USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -138:sc= -0.151 (180deg=-0.968) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.602 K(o=0.6,f=-0.75) USER MOD Single : A 9 ASN : amide:sc= -0.0591 K(o=-0.059,f=-0.57) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 45:sc= -0.557! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 2.39 (180deg=2.08) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.616 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 89:sc= 1.29 USER MOD Single : A 36 HIS : no HD1:sc=-0.00324 X(o=-0.0032,f=-0.097) USER MOD Single : A 37 THR OG1 : rot 92:sc= 1.01 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.171 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0268 (180deg=-0.152) USER MOD Single : A 42 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.019) USER MOD Single : A 44 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.074) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc=-0.00959 (180deg=-0.188) USER MOD Single : A 53 MET CE :methyl -160:sc= -4.5! (180deg=-5.37!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 64 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.81) USER MOD Single : A 74 SER OG : rot 56:sc= 1.26 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.869 -16.077 9.257 1.00 50.45 N ATOM 2 CA GLU A 1 13.502 -15.139 8.354 1.00 12.31 C ATOM 3 C GLU A 1 14.934 -14.883 8.767 1.00 52.53 C ATOM 4 O GLU A 1 15.211 -14.531 9.920 1.00 4.22 O ATOM 5 CB GLU A 1 12.742 -13.802 8.277 1.00 62.45 C ATOM 6 CG GLU A 1 11.533 -13.781 7.340 1.00 5.31 C ATOM 7 CD GLU A 1 10.505 -14.817 7.661 1.00 51.12 C ATOM 8 OE1 GLU A 1 9.682 -14.593 8.585 1.00 1.11 O ATOM 9 OE2 GLU A 1 10.486 -15.876 6.982 1.00 11.30 O ATOM 0 H1 GLU A 1 12.298 -16.753 8.711 1.00 50.45 H new ATOM 0 H2 GLU A 1 13.599 -16.591 9.791 1.00 50.45 H new ATOM 0 H3 GLU A 1 12.255 -15.561 9.919 1.00 50.45 H new ATOM 0 HA GLU A 1 13.483 -15.595 7.364 1.00 12.31 H new ATOM 0 HB2 GLU A 1 12.406 -13.537 9.280 1.00 62.45 H new ATOM 0 HB3 GLU A 1 13.439 -13.026 7.959 1.00 62.45 H new ATOM 0 HG2 GLU A 1 11.069 -12.796 7.383 1.00 5.31 H new ATOM 0 HG3 GLU A 1 11.876 -13.927 6.316 1.00 5.31 H new ATOM 16 N SER A 2 15.840 -15.099 7.850 1.00 2.32 N ATOM 17 CA SER A 2 17.223 -14.777 8.067 1.00 71.33 C ATOM 18 