 1.00 0.00 C ATOM 40 O SER A 5 3.996 -4.954 4.289 1.00 0.00 O ATOM 41 CB SER A 5 6.853 -5.746 5.798 1.00 0.00 C ATOM 42 OG SER A 5 7.854 -5.219 6.652 1.00 0.00 O ATOM 0 H SER A 5 5.379 -6.557 7.766 1.00 0.00 H new ATOM 0 HA SER A 5 5.496 -4.113 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.849 -6.834 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.082 -5.492 4.763 1.00 0.00 H new ATOM 0 HG SER A 5 8.727 -5.583 6.396 1.00 0.00 H new ATOM 48 N SER A 6 4.040 -6.960 5.308 1.00 0.00 N ATOM 49 CA SER A 6 3.055 -7.558 4.415 1.00 0.00 C ATOM 50 C SER A 6 1.770 -7.889 5.168 1.00 0.00 C ATOM 51 O SER A 6 1.780 -8.079 6.383 1.00 0.00 O ATOM 52 CB SER A 6 3.622 -8.824 3.770 1.00 0.00 C ATOM 53 OG SER A 6 4.728 -8.521 2.938 1.00 0.00 O ATOM 0 H SER A 6 4.389 -7.588 6.032 1.00 0.00 H new ATOM 0 HA SER A 6 2.822 -6.834 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.928 -9.525 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.846 -9.316 3.184 1.00 0.00 H new ATOM 0 HG SER A 6 5.073 -9.347 2.539 1.00 0.00 H new ATOM 59 N GLY A 7 0.662 -7.957 4.435 1.00 0.00 N ATOM 60 CA GLY A 7 -0.616 -8.264 5.049 1.00 0.00 C ATOM 61 C GLY A 7 -1.751 -7.446 4.466 1.00 0.00 C ATOM 62 O GLY A 7 -2.075 -7.574 3.285 1.00 0.00 O ATOM 0 H GLY A 7 0.627 -7.805 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.833 -9.324 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.554 -8.080 6.122 1.00 0.00 H new ATOM 66 N ASP A 8 -2.358 -6.604 5.295 1.00 0.00 N ATOM 67 CA ASP A 8 -3.464 -5.762 4.855 1.00 0.00 C ATOM 68 C ASP A 8 -2.950 -4.534 4.110 1.00 0.00 C ATOM 69 O ASP A 8 -2.044 -3.845 4.579 1.00 0.00 O ATOM 70 CB ASP A 8 -4.311 -5.329 6.053 1.00 0.00 C ATOM 71 CG ASP A 8 -5.150 -6.463 6.609 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.594 -7.560 6.828 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.361 -6.254 6.826 1.00 0.00 O ATOM 0 H ASP A 8 -2.103 -6.486 6.276 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.083 -6.345 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.657 -4.946 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.965 -4.510 5.755 1.00 0.00 H new ATOM 78 N TYR A 9 -3.533 -4.267 2.947 1.00 0.00 N ATOM 79 CA TYR A 9 -3.131 -3.124 2.135 1.00 0.00 C ATOM 80 C TYR A 9 -2.997 -1.868 2.991 1.00 0.00 C ATOM 81 O TYR A 9 -1.957 -1.210 2.988 1.00 0.00 O ATOM 82 CB TYR A 9 -4.145 -2.886 1.015 1.00 0.00 C ATOM 83 CG TYR A 9 -4.305 -4.065 0.082 1.00 0.00 C ATOM 84 CD1 TYR A 9 -3.196 -4.683 -0.485 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.564 -4.561 -0.234 1.00 0.00 C ATOM 86 CE1 TYR A 9 -3.338 -5.760 -1.338 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.714 -5.638 -1.086 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.598 -6.234 -1.635 1.00 0.00 C ATOM 89 OH TYR A 9 -4.744 -7.306 -2.485 1.00 0.00 O ATOM 0 H TYR A 9 -4.285 -4.826 2.545 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.159 -3.347 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.113 -2.649 1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.837 -2.015 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.207 -4.315 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.440 -4.097 0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.466 -6.229 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.700 -6.011 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.696 -7.515 -2.588 1.00 0.00 H new ATOM 99 N TYR A 10 -4.056 -1.544 3.723 1.00 0.00 N ATOM 100 CA TYR A 10 -4.059 -0.366 4.583 1.00 0.00 C ATOM 101 C TYR A 10 -2.837 -0.355 5.495 1.00 0.00 C ATOM 102 O TYR A 10 -2.192 0.678 5.674 1.00 0.00 O ATOM 103 CB TYR A 10 -5.337 -0.325 5.423 1.00 0.00 C ATOM 104 CG TYR A 10 -6.563 0.089 4.640 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.599 1.297 3.955 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.685 -0.729 4.585 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.717 1.680 3.240 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.807 -0.355 3.871 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.819 0.850 3.201 1.00 0.00 C ATOM 110 OH TYR A 10 -9.934 1.227 2.488 1.00 0.00 O ATOM 0 H TYR A 10 -4.924 -2.080 3.739 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.023 0.518 3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.509 -1.310 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.195 0.368 6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.738 1.948 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.680 -1.673 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.729 2.623 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.670 -1.003 3.838 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.620 0.531 2.561 1.00 0.00 H new ATOM 120 N GLU A 11 -2.525 -1.513 6.070 1.00 0.00 N ATOM 121 CA GLU A 11 -1.380 -1.636 6.965 1.00 0.00 C ATOM 122 C GLU A 11 -0.073 -1.420 6.208 1.00 0.00 C ATOM 123 O GLU A 11 0.718 -0.541 6.553 1.00 0.00 O ATOM 124 CB GLU A 11 -1.373 -3.013 7.633 1.00 0.00 C ATOM 125 CG GLU A 11 -2.380 -3.146 8.762 1.00 0.00 C ATOM 126 CD GLU A 11 -2.079 -4.317 9.677 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.906 -4.743 9.728 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.015 -4.808 10.342 1.00 0.00 O ATOM 0 H GLU A 11 -3.048 -2.378 5.932 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.467 -0.867 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.581 -3.774 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.375 -3.214 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.389 -2.226 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.378 -3.266 8.341 1.00 0.00 H new ATOM 135 N ILE A 12 0.148 -2.227 5.176 1.00 0.00 N ATOM 136 CA ILE A 12 1.358 -2.123 4.371 1.00 0.00 C ATOM 137 C ILE A 12 1.761 -0.666 4.168 1.00 0.00 C ATOM 138 O ILE A 12 2.939 -0.318 4.257 1.00 0.00 O ATOM 139 CB ILE A 12 1.177 -2.790 2.994 1.00 0.00 C ATOM 140 CG1 ILE A 12 0.955 -4.295 3.157 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.387 -2.520 2.112 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.571 -4.992 1.871 1.00 0.00 C ATOM 0 H ILE A 12 -0.495 -2.960 4.878 1.00 0.00 H new ATOM 0 HA ILE A 12 2.145 -2.642 4.917 1.00 0.00 H new ATOM 0 HB ILE A 12 0.298 -2.362 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.866 -4.748 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.173 -4.461 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.244 -2.998 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.504 -1.445 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.281 -2.924 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.430 -6.056 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.357 -4.566 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.363 -4.858 1.134 1.00 0.00 H new ATOM 154 N LEU A 13 0.775 0.182 3.898 1.00 0.00 N ATOM 155 CA LEU A 13 1.026 1.603 3.685 1.00 0.00 C ATOM 156 C LEU A 13 1.120 2.345 5.015 1.00 0.00 C ATOM 157 O LEU A 13 1.978 3.207 5.197 1.00 0.00 O ATOM 158 CB LEU A 13 -0.082 2.213 2.825 1.00 0.00 C ATOM 159 CG LEU A 13 -0.255 1.614 1.429 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.619 1.972 0.859 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.854 2.092 0.503 1.00 0.00 C ATOM 0 H LEU A 13 -0.205 -0.089 3.821 1.00 0.00 H new ATOM 0 HA LEU A 13 1.979 1.705 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.026 2.114 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.114 3.280 2.719 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.192 0.529 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.724 1.537 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.400 1.580 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.712 3.056 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.715 1.656 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.822 3.179 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.820 1.784 0.903 1.00 0.00 H new ATOM 173 N GLY A 14 0.231 2.002 5.942 1.00 0.00 N ATOM 174 CA GLY A 14 0.232 2.643 7.244 1.00 0.00 C ATOM 175 C GLY A 14 -0.897 3.641 7.400 1.00 0.00 C ATOM 176 O GLY A 14 -0.669 4.799 7.752 1.00 0.00 O ATOM 0 H GLY A 14 -0.490 1.292 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.150 1.882 8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.185 3.151 7.395 1.00 0.00 H new ATOM 180 N VAL A 15 -2.121 3.194 