C SER A 2 17.372 -13.267 7.969 1.00 63.40 C ATOM 19 O SER A 2 18.172 -12.652 8.677 1.00 53.04 O ATOM 20 CB SER A 2 18.088 -15.453 7.018 1.00 64.20 C ATOM 21 OG SER A 2 17.929 -16.865 7.047 1.00 22.01 O ATOM 0 H SER A 2 15.639 -15.502 6.935 1.00 2.32 H new ATOM 0 HA SER A 2 17.543 -15.128 9.048 1.00 71.33 H new ATOM 0 HB2 SER A 2 17.826 -15.076 6.030 1.00 64.20 H new ATOM 0 HB3 SER A 2 19.134 -15.199 7.188 1.00 64.20 H new ATOM 0 HG SER A 2 18.497 -17.272 6.360 1.00 22.01 H new ATOM 27 N ASP A 3 16.558 -12.693 7.115 1.00 10.25 N ATOM 28 CA ASP A 3 16.487 -11.269 6.887 1.00 73.51 C ATOM 29 C ASP A 3 15.139 -11.062 6.232 1.00 1.22 C ATOM 30 O ASP A 3 14.399 -12.036 6.054 1.00 64.40 O ATOM 31 CB ASP A 3 17.619 -10.798 5.938 1.00 51.42 C ATOM 32 CG ASP A 3 17.896 -9.292 6.003 1.00 33.21 C ATOM 33 OD1 ASP A 3 17.033 -8.474 5.653 1.00 3.11 O ATOM 34 OD2 ASP A 3 18.996 -8.903 6.428 1.00 35.12 O ATOM 0 H ASP A 3 15.904 -13.223 6.540 1.00 10.25 H new ATOM 0 HA ASP A 3 16.603 -10.701 7.810 1.00 73.51 H new ATOM 0 HB2 ASP A 3 18.534 -11.337 6.184 1.00 51.42 H new ATOM 0 HB3 ASP A 3 17.357 -11.066 4.914 1.00 51.42 H new ATOM 39 N SER A 4 14.826 -9.880 5.854 1.00 53.33 N ATOM 40 CA SER A 4 13.577 -9.585 5.236 1.00 22.31 C ATOM 41 C SER A 4 13.857 -8.770 3.979 1.00 11.54 C ATOM 42 O SER A 4 13.721 -7.558 3.965 1.00 20.55 O ATOM 43 CB SER A 4 12.691 -8.826 6.220 1.00 54.41 C ATOM 44 OG SER A 4 12.614 -9.515 7.469 1.00 63.34 O ATOM 0 H SER A 4 15.437 -9.071 5.965 1.00 53.33 H new ATOM 0 HA SER A 4 13.047 -10.495 4.956 1.00 22.31 H new ATOM 0 HB2 SER A 4 13.089 -7.824 6.377 1.00 54.41 H new ATOM 0 HB3 SER A 4 11.691 -8.710 5.801 1.00 54.41 H new ATOM 0 HG SER A 4 12.043 -9.011 8.086 1.00 63.34 H new ATOM 50 N VAL A 5 14.299 -9.462 2.946 1.00 2.14 N ATOM 51 CA VAL A 5 14.763 -8.860 1.712 1.00 55.45 C ATOM 52 C VAL A 5 13.665 -8.042 1.016 1.00 44.34 C ATOM 53 O VAL A 5 13.868 -6.875 0.664 1.00 64.21 O ATOM 54 CB VAL A 5 15.291 -9.946 0.755 1.00 52.33 C ATOM 55 CG1 VAL A 5 15.861 -9.323 -0.482 1.00 5.30 C ATOM 56 CG2 VAL A 5 16.336 -10.808 1.440 1.00 54.40 C ATOM 0 H VAL A 5 14.346 -10.481 2.942 1.00 2.14 H new ATOM 0 HA VAL A 5 15.570 -8.175 1.972 1.00 55.45 H new ATOM 0 HB VAL A 5 14.454 -10.583 0.471 1.00 52.33 H new ATOM 0 HG11 VAL A 5 16.229 -10.105 -1.147 1.00 5.30 H new ATOM 0 HG12 VAL A 5 15.086 -8.749 -0.991 1.00 5.30 H new ATOM 0 HG13 VAL A 5 16.683 -8.661 -0.210 1.00 5.30 H new ATOM 0 HG21 VAL A 5 16.694 -11.567 0.745 1.00 54.40 H new ATOM 0 HG22 VAL A 5 17.171 -10.184 1.757 1.00 54.40 H new ATOM 0 HG23 VAL A 5 15.894 -11.293 2.311 1.00 54.40 H new ATOM 66 N GLU A 6 12.505 -8.639 0.864 1.00 51.01 N ATOM 67 CA GLU A 6 11.377 -7.980 0.209 1.00 73.33 C ATOM 68 C GLU A 6 10.913 -6.796 1.032 1.00 13.15 C ATOM 69 O GLU A 6 10.533 -5.751 0.500 1.00 13.12 O ATOM 70 CB GLU A 6 10.241 -8.964 0.023 1.00 43.33 C ATOM 71 CG GLU A 6 10.588 -10.119 -0.886 1.00 11.50 C ATOM 72 CD GLU A 6 10.851 -9.673 -2.295 1.00 32.01 C ATOM 73 OE1 GLU A 6 9.880 -9.438 -3.037 1.00 23.33 O ATOM 74 OE2 GLU A 6 12.028 -9.572 -2.705 1.00 12.02 O ATOM 0 H GLU A 6 12.308 -9.587 1.185 1.00 51.01 H new ATOM 0 HA GLU A 6 11.697 -7.621 -0.769 1.00 73.33 H new ATOM 0 HB2 GLU A 6 9.946 -9.354 0.997 1.00 43.33 H new ATOM 0 HB3 GLU A 6 9.378 -8.438 -0.385 1.00 43.33 H new ATOM 0 HG2 GLU A 6 11.468 -10.632 -0.499 1.00 11.50 H new ATOM 0 HG3 GLU A 6 9.771 -10.841 -0.882 1.00 11.50 H new ATOM 81 N PHE A 7 11.001 -6.962 2.326 1.00 31.24 N ATOM 82 CA PHE A 7 10.645 -5.956 3.280 1.00 2.44 C ATOM 83 C PHE A 7 11.607 -4.803 3.158 1.00 21.03 C ATOM 84 O PHE A 7 11.185 -3.698 3.121 1.00 31.44 O ATOM 85 CB PHE A 7 10.666 -6.589 4.657 1.00 61.22 C ATOM 86 CG PHE A 7 10.281 -5.731 5.815 1.00 74.32 C ATOM 87 CD1 PHE A 7 8.967 -5.360 6.004 1.00 51.04 C ATOM 88 CD2 PHE A 7 11.232 -5.330 6.732 1.00 21.13 C ATOM 89 CE1 PHE A 7 8.601 -4.591 7.093 1.00 32.12 C ATOM 90 CE2 PHE A 7 10.880 -4.567 7.828 1.00 21.12 C ATOM 91 CZ PHE A 7 9.560 -4.195 8.009 1.00 43.14 C ATOM 0 H PHE A 7 11.332 -7.827 2.753 1.00 31.24 H new ATOM 0 HA PHE A 7 9.645 -5.562 3.101 1.00 2.44 H new ATOM 0 HB2 PHE A 7 10.000 -7.451 4.641 1.00 61.22 H new ATOM 0 HB3 PHE A 7 11.672 -6.967 4.838 1.00 61.22 H new ATOM 0 HD1 PHE A 7 8.216 -5.673 5.294 1.00 51.04 H new ATOM 0 HD2 PHE A 7 12.264 -5.616 6.591 1.00 21.13 H new ATOM 0 HE1 PHE A 7 7.570 -4.300 7.229 1.00 32.12 H new ATOM 0 HE2 PHE A 7 11.632 -4.262 8.541 1.00 21.12 H new ATOM 0 HZ PHE A 7 9.278 -3.597 8.863 1.00 43.14 H new ATOM 101 N ASN A 8 12.894 -5.094 3.020 1.00 60.22 N ATOM 102 CA ASN A 8 13.937 -4.060 2.815 1.00 45.33 C ATOM 103 C ASN A 8 13.632 -3.229 1.585 1.00 22.22 C ATOM 104 O ASN A 8 13.740 -1.999 1.616 1.00 13.43 O ATOM 105 CB ASN A 8 15.328 -4.692 2.653 1.00 2.54 C ATOM 106 CG ASN A 8 15.865 -5.316 3.917 1.00 20.51 C ATOM 107 OD1 ASN A 8 15.590 -4.844 5.020 1.00 54.22 O ATOM 108 ND2 ASN A 8 16.633 -6.370 3.768 1.00 10.12 N ATOM 0 H ASN A 8 13.258 -6.046 3.045 1.00 60.22 H new ATOM 0 HA ASN A 8 13.936 -3.423 3.700 1.00 45.33 H new ATOM 0 HB2 ASN A 8 15.282 -5.453 1.874 1.00 2.54 H new ATOM 0 HB3 ASN A 8 16.026 -3.928 2.311 1.00 2.54 H new ATOM 0 HD21 ASN A 8 17.029 -6.832 4.586 1.00 10.12 H new ATOM 0 HD22 ASN A 8 16.834 -6.727 2.834 1.00 10.12 H new ATOM 115 N ASN A 9 13.234 -3.905 0.510 1.00 64.33 N ATOM 116 CA ASN A 9 12.835 -3.234 -0.737 1.00 2.33 C ATOM 117 C ASN A 9 11.676 -2.323 -0.453 1.00 43.30 C ATOM 118 O ASN A 9 11.653 -1.157 -0.855 1.00 63.54 O ATOM 119 CB ASN A 9 12.402 -4.248 -1.804 1.00 33.30 C ATOM 120 CG ASN A 9 13.506 -5.166 -2.244 1.00 62.31 C ATOM 121 OD1 ASN A 9 14.675 -4.792 -2.259 1.00 40.32 O ATOM 122 ND2 ASN A 9 13.158 -6.374 -2.607 1.00 53.11 N ATOM 0 H ASN A 9 13.177 -4.923 0.472 1.00 64.33 H new ATOM 0 HA ASN A 9 13.693 -2.675 -1.111 1.00 2.33 H new ATOM 0 HB2 ASN A 9 11.578 -4.845 -1.413 1.00 33.30 H new ATOM 0 HB3 ASN A 9 12.021 -3.709 -2.672 1.00 33.30 H new ATOM 0 HD21 ASN A 9 13.868 -7.038 -2.915 1.00 53.11 H new ATOM 0 HD22 ASN A 9 12.177 -6.651 -2.582 1.00 53.11 H new ATOM 129 N ALA A 10 10.728 -2.855 0.285 1.00 72.33 N ATOM 130 CA ALA A 10 9.555 -2.133 0.670 1.00 75.44 C ATOM 131 C ALA A 10 9.908 -0.973 1.597 1.00 42.31 C ATOM 132 O ALA A 10 9.315 0.073 1.499 1.00 63.11 O ATOM 133 CB ALA A 10 8.536 -3.085 1.294 1.00 22.53 C ATOM 0 H ALA A 10 10.758 -3.813 0.634 1.00 72.33 H new ATOM 0 HA ALA A 10 9.098 -1.696 -0.218 1.00 75.44 H new ATOM 0 HB1 ALA A 10 7.646 -2.526 1.584 1.00 22.53 H new ATOM 0 HB2 ALA A 10 8.263 -3.852 0.569 1.00 22.53 H new ATOM 0 HB3 ALA A 10 8.971 -3.557 2.175 1.00 22.53 H new ATOM 139 N ILE A 11 10.918 -1.147 2.449 1.00 22.14 N ATOM 140 CA ILE A 11 11.344 -0.101 3.373 1.00 62.40 C ATOM 141 C ILE A 11 11.845 1.109 2.622 1.00 44.34 C ATOM 142 O ILE A 11 11.566 2.225 3.010 1.00 51.10 O ATOM 143 CB ILE A 11 12.447 -0.548 4.373 1.00 62.32 C ATOM 144 CG1 ILE A 11 12.024 -1.779 5.157 1.00 54.22 C ATOM 145 CG2 ILE A 11 12.800 0.579 5.340 1.00 52.52 C ATOM 146 CD1 ILE A 11 10.604 -1.767 5.669 1.00 14.35 C ATOM 0 H ILE A 11 11.458 -2.009 2.517 1.00 22.14 H new ATOM 0 HA ILE A 11 10.453 0.140 3.952 1.00 62.40 H new ATOM 0 HB ILE A 11 13.329 -0.799 3.783 1.00 62.32 H new ATOM 0 HG12 ILE A 11 12.156 -2.655 4.522 1.00 54.22 H new ATOM 0 HG13 ILE A 11 12.697 -1.896 6.006 1.00 54.22 H new ATOM 0 HG21 ILE A 11 13.574 0.239 6.028 1.00 52.52 H new ATOM 0 HG22 ILE A 11 13.166 1.439 4.779 1.00 52.52 H new ATOM 0 HG23 ILE A 11 11.913 0.865 5.905 1.00 52.52 H new ATOM 0 HD11 ILE A 11 10.406 -2.690 6.214 1.00 14.35 H new ATOM 0 HD12 ILE A 11 10.465 -0.916 6.335 1.00 14.35 H new ATOM 0 HD13 ILE A 11 9.915 -1.686 4.828 1.00 14.35 H new ATOM 158 N SER A 12 12.559 0.881 1.529 1.00 4.04 N ATOM 159 CA SER A 12 13.076 1.974 0.720 1.00 41.24 C ATOM 160 C SER A 12 11.909 2.778 0.135 1.00 61.10 C ATOM 161 O SER A 12 11.935 4.020 0.116 1.00 55.23 O ATOM 162 CB SER A 12 13.952 1.414 -0.388 1.00 43.42 C ATOM 163 OG SER A 12 14.933 0.537 0.153 1.00 34.35 O ATOM 0 H SER A 12 12.793 -0.050 1.183 1.00 4.04 H new ATOM 0 HA SER A 12 13.679 2.639 1.339 1.00 41.24 H new ATOM 0 HB2 SER A 12 13.337 0.880 -1.112 1.00 43.42 H new ATOM 0 HB3 SER A 12 14.439 2.229 -0.923 1.00 43.42 H new ATOM 0 HG SER A 12 15.489 0.182 -0.571 1.00 34.35 H new ATOM 169 N TYR A 13 10.880 2.055 -0.292 1.00 43.13 N ATOM 170 CA TYR A 13 9.668 2.649 -0.806 1.00 42.21 C ATOM 171 C TYR A 13 8.908 3.361 0.318 1.00 44.25 C ATOM 172 O TYR A 13 8.443 4.485 0.150 1.00 75.43 O ATOM 173 CB TYR A 13 8.798 1.573 -1.485 1.00 5.21 C ATOM 174 CG TYR A 13 7.428 2.057 -1.905 1.00 41.10 C ATOM 175 CD1 TYR A 13 7.287 3.070 -2.837 1.00 30.30 C ATOM 176 CD2 TYR A 13 6.278 1.500 -1.360 1.00 45.30 C ATOM 177 CE1 TYR A 13 6.044 3.520 -3.210 1.00 32.14 C ATOM 178 CE2 TYR A 13 5.026 1.944 -1.735 1.00 22.20 C ATOM 179 CZ TYR A 13 4.918 2.957 -2.660 1.00 52.54 C ATOM 180 OH TYR A 13 3.680 3.416 -3.033 1.00 60.13 O ATOM 0 H TYR A 13 10.871 1.035 -0.288 1.00 43.13 H new ATOM 0 HA TYR A 13 9.924 3.396 -1.558 1.00 42.21 H new ATOM 0 HB2 TYR A 13 9.323 1.198 -2.363 1.00 5.21 H new ATOM 0 HB3 TYR A 13 8.680 0.732 -0.801 1.00 5.21 H new ATOM 0 HD1 TYR A 13 8.168 3.514 -3.278 1.00 30.30 H new ATOM 0 