7.136 1.00 0.00 N ATOM 181 CA VAL A 15 -3.291 4.056 7.248 1.00 0.00 C ATOM 182 C VAL A 15 -4.494 3.285 7.778 1.00 0.00 C ATOM 183 O VAL A 15 -4.445 2.063 7.925 1.00 0.00 O ATOM 184 CB VAL A 15 -3.656 4.686 5.890 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.522 5.566 5.387 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.994 3.604 4.875 1.00 0.00 C ATOM 0 H VAL A 15 -2.328 2.239 6.843 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.034 4.849 7.951 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.537 5.313 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.798 6.002 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.333 6.363 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.621 4.965 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.249 4.066 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.133 2.949 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.842 3.021 5.234 1.00 0.00 H new ATOM 196 N SER A 16 -5.574 4.005 8.063 1.00 0.00 N ATOM 197 CA SER A 16 -6.790 3.389 8.580 1.00 0.00 C ATOM 198 C SER A 16 -7.641 2.830 7.444 1.00 0.00 C ATOM 199 O SER A 16 -7.377 3.090 6.270 1.00 0.00 O ATOM 200 CB SER A 16 -7.599 4.406 9.387 1.00 0.00 C ATOM 201 OG SER A 16 -7.047 4.587 10.679 1.00 0.00 O ATOM 0 H SER A 16 -5.632 5.016 7.944 1.00 0.00 H new ATOM 0 HA SER A 16 -6.501 2.565 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.619 5.360 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.632 4.068 9.473 1.00 0.00 H new ATOM 0 HG SER A 16 -7.581 5.243 11.174 1.00 0.00 H new ATOM 207 N ARG A 17 -8.665 2.062 7.802 1.00 0.00 N ATOM 208 CA ARG A 17 -9.555 1.465 6.814 1.00 0.00 C ATOM 209 C ARG A 17 -10.612 2.468 6.359 1.00 0.00 C ATOM 210 O ARG A 17 -11.601 2.700 7.052 1.00 0.00 O ATOM 211 CB ARG A 17 -10.233 0.221 7.392 1.00 0.00 C ATOM 212 CG ARG A 17 -9.269 -0.919 7.678 1.00 0.00 C ATOM 213 CD ARG A 17 -9.990 -2.123 8.265 1.00 0.00 C ATOM 214 NE ARG A 17 -10.213 -1.980 9.701 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.403 -3.007 10.521 1.00 0.00 C ATOM 216 NH1 ARG A 17 -10.394 -4.247 10.050 1.00 0.00 N ATOM 217 NH2 ARG A 17 -10.600 -2.796 11.817 1.00 0.00 N ATOM 0 H ARG A 17 -8.899 1.839 8.769 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.956 1.176 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.746 0.492 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.995 -0.125 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.763 -1.209 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.499 -0.581 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.947 -2.254 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.405 -3.023 8.077 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.223 -1.040 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.241 -4.414 9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.540 -5.034 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.606 -1.844 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.746 -3.586 12.446 1.00 0.00 H new ATOM 231 N GLY A 18 -10.394 3.059 5.188 1.00 0.00 N ATOM 232 CA GLY A 18 -11.335 4.030 4.661 1.00 0.00 C ATOM 233 C GLY A 18 -10.685 5.367 4.365 1.00 0.00 C ATOM 234 O GLY A 18 -11.370 6.378 4.213 1.00 0.00 O ATOM 0 H GLY A 18 -9.583 2.883 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.784 3.638 3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.144 4.174 5.378 1.00 0.00 H new ATOM 238 N ALA A 19 -9.358 5.373 4.286 1.00 0.00 N ATOM 239 CA ALA A 19 -8.615 6.595 4.006 1.00 0.00 C ATOM 240 C ALA A 19 -8.882 7.088 2.588 1.00 0.00 C ATOM 241 O ALA A 19 -9.001 6.292 1.656 1.00 0.00 O ATOM 242 CB ALA A 19 -7.126 6.368 4.217 1.00 0.00 C ATOM 0 H ALA A 19 -8.776 4.545 4.412 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.955 7.364 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.584 7.289 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.946 6.071 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.780 5.580 3.548 1.00 0.00 H new ATOM 248 N SER A 20 -8.976 8.404 2.431 1.00 0.00 N ATOM 249 CA SER A 20 -9.233 9.003 1.127 1.00 0.00 C ATOM 250 C SER A 20 -8.008 8.887 0.225 1.00 0.00 C ATOM 251 O SER A 20 -6.933 8.484 0.669 1.00 0.00 O ATOM 252 CB SER A 20 -9.627 10.473 1.285 1.00 0.00 C ATOM 253 OG SER A 20 -10.388 10.919 0.176 1.00 0.00 O ATOM 0 H SER A 20 -8.878 9.077 3.192 1.00 0.00 H new ATOM 0 HA SER A 20 -10.057 8.462 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.204 10.602 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.730 11.085 1.384 1.00 0.00 H new ATOM 0 HG SER A 20 -10.629 11.861 0.302 1.00 0.00 H new ATOM 259 N ASP A 21 -8.180 9.242 -1.044 1.00 0.00 N ATOM 260 CA ASP A 21 -7.089 9.179 -2.010 1.00 0.00 C ATOM 261 C ASP A 21 -5.824 9.817 -1.443 1.00 0.00 C ATOM 262 O ASP A 21 -4.804 9.150 -1.275 1.00 0.00 O ATOM 263 CB ASP A 21 -7.489 9.879 -3.309 1.00 0.00 C ATOM 264 CG ASP A 21 -6.508 9.616 -4.434 1.00 0.00 C ATOM 265 OD1 ASP A 21 -6.618 8.554 -5.082 1.00 0.00 O ATOM 266 OD2 ASP A 21 -5.630 10.474 -4.668 1.00 0.00 O ATOM 0 H ASP A 21 -9.064 9.576 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.883 8.130 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.481 9.542 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.557 10.953 -3.134 1.00 0.00 H new ATOM 271 N GLU A 22 -5.900 11.112 -1.151 1.00 0.00 N ATOM 272 CA GLU A 22 -4.760 11.839 -0.605 1.00 0.00 C ATOM 273 C GLU A 22 -4.030 11.001 0.441 1.00 0.00 C ATOM 274 O GLU A 22 -2.863 10.650 0.267 1.00 0.00 O ATOM 275 CB GLU A 22 -5.219 13.161 0.013 1.00 0.00 C ATOM 276 CG GLU A 22 -6.454 13.027 0.888 1.00 0.00 C ATOM 277 CD GLU A 22 -7.296 14.289 0.905 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.991 14.552 -0.098 1.00 0.00 O ATOM 279 OE2 GLU A 22 -7.259 15.012 1.923 1.00 0.00 O ATOM 0 H GLU A 22 -6.738 11.678 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.070 12.049 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.406 13.576 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.425 13.874 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.060 12.195 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.149 12.784 1.906 1.00 0.00 H new ATOM 286 N ASP A 23 -4.727 10.685 1.527 1.00 0.00 N ATOM 287 CA ASP A 23 -4.147 9.888 2.602 1.00 0.00 C ATOM 288 C ASP A 23 -3.385 8.692 2.042 1.00 0.00 C ATOM 289 O ASP A 23 -2.220 8.471 2.377 1.00 0.00 O ATOM 290 CB ASP A 23 -5.241 9.409 3.558 1.00 0.00 C ATOM 291 CG ASP A 23 -5.747 10.517 4.460 1.00 0.00 C ATOM 292 OD1 ASP A 23 -4.919 11.142 5.156 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.972 10.761 4.470 1.00 0.00 O ATOM 0 H ASP A 23 -5.694 10.968 1.686 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.446 10.518 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.073 9.006 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.854 8.595 4.170 1.00 0.00 H new ATOM 298 N LEU A 24 -4.049 7.922 1.187 1.00 0.00 N ATOM 299 CA LEU A 24 -3.434 6.746 0.580 1.00 0.00 C ATOM 300 C LEU A 24 -2.187 7.130 -0.210 1.00 0.00 C ATOM 301 O LEU A 24 -1.198 6.396 -0.226 1.00 0.00 O ATOM 302 CB LEU A 24 -4.435 6.039 -0.337 1.00 0.00 C ATOM 303 CG LEU A 24 -5.704 5.512 0.334 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.805 5.308 -0.694 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.416 4.215 1.076 1.00 0.00 C ATOM 0 H LEU A 24 -5.013 8.090 0.898 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.140 6.066 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.726 6.732 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.928 5.202 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.044 6.253 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.700 4.933 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.030 6.258 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.475 4.587 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.330 3.855 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.051 3.467 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.660 4.393 1.841 1.00 0.00 H new ATOM 317 N LYS A 25 -2.240 8.286 -0.863 1.00 0.00 N ATOM 318 CA LYS A 25 -1.114 8.771 -1.653 1.00 0.00 C ATOM 319 C LYS A 25 0.026 9.231 -0.750 1.00 0.00 C ATOM 320 O LYS A 25 1.073 8.587 -0.677 1.00 0.00 O ATOM 321 CB LYS A 25 -1.557 9.922 -2.558 1.00 0.00 C ATOM 322 CG LYS A 25 -0.496 10.357 -3.553 1.00 0.00 