HD2 TYR A 13 6.365 0.707 -0.632 1.00 45.30 H new ATOM 0 HE1 TYR A 13 5.952 4.315 -3.935 1.00 32.14 H new ATOM 0 HE2 TYR A 13 4.139 1.500 -1.306 1.00 22.20 H new ATOM 0 HH TYR A 13 3.651 3.526 -4.006 1.00 60.13 H new ATOM 190 N VAL A 14 8.814 2.711 1.459 1.00 1.23 N ATOM 191 CA VAL A 14 8.148 3.272 2.612 1.00 51.40 C ATOM 192 C VAL A 14 8.858 4.530 3.101 1.00 64.23 C ATOM 193 O VAL A 14 8.219 5.544 3.290 1.00 73.21 O ATOM 194 CB VAL A 14 7.985 2.241 3.769 1.00 63.21 C ATOM 195 CG1 VAL A 14 7.414 2.908 5.004 1.00 21.11 C ATOM 196 CG2 VAL A 14 7.067 1.106 3.344 1.00 12.41 C ATOM 0 H VAL A 14 9.198 1.778 1.612 1.00 1.23 H new ATOM 0 HA VAL A 14 7.144 3.547 2.288 1.00 51.40 H new ATOM 0 HB VAL A 14 8.972 1.841 4.002 1.00 63.21 H new ATOM 0 HG11 VAL A 14 7.308 2.171 5.800 1.00 21.11 H new ATOM 0 HG12 VAL A 14 8.085 3.702 5.332 1.00 21.11 H new ATOM 0 HG13 VAL A 14 6.437 3.332 4.770 1.00 21.11 H new ATOM 0 HG21 VAL A 14 6.964 0.395 4.164 1.00 12.41 H new ATOM 0 HG22 VAL A 14 6.087 1.508 3.087 1.00 12.41 H new ATOM 0 HG23 VAL A 14 7.491 0.601 2.476 1.00 12.41 H new ATOM 206 N ASN A 15 10.182 4.464 3.276 1.00 61.31 N ATOM 207 CA ASN A 15 10.993 5.602 3.712 1.00 64.03 C ATOM 208 C ASN A 15 10.799 6.789 2.785 1.00 1.23 C ATOM 209 O ASN A 15 10.767 7.946 3.223 1.00 35.11 O ATOM 210 CB ASN A 15 12.464 5.215 3.713 1.00 11.12 C ATOM 211 CG ASN A 15 13.294 6.212 4.464 1.00 51.04 C ATOM 212 OD1 ASN A 15 13.827 7.164 3.899 1.00 51.02 O ATOM 213 ND2 ASN A 15 13.381 6.024 5.739 1.00 11.35 N ATOM 0 H ASN A 15 10.723 3.614 3.118 1.00 61.31 H new ATOM 0 HA ASN A 15 10.677 5.879 4.718 1.00 64.03 H new ATOM 0 HB2 ASN A 15 12.582 4.229 4.163 1.00 11.12 H new ATOM 0 HB3 ASN A 15 12.823 5.141 2.686 1.00 11.12 H new ATOM 0 HD21 ASN A 15 13.908 6.679 6.316 1.00 11.35 H new ATOM 0 HD22 ASN A 15 12.923 5.220 6.168 1.00 11.35 H new ATOM 220 N LYS A 16 10.663 6.485 1.513 1.00 60.40 N ATOM 221 CA LYS A 16 10.409 7.458 0.484 1.00 75.04 C ATOM 222 C LYS A 16 9.074 8.152 0.770 1.00 0.44 C ATOM 223 O LYS A 16 9.000 9.381 0.795 1.00 65.12 O ATOM 224 CB LYS A 16 10.383 6.723 -0.845 1.00 71.13 C ATOM 225 CG LYS A 16 10.221 7.553 -2.072 1.00 11.01 C ATOM 226 CD LYS A 16 10.345 6.647 -3.275 1.00 32.05 C ATOM 227 CE LYS A 16 10.154 7.382 -4.570 1.00 42.01 C ATOM 228 NZ LYS A 16 