C ATOM 323 CD LYS A 25 -1.112 11.027 -4.770 1.00 0.00 C ATOM 324 CE LYS A 25 -1.725 12.373 -4.414 1.00 0.00 C ATOM 325 NZ LYS A 25 -1.805 13.276 -5.596 1.00 0.00 N ATOM 0 H LYS A 25 -3.051 8.905 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.756 7.948 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.452 9.621 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.833 10.775 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.197 11.046 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.085 9.490 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.349 11.165 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.878 10.378 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.724 12.220 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.130 12.848 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.228 14.183 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.849 13.442 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.393 12.834 -6.331 1.00 0.00 H new ATOM 339 N LYS A 26 -0.184 10.347 -0.061 1.00 0.00 N ATOM 340 CA LYS A 26 0.824 10.892 0.840 1.00 0.00 C ATOM 341 C LYS A 26 1.571 9.775 1.561 1.00 0.00 C ATOM 342 O LYS A 26 2.796 9.681 1.480 1.00 0.00 O ATOM 343 CB LYS A 26 0.173 11.826 1.862 1.00 0.00 C ATOM 344 CG LYS A 26 -0.570 12.993 1.234 1.00 0.00 C ATOM 345 CD LYS A 26 -1.021 13.996 2.282 1.00 0.00 C ATOM 346 CE LYS A 26 -2.029 14.983 1.712 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.362 16.157 1.084 1.00 0.00 N ATOM 0 H LYS A 26 -1.045 10.892 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 26 1.540 11.458 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.522 11.252 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.943 12.213 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.076 13.489 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.437 12.622 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.465 13.467 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.156 14.538 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.651 14.480 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.692 15.324 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.083 16.806 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.788 16.652 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.749 15.834 0.309 1.00 0.00 H new ATOM 361 N ALA A 27 0.826 8.928 2.263 1.00 0.00 N ATOM 362 CA ALA A 27 1.418 7.815 2.995 1.00 0.00 C ATOM 363 C ALA A 27 2.246 6.929 2.070 1.00 0.00 C ATOM 364 O ALA A 27 3.387 6.586 2.381 1.00 0.00 O ATOM 365 CB ALA A 27 0.333 6.997 3.680 1.00 0.00 C ATOM 0 H ALA A 27 -0.189 8.991 2.340 1.00 0.00 H new ATOM 0 HA ALA A 27 2.083 8.225 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.789 6.169 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.214 7.631 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.354 6.604 2.931 1.00 0.00 H new ATOM 371 N TYR A 28 1.665 6.562 0.934 1.00 0.00 N ATOM 372 CA TYR A 28 2.349 5.713 -0.035 1.00 0.00 C ATOM 373 C TYR A 28 3.708 6.297 -0.408 1.00 0.00 C ATOM 374 O TYR A 28 4.739 5.641 -0.263 1.00 0.00 O ATOM 375 CB TYR A 28 1.492 5.544 -1.291 1.00 0.00 C ATOM 376 CG TYR A 28 2.212 4.852 -2.426 1.00 0.00 C ATOM 377 CD1 TYR A 28 3.058 3.777 -2.186 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.044 5.274 -3.740 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.718 3.143 -3.221 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.699 4.645 -4.781 1.00 0.00 C ATOM 381 CZ TYR A 28 3.536 3.580 -4.516 1.00 0.00 C ATOM 382 OH TYR A 28 4.190 2.950 -5.550 1.00 0.00 O ATOM 0 H TYR A 28 0.722 6.839 0.661 1.00 0.00 H new ATOM 0 HA TYR A 28 2.507 4.737 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.599 4.974 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.159 6.525 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.202 3.431 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.390 6.108 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.373 2.309 -3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.557 4.985 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 28 5.151 3.134 -5.490 1.00 0.00 H new ATOM 392 N ARG A 29 3.700 7.536 -0.889 1.00 0.00 N ATOM 393 CA ARG A 29 4.931 8.210 -1.283 1.00 0.00 C ATOM 394 C ARG A 29 5.913 8.275 -0.118 1.00 0.00 C ATOM 395 O ARG A 29 7.039 7.787 -0.214 1.00 0.00 O ATOM 396 CB ARG A 29 4.626 9.622 -1.786 1.00 0.00 C ATOM 397 CG ARG A 29 3.897 9.650 -3.120 1.00 0.00 C ATOM 398 CD ARG A 29 4.102 10.973 -3.840 1.00 0.00 C ATOM 399 NE ARG A 29 5.367 11.010 -4.569 1.00 0.00 N ATOM 400 CZ ARG A 29 5.681 11.954 -5.449 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.827 12.935 -5.708 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.852 11.918 -6.073 1.00 0.00 N ATOM 0 H ARG A 29 2.855 8.093 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 29 5.388 7.635 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.023 10.141 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.561 10.174 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.254 8.834 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.832 9.484 -2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.279 11.139 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.077 11.787 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 29 6.047 10.270 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.926 12.966 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.071 13.658 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.511 11.165 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.092 12.643 -6.749 1.00 0.00 H new ATOM 416 N ARG A 30 5.478 8.881 0.982 1.00 0.00 N ATOM 417 CA ARG A 30 6.319 9.012 2.166 1.00 0.00 C ATOM 418 C ARG A 30 7.216 7.788 2.334 1.00 0.00 C ATOM 419 O ARG A 30 8.340 7.892 2.827 1.00 0.00 O ATOM 420 CB ARG A 30 5.455 9.198 3.414 1.00 0.00 C ATOM 421 CG ARG A 30 6.239 9.126 4.715 1.00 0.00 C ATOM 422 CD ARG A 30 5.333 9.311 5.922 1.00 0.00 C ATOM 423 NE ARG A 30 5.214 10.714 6.307 1.00 0.00 N ATOM 424 CZ ARG A 30 4.292 11.170 7.147 1.00 0.00 C ATOM 425 NH1 ARG A 30 3.413 10.337 7.688 1.00 0.00 N ATOM 426 NH2 ARG A 30 4.247 12.461 7.449 1.00 0.00 N ATOM 0 H ARG A 30 4.548 9.289 1.078 1.00 0.00 H new ATOM 0 HA ARG A 30 6.951 9.890 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.951 10.163 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.678 8.433 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.746 8.163 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.012 9.894 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.344 8.912 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.726 8.737 6.761 1.00 0.00 H new ATOM 0 HE ARG A 30 5.875 11.381 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.444 9.343 7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.706 10.690 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.921 13.105 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.538 12.809 8.094 1.00 0.00 H new ATOM 440 N LEU A 31 6.712 6.631 1.920 1.00 0.00 N ATOM 441 CA LEU A 31 7.466 5.387 2.025 1.00 0.00 C ATOM 442 C LEU A 31 8.397 5.212 0.829 1.00 0.00 C ATOM 443 O LEU A 31 9.614 5.125 0.985 1.00 0.00 O ATOM 444 CB LEU A 31 6.512 4.195 2.121 1.00 0.00 C ATOM 445 CG LEU A 31 5.487 4.246 3.255 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.632 2.988 3.258 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.184 4.423 4.596 1.00 0.00 C ATOM 0 H LEU A 31 5.784 6.528 1.508 1.00 0.00 H new ATOM 0 HA LEU A 31 8.071 5.434 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.975 4.108 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.106 3.288 2.235 1.00 0.00 H new ATOM 0 HG LEU A 31 4.834 5.104 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.908 3.042 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.104 2.904 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.270 2.115 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.439 4.457 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.860 3.586 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.752 5.353 4.591 1.00 0.00 H new ATOM 459 N ALA A 32 7.815 5.164 -0.365 1.00 0.00 N ATOM 460 CA ALA A 32 8.592 5.005 -1.588 1.00 0.00 C ATOM 461 C ALA A 32 9.891 5.800 -1.520 1.00 0.00 C ATOM 462 O ALA A 32 10.973 5.265 -1.766 1.00 0.00 O ATOM 463 CB ALA A 32 7.771 5.433 -2.795 1.00 0.00 C ATOM 0 H ALA A 32 6.808 5.233 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 32 8.847 3.950 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.364 5.309 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.874 4.818 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.486 6.480 -2.689 1.00 0.00 H new ATOM 469 N LEU A 33 9.778 7.081 -1.187 1.00 0.00 N ATOM 470 CA LEU A 33 10.944 7.952 -1.088 1.00 0.00 C ATOM 471 C LEU A 33 11.999 7.347 -0.167 1.00 0.00 C ATOM 472 O LEU A 33 13.199 7.460 -0.420 1.00 0.00 O ATOM 473 CB LEU A 33 10.532 9.332 -0.573 1.00 0.00 C ATOM 474 CG LEU A 33 9.800 10.230 -1.570 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.789 10.905 -2.507 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.778 9.426 -2.360 1.00 0.00 C ATOM 0 H LEU A 33 8.891 7.540 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 33 11.374 8.056 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.893 9.196 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.427 9.853 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 33 9.273 11.004 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.249 11.540 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.483 11.513 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.345 10.146 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.266 10.081 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.285 8.630 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.050 8.990 -1.676 1.00 0.00 H new ATOM 488 N LYS A 34 11.544 6.702 0.902 1.00 0.00 N ATOM 489 CA LYS A 34 12.446 6.075 1.860 1.00 0.00 C ATOM 490 C LYS A 34 12.918 4.715 1.353 1.00 0.00 C ATOM 491 O LYS A 34 14.014 4.264 1.686 1.00 0.00 O ATOM 492 CB LYS A 34 11.754 5.914 3.215 1.00 0.00 C ATOM 493 CG LYS A 34 12.570 5.128 4.226 1.00 0.00 C ATOM 494 CD LYS A 34 11.681 4.440 5.248 1.00 0.00 C ATOM 495 CE LYS A 34 12.437 4.140 6.533 1.00 0.00 C ATOM 496 NZ LYS A 34 13.587 3.224 6.299 1.00 0.00 N ATOM 0 H LYS A 34 10.554 6.600 1.127 1.00 0.00 H new ATOM 0 HA LYS A 34 13.316 6.721 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.539 6.902 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.796 5.415 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.173 4.383 3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.261 5.798 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.822 5.073 5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.293 3.512 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.798 5.072 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.757 3.692 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.025 2.977 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.252 2.359 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.289 3.696 5.694 1.00 0.00 H new ATOM 510 N PHE A 35 12.085 4.068 0.546 1.00 0.00 N ATOM 511 CA PHE A 35 12.417 2.760 -0.007 1.00 0.00 C ATOM 512 C PHE A 35 12.621 2.844 -1.517 1.00 0.00 C ATOM 513 O PHE A 35 12.295 1.911 -2.251 1.00 0.00 O ATOM 514 CB PHE A 35 11.313 1.751 0.315 1.00 0.00 C ATOM 515 CG PHE A 35 11.143 1.498 1.786 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.012 0.659 2.464 1.00 0.00 C ATOM 517 CD2 PHE A 35 10.112 2.100 2.490 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.858 0.425 3.817 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.953 1.870 3.844 1.00 0.00 C ATOM 520 CZ PHE A 35 10.827 1.030 4.508 1.00 0.00 C ATOM 0 H PHE A 35 11.174 4.428 0.260 1.00 0.00 H new ATOM 0 HA PHE A 35 13.349 2.426 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.370 2.113 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.536 0.808 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.820 0.182 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.425 2.756 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.543 -0.231 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.147 2.346 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.704 0.847 5.565 1.00 0.00 H new ATOM 530 N HIS A 36 13.161 3.969 -1.974 1.00 0.00 N ATOM 531 CA HIS A 36 13.408 4.176 -3.397 1.00 0.00 C ATOM 532 C HIS A 36 14.787 3.656 -3.790 1.00 0.00 C ATOM 533 O HIS A 36 15.765 3.802 -3.055 1.00 0.00 O ATOM 534 CB HIS A 36 13.291 5.660 -3.746 1.00 0.00 C ATOM 535 CG HIS A 36 12.812 5.911 -5.142 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.665 6.154 -6.198 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.560 5.954 -5.654 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.958 6.338 -7.299 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.678 6.221 -6.996 1.00 0.00 N ATOM 0 H HIS A 36 13.436 4.751 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 36 12.656 3.619 -3.956 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.606 6.137 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.264 6.134 -3.614 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.640 5.806 -5.109 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.359 6.548 -8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.903 6.314 -7.652 1.00 0.00 H new ATOM 547 N PRO A 37 14.870 3.033 -4.975 1.00 0.00 N ATOM 548 CA PRO A 37 16.124 2.478 -5.492 1.00 0.00 C ATOM 549 C PRO A 37 17.121 3.564 -5.882 1.00 0.00 C ATOM 550 O PRO A 37 18.313 3.299 -6.037 1.00 0.00 O ATOM 551 CB PRO A 37 15.681 1.690 -6.727 1.00 0.00 C ATOM 552 CG PRO A 37 14.415 2.345 -7.160 1.00 0.00 C ATOM 553 CD PRO A 37 13.745 2.824 -5.902 1.00 0.00 C ATOM 0 HA PRO A 37 16.640 1.873 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.435 1.728 -7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.521 0.638 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.617 3.176 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.778 1.644 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.186 3.745 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.039 2.088 -5.518 1.00 0.00 H new ATOM 561 N ASP A 38 16.626 4.787 -6.039 1.00 0.00 N ATOM 562 CA ASP A 38 17.474 5.914 -6.410 1.00 0.00 C ATOM 563 C ASP A 38 17.946 6.669 -5.172 1.00 0.00 C ATOM 564 O ASP A 38 19.035 7.244 -5.159 1.00 0.00 O ATOM 565 CB ASP A 38 16.719 6.862 -7.344 1.00 0.00 C ATOM 566 CG ASP A 38 16.880 6.486 -8.804 1.00 0.00 C ATOM 567 OD1 ASP A 38 16.389 5.407 -9.196 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.497 7.271 -9.553 1.00 0.00 O ATOM 0 H ASP A 38 15.641 5.023 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 38 18.348 5.523 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.660 6.856 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.078 7.880 -7.192 1.00 0.00 H new ATOM 573 N LYS A 39 17.120 6.664 -4.131 1.00 0.00 N ATOM 574 CA LYS A 39 17.452 7.348 -2.887 1.00 0.00 C ATOM 575 C LYS A 39 18.208 6.420 -1.941 1.00 0.00 C ATOM 576 O LYS A 39 19.281 6.762 -1.448 1.00 0.00 O ATOM 577 CB LYS A 39 16.180 7.861 -2.207 1.00 0.00 C ATOM 578 CG LYS A 39 15.637 9.140 -2.820 1.00 0.00 C ATOM 579 CD LYS A 39 15.163 8.917 -4.246 1.00 0.00 C ATOM 580 CE LYS A 39 14.239 10.034 -4.707 1.00 0.00 C ATOM 581 NZ LYS A 39 13.976 9.968 -6.172 1.00 0.00 N ATOM 0 H LYS A 39 16.215 6.193 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 39 18.094 8.195 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.413 7.088 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.387 8.033 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.810 9.512 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.411 9.907 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.024 8.858 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.642 7.962 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.295 9.971 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.684 10.998 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.343 10.746 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.874 10.053 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.528 9.059 -6.404 1.00 0.00 H new ATOM 595 N ASN A 40 17.640 5.244 -1.693 1.00 0.00 N ATOM 596 CA ASN A 40 18.261 4.267 -0.807 1.00 0.00 C ATOM 597 C ASN A 40 19.469 3.618 -1.475 1.00 0.00 C ATOM 598 O ASN A 40 19.374 3.102 -2.589 1.00 0.00 O ATOM 599 CB ASN A 40 17.247 3.193 -0.408 1.00 0.00 C ATOM 600 CG ASN A 40 17.524 2.619 0.968 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.656 2.250 1.282 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.489 2.540 1.796 1.00 0.00 N ATOM 0 H ASN A 40 16.751 4.945 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 40 18.600 4.789 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.244 3.620 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.264 2.389 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.615 2.162 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.568 2.858 1.493 1.00 0.00 H new ATOM 609 N HIS A 41 20.606 3.647 -0.786 1.00 0.00 N ATOM 610 CA HIS A 41 21.833 3.060 -1.311 1.00 0.00 C ATOM 611 C HIS A 41 21.931 1.583 -0.943 1.00 0.00 C ATOM 612 O HIS A 41 22.414 0.768 -1.728 1.00 0.00 O ATOM 613 CB HIS A 41 23.052 3.812 -0.776 1.00 0.00 C ATOM 614 CG HIS A 41 23.387 5.044 -1.559 1.00 0.00 C ATOM 615 ND1 HIS A 41 24.097 5.015 -2.741 1.00 0.00 N ATOM 616 CD2 HIS A 41 23.103 6.347 -1.325 1.00 0.00 C ATOM 617 CE1 HIS A 41 24.237 6.247 -3.198 1.00 0.00 C ATOM 618 NE2 HIS A 41 23.642 7.074 -2.357 1.00 0.00 N ATOM 0 H HIS A 41 20.702 4.071 0.137 1.00 0.00 H new ATOM 0 HA HIS A 41 21.810 3.144 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.870 4.090 0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.912 3.143 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 41 22.554 6.741 -0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 41 24.751 6.530 -4.105 1.00 0.00 H new ATOM 0 HE2 HIS A 41 23.591 8.088 -2.458 1.00 0.00 H new ATOM 626 N ALA A 42 21.468 1.245 0.257 1.00 0.00 N ATOM 627 CA ALA A 42 21.502 -0.134 0.728 1.00 0.00 C ATOM 628 C ALA A 42 20.285 -0.912 0.238 1.00 0.00 C ATOM 629 O ALA A 42 19.178 -0.383 0.142 1.00 0.00 O ATOM 630 CB ALA A 42 21.577 -0.170 2.248 1.00 0.00 C ATOM 0 H ALA A 42 21.065 1.907 0.920 1.00 0.00 H new ATOM 0 HA ALA A 42 22.393 -0.610 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.602 -1.206 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.480 0.342 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.703 0.328 2.667 1.00 0.00 H new ATOM 636 N PRO A 43 20.494 -2.198 -0.081 1.00 0.00 N ATOM 637 CA PRO A 43 19.425 -3.075 -0.568 1.00 0.00 C ATOM 638 C PRO A 43 18.409 -3.408 0.519 1.00 0.00 C ATOM 639 O PRO A 43 18.396 -2.788 1.582 1.00 0.00 O ATOM 640 CB PRO A 43 20.174 -4.337 -1.004 1.00 0.00 C ATOM 641 CG PRO A 43 21.421 -4.338 -0.189 1.00 0.00 C ATOM 642 CD PRO A 43 21.788 -2.894 0.008 1.00 0.00 C ATOM 0 HA PRO A 43 18.846 -2.609 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 43 19.581 -5.233 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.398 -4.316 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 43 21.261 -4.834 0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.220 -4.878 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.267 -2.729 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.484 -2.548 -0.757 1.00 0.00 H new ATOM 650 N GLY A 44 17.557 -4.392 0.246 1.00 0.00 N ATOM 651 CA GLY A 44 16.549 -4.790 1.211 1.00 0.00 C ATOM 652 C GLY A 44 15.385 -3.820 1.267 1.00 0.00 C ATOM 653 O GLY A 44 14.228 -4.222 1.157 1.00 0.00 O ATOM 0 H GLY A 44 17.547 -4.920 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.179 -5.783 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.005 -4.863 2.198 1.00 0.00 H new ATOM 657 N ALA A 45 15.693 -2.539 1.441 1.00 0.00 N ATOM 658 CA ALA A 45 14.664 -1.509 1.511 1.00 0.00 C ATOM 659 C ALA A 45 13.911 -1.393 0.190 1.00 0.00 C ATOM 660 O ALA A 45 12.706 -1.635 0.126 1.00 0.00 O ATOM 661 CB ALA A 45 15.282 -0.170 1.887 1.00 0.00 C ATOM 0 H ALA A 45 16.647 -2.190 1.536 1.00 0.00 H new ATOM 0 HA ALA A 45 13.950 -1.797 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.502 0.590 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.768 -0.254 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.019 0.114 1.136 1.00 0.00 H new ATOM 667 N THR A 46 14.630 -1.021 -0.865 1.00 0.00 N ATOM 668 CA THR A 46 14.030 -0.872 -2.185 1.00 0.00 C ATOM 669 C THR A 46 13.102 -2.039 -2.502 1.00 0.00 C ATOM 670 O THR A 46 11.902 -1.853 -2.699 1.00 0.00 O ATOM 671 CB THR A 46 15.106 -0.773 -3.283 1.00 0.00 C ATOM 672 OG1 THR A 46 15.947 0.361 -3.044 1.00 0.00 O ATOM 673 CG2 THR A 46 14.466 -0.655 -4.658 1.00 0.00 C ATOM 0 H THR A 46 15.629 -0.817 -0.831 1.00 0.00 H new ATOM 0 HA THR A 46 13.453 0.053 -2.168 1.00 0.00 H new ATOM 0 HB THR A 46 15.707 -1.682 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.846 0.180 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.245 -0.586 -5.417 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.849 -1.533 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.844 0.240 -4.694 1.00 0.00 H new ATOM 681 N GLU A 47 13.666 -3.242 -2.549 1.00 0.00 N ATOM 682 CA GLU A 47 12.887 -4.439 -2.843 1.00 0.00 C ATOM 683 C GLU A 47 11.523 -4.382 -2.160 1.00 0.00 C ATOM 684 O GLU A 47 10.545 -4.940 -2.657 1.00 0.00 O ATOM 685 CB GLU A 47 13.643 -5.690 -2.391 1.00 0.00 C ATOM 686 CG GLU A 47 14.833 -6.033 -3.273 1.00 0.00 C ATOM 687 CD GLU A 47 15.908 -4.964 -3.244 1.00 0.00 C ATOM 688 OE1 GLU A 47 16.273 -4.521 -2.135 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.383 -4.571 -4.330 1.00 0.00 O ATOM 0 H GLU A 47 14.658 -3.413 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 47 12.733 -4.485 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.989 -5.545 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.955 -6.535 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.260 -6.982 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.492 -6.172 -4.299 1.00 0.00 H new ATOM 696 N ALA A 48 11.468 -3.703 -1.019 1.00 0.00 N ATOM 697 CA ALA A 48 10.225 -3.572 -0.268 1.00 0.00 C ATOM 698 C ALA A 48 9.233 -2.676 -1.002 1.00 0.00 C ATOM 699 O ALA A 48 8.043 -2.982 -1.078 1.00 0.00 O ATOM 700 CB ALA A 48 10.504 -3.024 1.123 1.00 0.00 C ATOM 0 H ALA A 48 12.269 -3.235 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 48 9.780 -4.563 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.567 -2.931 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.171 -3.703 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.974 -2.044 1.040 1.00 0.00 H new ATOM 706 N PHE A 49 9.730 -1.567 -1.540 1.00 0.00 N ATOM 707 CA PHE A 49 8.886 -0.625 -2.267 1.00 0.00 C ATOM 708 C PHE A 49 7.881 -1.362 -3.147 1.00 0.00 C ATOM 709 O PHE A 49 6.693 -1.042 -3.155 1.00 0.00 O ATOM 710 CB PHE A 49 9.746 0.306 -3.124 1.00 0.00 C ATOM 711 CG PHE A 49 8.945 1.195 -4.032 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.773 1.786 -3.588 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.364 1.439 -5.330 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.034 2.604 -4.420 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.629 2.257 -6.167 1.00 0.00 C ATOM 716 CZ PHE A 49 7.462 2.840 -5.712 1.00 0.00 C ATOM 0 H PHE A 49 10.713 -1.298 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 49 8.336 -0.031 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.359 0.926 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.428 -0.294 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.433 1.605 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.275 0.985 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.123 3.059 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.967 2.440 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.886 3.479 -6.365 1.00 0.00 H new ATOM 726 N LYS A 50 8.368 -2.352 -3.889 1.00 0.00 N ATOM 727 CA LYS A 50 7.514 -3.137 -4.773 1.00 0.00 C ATOM 728 C LYS A 50 6.212 -3.516 -4.076 1.00 0.00 C ATOM 729 O LYS A 50 5.124 -3.285 -4.604 1.00 0.00 O ATOM 730 CB LYS A 50 8.246 -4.399 -5.233 1.00 0.00 C ATOM 731 CG LYS A 50 9.111 -4.187 -6.464 1.00 0.00 C ATOM 732 CD LYS A 50 10.513 -3.738 -6.089 1.00 0.00 C ATOM 733 CE LYS A 50 11.358 -3.461 -7.323 1.00 0.00 C ATOM 734 NZ LYS A 50 11.902 -4.714 -7.916 1.00 0.00 N ATOM 0 H LYS A 50 9.350 -2.629 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 50 7.274 -2.526 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.872 -4.763 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.513 -5.177 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.165 -5.113 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.649 -3.440 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.456 -2.838 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.993 -4.507 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.755 -2.940 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.181 -2.798 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.472 -4.482 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.498 -5.199 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.116 -5.337 -8.193 1.00 0.00 H new ATOM 748 N ALA A 51 6.330 -4.100 -2.888 1.00 0.00 N ATOM 749 CA ALA A 51 5.162 -4.508 -2.118 1.00 0.00 C ATOM 750 C ALA A 51 4.249 -3.320 -1.834 1.00 0.00 C ATOM 751 O ALA A 51 3.030 -3.412 -1.987 1.00 0.00 O ATOM 752 CB ALA A 51 5.592 -5.168 -0.816 1.00 0.00 C ATOM 0 H ALA A 51 7.223 -4.301 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 51 4.601 -5.230 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.709 -5.468 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.197 -6.047 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.178 -4.463 -0.227 1.00 0.00 H new ATOM 758 N ILE A 52 4.845 -2.207 -1.421 1.00 0.00 N ATOM 759 CA ILE A 52 4.084 -1.001 -1.117 1.00 0.00 C ATOM 760 C ILE A 52 3.127 -0.654 -2.252 1.00 0.00 C ATOM 761 O ILE A 52 1.912 -0.791 -2.118 1.00 0.00 O ATOM 762 CB ILE A 52 5.012 0.200 -0.857 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.157 -0.204 0.074 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.225 1.360 -0.266 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.923 0.973 0.636 1.00 0.00 C ATOM 0 H ILE A 52 5.852 -2.115 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 52 3.511 -1.209 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 52 5.438 0.523 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.754 -0.792 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.846 -0.849 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.895 2.201 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.442 1.661 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.773 1.050 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.719 0.612 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.356 1.549 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.246 1.608 1.208 1.00 0.00 H new ATOM 777 N GLY A 53 3.685 -0.204 -3.373 1.00 0.00 N ATOM 778 CA GLY A 53 2.867 0.154 -4.516 1.00 0.00 C ATOM 779 C GLY A 53 1.695 -0.788 -4.709 1.00 0.00 C ATOM 780 O GLY A 53 0.551 -0.350 -4.839 1.00 0.00 O ATOM 0 H GLY A 53 4.688 -0.081 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.495 1.170 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.483 0.151 -5.415 1.00 0.00 H new ATOM 784 N THR A 54 1.979 -2.086 -4.730 1.00 0.00 N ATOM 785 CA THR A 54 0.940 -3.093 -4.911 1.00 0.00 C ATOM 786 C THR A 54 -0.292 -2.769 -4.074 1.00 0.00 C ATOM 787 O THR A 54 -1.421 -2.847 -4.557 1.00 0.00 O ATOM 788 CB THR A 54 1.447 -4.498 -4.536 1.00 0.00 C ATOM 789 OG1 THR A 54 2.606 -4.824 -5.312 1.00 0.00 O ATOM 790 CG2 THR A 54 0.366 -5.543 -4.765 1.00 0.00 C ATOM 0 H THR A 54 2.920 -2.465 -4.624 1.00 0.00 H new ATOM 0 HA THR A 54 0.671 -3.082 -5.967 1.00 0.00 H new ATOM 0 HB THR A 54 1.708 -4.495 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.388 -4.363 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.748 -6.527 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.503 -5.308 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.077 -5.544 -5.816 1.00 0.00 H new ATOM 798 N ALA A 55 -0.066 -2.404 -2.815 1.00 0.00 N ATOM 799 CA ALA A 55 -1.158 -2.065 -1.911 1.00 0.00 C ATOM 800 C ALA A 55 -1.892 -0.813 -2.381 1.00 0.00 C ATOM 801 O ALA A 55 -3.096 -0.846 -2.636 1.00 0.00 O ATOM 802 CB ALA A 55 -0.632 -1.872 -0.497 1.00 0.00 C ATOM 0 H ALA A 55 0.863 -2.336 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.868 -2.892 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.458 -1.619 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.160 -2.793 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.100 -1.065 -0.488 1.00 0.00 H new ATOM 808 N TYR A 56 -1.159 0.289 -2.492 1.00 0.00 N ATOM 809 CA TYR A 56 -1.741 1.553 -2.928 1.00 0.00 C ATOM 810 C TYR A 56 -2.580 1.361 -4.188 1.00 0.00 C ATOM 811 O TYR A 56 -3.697 1.867 -4.286 1.00 0.00 O ATOM 812 CB TYR A 56 -0.640 2.583 -3.187 1.00 0.00 C ATOM 813 CG TYR A 56 -1.154 3.893 -3.739 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.586 4.905 -2.891 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.207 4.119 -5.109 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.057 6.104 -3.391 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.676 5.315 -5.618 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.100 6.304 -4.755 1.00 0.00 C ATOM 819 OH TYR A 56 -2.568 7.496 -5.257 1.00 0.00 O ATOM 0 H TYR A 56 -0.161 0.333 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.391 1.918 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.107 2.775 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.082 2.162 -3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.553 4.752 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.876 3.347 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.390 6.880 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.710 5.475 -6.686 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.531 7.476 -6.236 1.00 0.00 H new ATOM 829 N ALA A 57 -2.031 0.625 -5.149 1.00 0.00 N ATOM 830 CA ALA A 57 -2.729 0.363 -6.402 1.00 0.00 C ATOM 831 C ALA A 57 -4.113 -0.223 -6.147 1.00 0.00 C ATOM 832 O ALA A 57 -5.079 0.120 -6.830 1.00 0.00 O ATOM 833 CB ALA A 57 -1.909 -0.575 -7.276 1.00 0.00 C ATOM 0 H ALA A 57 -1.106 0.200 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.856 1.311 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.442 -0.762 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.944 -0.118 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.753 -1.518 -6.752 1.00 0.00 H new ATOM 839 N VAL A 58 -4.204 -1.109 -5.161 1.00 0.00 N ATOM 840 CA VAL A 58 -5.471 -1.742 -4.815 1.00 0.00 C ATOM 841 C VAL A 58 -6.469 -0.720 -4.281 1.00 0.00 C ATOM 842 O VAL A 58 -7.447 -0.384 -4.949 1.00 0.00 O ATOM 843 CB VAL A 58 -5.277 -2.851 -3.764 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.612 -3.479 -3.397 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.305 -3.904 -4.275 1.00 0.00 C ATOM 0 H VAL A 58 -3.415 -1.405 -4.587 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.863 -2.184 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.854 -2.405 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.454 -4.260 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.273 -2.715 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.067 -3.912 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.179 -4.680 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.697 -4.348 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.341 -3.439 -4.482 1.00 0.00 H new ATOM 855 N LEU A 59 -6.214 -0.229 -3.074 1.00 0.00 N ATOM 856 CA LEU A 59 -7.090 0.757 -2.449 1.00 0.00 C ATOM 857 C LEU A 59 -7.307 1.954 -3.369 1.00 0.00 C ATOM 858 O LEU A 59 -8.443 2.341 -3.642 1.00 0.00 O ATOM 859 CB LEU A 59 -6.497 1.223 -1.118 1.00 0.00 C ATOM 860 CG LEU A 59 -6.031 0.119 -0.167 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.333 0.718 1.044 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.207 -0.745 0.265 1.00 0.00 C ATOM 0 H LEU A 59 -5.409 -0.497 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.055 0.285 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.649 1.875 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.243 1.828 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.318 -0.513 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.008 -0.082 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.466 1.292 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.023 1.374 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.857 -1.525 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.945 -0.126 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.663 -1.204 -0.612 1.00 0.00 H new ATOM 874 N SER A 60 -6.210 2.534 -3.845 1.00 0.00 N ATOM 875 CA SER A 60 -6.280 3.688 -4.734 1.00 0.00 C ATOM 876 C SER A 60 -7.428 3.539 -5.727 1.00 0.00 C ATOM 877 O SER A 60 -7.976 4.528 -6.213 1.00 0.00 O ATOM 878 CB SER A 60 -4.959 3.861 -5.485 1.00 0.00 C ATOM 879 OG SER A 60 -5.026 4.949 -6.391 1.00 0.00 O ATOM 0 H SER A 60 -5.262 2.224 -3.630 1.00 0.00 H new ATOM 0 HA SER A 60 -6.462 4.574 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.151 4.026 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.723 2.946 -6.028 1.00 0.00 H new ATOM 0 HG SER A 60 -4.150 5.386 -6.443 1.00 0.00 H new ATOM 885 N ASN A 61 -7.787 2.295 -6.026 1.00 0.00 N ATOM 886 CA ASN A 61 -8.869 2.015 -6.962 1.00 0.00 C ATOM 887 C ASN A 61 -10.162 1.692 -6.219 1.00 0.00 C ATOM 888 O ASN A 61 -10.158 1.062 -5.161 1.00 0.00 O ATOM 889 CB ASN A 61 -8.490 0.850 -7.879 1.00 0.00 C ATOM 890 CG ASN A 61 -7.744 1.308 -9.117 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.448 2.492 -9.274 1.00 0.00 O ATOM 892 ND2 ASN A 61 -7.436 0.368 -10.003 1.00 0.00 N ATOM 0 H ASN A 61 -7.344 1.464 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.032 2.907 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.872 0.143 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.393 0.318 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.934 0.616 -10.855 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.702 -0.602 -9.831 1.00 0.00 H new ATOM 899 N PRO A 62 -11.296 2.132 -6.785 1.00 0.00 N ATOM 900 CA PRO A 62 -12.617 1.900 -6.194 1.00 0.00 C ATOM 901 C PRO A 62 -13.035 0.436 -6.264 1.00 0.00 C ATOM 902 O PRO A 62 -13.616 -0.099 -5.320 1.00 0.00 O ATOM 903 CB PRO A 62 -13.546 2.763 -7.052 1.00 0.00 C ATOM 904 CG PRO A 62 -12.845 2.887 -8.361 1.00 0.00 C ATOM 905 CD PRO A 62 -11.375 2.889 -8.045 1.00 0.00 C ATOM 0 HA PRO A 62 -12.638 2.151 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.524 2.296 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.711 3.740 -6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.101 2.058 -9.021 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.135 3.804 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.793 2.415 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.990 3.902 -7.930 1.00 0.00 H new ATOM 913 N GLU A 63 -12.735 -0.207 -7.388 1.00 0.00 N ATOM 914 CA GLU A 63 -13.080 -1.611 -7.580 1.00 0.00 C ATOM 915 C GLU A 63 -12.234 -2.508 -6.681 1.00 0.00 C ATOM 916 O GLU A 63 -12.758 -3.366 -5.971 1.00 0.00 O ATOM 917 CB GLU A 63 -12.887 -2.011 -9.044 1.00 0.00 C ATOM 918 CG GLU A 63 -13.833 -3.107 -9.505 1.00 0.00 C ATOM 919 CD GLU A 63 -15.128 -2.560 -10.073 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.601 -1.518 -9.572 1.00 0.00 O ATOM 921 OE2 GLU A 63 -15.669 -3.172 -11.017 1.00 0.00 O ATOM 0 H GLU A 63 -12.254 0.221 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.128 -1.741 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.028 -1.132 -9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.860 -2.345 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.337 -3.715 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.058 -3.764 -8.665 1.00 0.00 H new ATOM 928 N LYS A 64 -10.922 -2.302 -6.716 1.00 0.00 N ATOM 929 CA LYS A 64 -10.002 -3.090 -5.905 1.00 0.00 C ATOM 930 C LYS A 64 -10.161 -2.759 -4.425 1.00 0.00 C ATOM 931 O LYS A 64 -9.822 -3.566 -3.559 1.00 0.00 O ATOM 932 CB LYS A 64 -8.558 -2.836 -6.343 1.00 0.00 C ATOM 933 CG LYS A 64 -8.225 -3.415 -7.707 1.00 0.00 C ATOM 934 CD LYS A 64 -6.757 -3.225 -8.051 1.00 0.00 C ATOM 935 CE LYS A 64 -6.485 -3.518 -9.518 1.00 0.00 C ATOM 936 NZ LYS A 64 -5.199 -2.920 -9.974 1.00 0.00 N ATOM 0 H LYS A 64 -10.472 -1.595 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.240 -4.144 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.376 -1.761 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.882 -3.262 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.468 -4.477 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.843 -2.936 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.458 -2.202 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.149 -3.882 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.460 -4.596 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.302 -3.127 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.050 -3.142 -10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.232 -1.888 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.416 -3.312 -9.413 1.00 0.00 H new ATOM 950 N ARG A 65 -10.679 -1.568 -4.142 1.00 0.00 N ATOM 951 CA ARG A 65 -10.883 -1.132 -2.766 1.00 0.00 C ATOM 952 C ARG A 65 -12.139 -1.766 -2.175 1.00 0.00 C ATOM 953 O ARG A 65 -12.108 -2.324 -1.078 1.00 0.00 O ATOM 954 CB ARG A 65 -10.991 0.393 -2.703 1.00 0.00 C ATOM 955 CG ARG A 65 -11.443 0.917 -1.350 1.00 0.00 C ATOM 956 CD ARG A 65 -11.558 2.433 -1.349 1.00 0.00 C ATOM 957 NE ARG A 65 -11.970 2.950 -0.047 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.548 4.134 0.125 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.782 4.918 -0.918 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.894 4.534 1.341 1.00 0.00 N ATOM 0 H ARG A 65 -10.965 -0.888 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.023 -1.454 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.021 0.828 -2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.692 0.731 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.407 0.478 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.735 0.604 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.598 2.869 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.278 2.742 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.805 2.370 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.518 4.613 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.226 5.827 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.716 3.933 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.338 5.443 1.472 1.00 0.00 H new ATOM 974 N LYS A 66 -13.243 -1.675 -2.909 1.00 0.00 N ATOM 975 CA LYS A 66 -14.510 -2.240 -2.459 1.00 0.00 C ATOM 976 C LYS A 66 -14.410 -3.755 -2.319 1.00 0.00 C ATOM 977 O LYS A 66 -14.940 -4.335 -1.371 1.00 0.00 O ATOM 978 CB LYS A 66 -15.629 -1.880 -3.439 1.00 0.00 C ATOM 979 CG LYS A 66 -15.443 -2.481 -4.822 1.00 0.00 C ATOM 980 CD LYS A 66 -16.599 -2.129 -5.743 1.00 0.00 C ATOM 981 CE LYS A 66 -16.785 -3.178 -6.829 1.00 0.00 C ATOM 982 NZ LYS A 66 -18.202 -3.264 -7.280 1.00 0.00 N ATOM 0 H LYS A 66 -13.286 -1.215 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.742 -1.817 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.581 -2.218 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.687 -0.795 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.510 -2.120 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.359 -3.565 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.516 -2.040 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.417 -1.157 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.147 -2.937 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.463 -4.150 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.287 -3.990 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.808 -3.519 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.501 -2.344 -7.661 1.00 0.00 H new ATOM 996 N GLN A 67 -13.728 -4.389 -3.267 1.00 0.00 N ATOM 997 CA GLN A 67 -13.559 -5.838 -3.247 1.00 0.00 C ATOM 998 C GLN A 67 -12.613 -6.260 -2.128 1.00 0.00 C ATOM 999 O GLN A 67 -12.800 -7.306 -1.505 1.00 0.00 O ATOM 1000 CB GLN A 67 -13.026 -6.329 -4.594 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.646 -5.790 -4.935 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.535 -6.549 -4.236 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.788 -7.486 -3.479 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.295 -6.147 -4.488 1.00 0.00 N ATOM 0 H GLN A 67 -13.284 -3.923 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.534 -6.290 -3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.990 -7.418 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.724 -6.039 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.495 -5.844 -6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.592 -4.737 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.131 -5.365 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.506 -6.620 -4.047 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.597 -5.442 -1.878 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.620 -5.732 -0.836 1.00 0.00 C ATOM 1015 C TYR A 68 -11.286 -5.788 0.535 1.00 0.00 C ATOM 1016 O TYR A 68 -10.933 -6.614 1.377 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.514 -4.676 -0.836 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.769 -4.579 0.476 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -8.158 -5.696 1.034 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.676 -3.373 1.158 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.476 -5.613 2.233 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.995 -3.280 2.357 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.397 -4.403 2.890 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.719 -4.316 4.084 1.00 0.00 O ATOM 0 H TYR A 68 -11.429 -4.572 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.181 -6.707 -1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.804 -4.905 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.951 -3.705 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.217 -6.645 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.144 -2.492 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.008 -6.491 2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.931 -2.334 2.874 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.757 -3.394 4.415 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.252 -4.902 0.752 1.00 0.00 N ATOM 1035 CA ASP A 69 -12.971 -4.850 2.020 1.00 0.00 C ATOM 1036 C ASP A 69 -13.847 -6.085 2.200 1.00 0.00 C ATOM 1037 O ASP A 69 -13.801 -6.744 3.237 1.00 0.00 O ATOM 1038 CB ASP A 69 -13.828 -3.585 2.093 1.00 0.00 C ATOM 1039 CG ASP A 69 -14.001 -3.084 3.513 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.979 -2.903 4.207 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -15.159 -2.874 3.932 1.00 0.00 O ATOM 0 H ASP A 69 -12.555 -4.210 0.067 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.237 -4.829 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.369 -2.803 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.808 -3.788 1.661 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.646 -6.390 1.182 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.534 -7.546 1.229 1.00 0.00 C ATOM 1048 C GLN A 70 -14.738 -8.846 1.214 1.00 0.00 C ATOM 1049 O GLN A 70 -14.788 -9.628 2.163 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.507 -7.516 0.048 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.801 -6.776 0.345 1.00 0.00 C ATOM 1052 CD GLN A 70 -18.476 -7.265 1.611 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -18.300 -8.414 2.018 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -19.255 -6.394 2.242 1.00 0.00 N ATOM 0 H GLN A 70 -14.697 -5.854 0.316 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.100 -7.500 2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.017 -7.046 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.742 -8.539 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.592 -5.710 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.484 -6.895 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.373 -5.452 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.736 -6.667 3.099 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.003 -9.072 0.130 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.196 -10.279 -0.010 1.00 0.00 C ATOM 1065 C PHE A 71 -12.008 -10.252 0.947 1.00 0.00 C ATOM 1066 O PHE A 71 -11.982 -10.972 1.943 1.00 0.00 O ATOM 1067 CB PHE A 71 -12.703 -10.424 -1.451 1.00 0.00 C ATOM 1068 CG PHE A 71 -13.724 -11.022 -2.376 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -14.885 -10.332 -2.687 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -13.524 -12.274 -2.935 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -15.826 -10.878 -3.539 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -14.462 -12.825 -3.787 1.00 0.00 C ATOM 1073 CZ PHE A 71 -15.615 -12.127 -4.089 1.00 0.00 C ATOM 0 H PHE A 71 -13.950 -8.435 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.821 -11.136 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.413 -9.443 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.808 -11.046 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.056 -9.356 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.625 -12.825 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -16.725 -10.329 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -14.294 -13.801 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.350 -12.557 -4.754 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.023 -9.414 0.634 1.00 0.00 N ATOM 1084 CA GLY A 72 -9.844 -9.308 1.474 1.00 0.00 C ATOM 1085 C GLY A 72 -8.567 -9.188 0.667 1.00 0.00 C ATOM 1086 O GLY A 72 -8.597 -8.808 -0.503 1.00 0.00 O ATOM 0 H GLY A 72 -11.021 -8.807 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.942 -8.439 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.781 -10.184 2.119 1.00 0.00 H new ATOM 1090 N SER A 73 -7.440 -9.512 1.294 1.00 0.00 N ATOM 1091 CA SER A 73 -6.145 -9.433 0.629 1.00 0.00 C ATOM 1092 C SER A 73 -5.662 -10.819 0.213 1.00 0.00 C ATOM 1093 O SER A 73 -6.013 -11.822 0.833 1.00 0.00 O ATOM 1094 CB SER A 73 -5.114 -8.776 1.549 1.00 0.00 C ATOM 1095 OG SER A 73 -3.842 -8.714 0.927 1.00 0.00 O ATOM 0 H SER A 73 -7.398 -9.832 2.262 1.00 0.00 H new ATOM 0 HA SER A 73 -6.262 -8.824 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.444 -7.771 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.040 -9.340 2.479 1.00 0.00 H new ATOM 0 HG SER A 73 -3.186 -8.352 1.559 1.00 0.00 H new ATOM 1101 N GLY A 74 -4.854 -10.866 -0.842 1.00 0.00 N ATOM 1102 CA GLY A 74 -4.336 -12.133 -1.323 1.00 0.00 C ATOM 1103 C GLY A 74 -5.018 -12.593 -2.596 1.00 0.00 C ATOM 1104 O GLY A 74 -5.709 -13.611 -2.623 1.00 0.00 O ATOM 0 H GLY A 74 -4.549 -10.049 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.265 -12.040 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.465 -12.891 -0.551 1.00 0.00 H new ATOM 1108 N PRO A 75 -4.828 -11.829 -3.683 1.00 0.00 N ATOM 1109 CA PRO A 75 -5.423 -12.143 -4.985 1.00 0.00 C ATOM 1110 C PRO A 75 -4.800 -13.379 -5.624 1.00 0.00 C ATOM 1111 O PRO A 75 -3.963 -14.049 -5.018 1.00 0.00 O ATOM 1112 CB PRO A 75 -5.121 -10.898 -5.823 1.00 0.00 C ATOM 1113 CG PRO A 75 -3.908 -10.303 -5.193 1.00 0.00 C ATOM 1114 CD PRO A 75 -4.017 -10.601 -3.723 1.00 0.00 C ATOM 0 HA PRO A 75 -6.486 -12.371 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.939 -11.157 -6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.957 -10.199 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.999 -10.734 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.863 -9.229 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.037 -10.752 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.496 -9.785 -3.182 1.00 0.00 H new ATOM 1122 N SER A 76 -5.212 -13.677 -6.852 1.00 0.00 N ATOM 1123 CA SER A 76 -4.696 -14.835 -7.573 1.00 0.00 C ATOM 1124 C SER A 76 -3.310 -14.547 -8.143 1.00 0.00 C ATOM 1125 O SER A 76 -3.158 -13.728 -9.049 1.00 0.00 O ATOM 1126 CB SER A 76 -5.652 -15.228 -8.700 1.00 0.00 C ATOM 1127 OG SER A 76 -6.877 -15.718 -8.182 1.00 0.00 O ATOM 0 H SER A 76 -5.902 -13.132 -7.369 1.00 0.00 H new ATOM 0 HA SER A 76 -4.615 -15.664 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.842 -14.364 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.188 -15.990 -9.326 1.00 0.00 H new ATOM 0 HG SER A 76 -7.471 -15.961 -8.922 1.00 0.00 H new ATOM 1133 N SER A 77 -2.303 -15.227 -7.605 1.00 0.00 N ATOM 1134 CA SER A 77 -0.929 -15.043 -8.057 1.00 0.00 C ATOM 1135 C SER A 77 -0.733 -15.627 -9.452 1.00 0.00 C ATOM 1136 O SER A 77 -1.126 -16.760 -9.724 1.00 0.00 O ATOM 1137 CB SER A 77 0.045 -15.698 -7.076 1.00 0.00 C ATOM 1138 OG SER A 77 -0.153 -15.212 -5.759 1.00 0.00 O ATOM 0 H SER A 77 -2.413 -15.910 -6.856 1.00 0.00 H new ATOM 0 HA SER A 77 -0.727 -13.973 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.090 -16.779 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.070 -15.500 -7.390 1.00 0.00 H new ATOM 0 HG SER A 77 0.480 -15.647 -5.151 1.00 0.00 H new ATOM 1144 N GLY A 78 -0.121 -14.842 -10.335 1.00 0.00 N ATOM 1145 CA GLY A 78 0.117 -15.298 -11.692 1.00 0.00 C ATOM 1146 C GLY A 78 1.215 -16.340 -11.770 1.00 0.00 C ATOM 1147 O GLY A 78 1.422 -16.957 -12.815 1.00 0.00 O ATOM 0 H GLY A 78 0.214 -13.900 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.804 -15.715 -12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.384 -14.446 -12.317 1.00 0.00 H new TER 1151 GLY A 78