10.356 6.488 -5.721 1.00 2.02 N ATOM 0 H LYS A 16 10.728 5.530 1.161 1.00 60.40 H new ATOM 0 HA LYS A 16 11.182 8.226 0.455 1.00 75.04 H new ATOM 0 HB2 LYS A 16 11.310 6.158 -0.938 1.00 71.13 H new ATOM 0 HB3 LYS A 16 9.569 5.998 -0.816 1.00 71.13 H new ATOM 0 HG2 LYS A 16 9.251 8.050 -2.069 1.00 11.01 H new ATOM 0 HG3 LYS A 16 10.980 8.335 -2.105 1.00 11.01 H new ATOM 0 HD2 LYS A 16 11.327 6.175 -3.270 1.00 32.05 H new ATOM 0 HD3 LYS A 16 9.607 5.848 -3.202 1.00 32.05 H new ATOM 0 HE2 LYS A 16 9.150 7.806 -4.607 1.00 42.01 H new ATOM 0 HE3 LYS A 16 10.854 8.215 -4.626 1.00 42.01 H new ATOM 0 HZ1 LYS A 16 9.671 6.723 -6.467 1.00 2.02 H new ATOM 0 HZ2 LYS A 16 11.322 6.607 -6.088 1.00 2.02 H new ATOM 0 HZ3 LYS A 16 10.219 5.501 -5.422 1.00 2.02 H new ATOM 242 N ILE A 17 8.047 7.351 1.046 1.00 64.31 N ATOM 243 CA ILE A 17 6.734 7.841 1.412 1.00 72.20 C ATOM 244 C ILE A 17 6.828 8.694 2.682 1.00 64.11 C ATOM 245 O ILE A 17 6.359 9.835 2.706 1.00 32.11 O ATOM 246 CB ILE A 17 5.764 6.659 1.681 1.00 4.33 C ATOM 247 CG1 ILE A 17 5.535 5.820 0.420 1.00 45.22 C ATOM 248 CG2 ILE A 17 4.454 7.153 2.252 1.00 62.24 C ATOM 249 CD1 ILE A 17 4.655 4.608 0.656 1.00 3.40 C ATOM 0 H ILE A 17 8.111 6.333 1.020 1.00 64.31 H new ATOM 0 HA ILE A 17 6.355 8.441 0.585 1.00 72.20 H new ATOM 0 HB ILE A 17 6.233 6.012 2.422 1.00 4.33 H new ATOM 0 HG12 ILE A 17 5.080 6.447 -0.347 1.00 45.22 H new ATOM 0 HG13 ILE A 17 6.499 5.490 0.032 1.00 45.22 H new ATOM 0 HG21 ILE A 17 3.793 6.305 2.431 1.00 62.24 H new ATOM 0 HG22 ILE A 17 4.640 7.673 3.192 1.00 62.24 H new ATOM 0 HG23 ILE A 17 3.984 7.837 1.545 1.00 62.24 H new ATOM 0 HD11 ILE A 17 4.534 4.059 -0.278 1.00 3.40 H new ATOM 0 HD12 ILE A 17 5.119 3.961 1.400 1.00 3.40 H new ATOM 0 HD13 ILE A 17 3.678 4.932 1.016 1.00 3.40 H new ATOM 261 N LYS A 18 7.476 8.134 3.715 1.00 44.45 N ATOM 262 CA LYS A 18 7.635 8.779 5.005 1.00 24.41 C ATOM 263 C LYS A 18 8.222 10.164 4.843 1.00 10.40 C ATOM 264 O LYS A 18 7.775 11.082 5.456 1.00 2.44 O ATOM 265 CB LYS A 18 8.574 7.977 5.908 1.00 22.35 C ATOM 266 CG LYS A 18 8.164 6.541 6.114 1.00 10.25 C ATOM 267 CD LYS A 18 9.025 5.823 7.102 1.00 44.22 C ATOM 268 CE LYS A 18 8.688 6.305 8.448 1.00 53.33 C ATOM 269 NZ LYS A 18 9.420 5.598 9.518 1.00 3.01 N ATOM 0 H LYS A 18 7.905 7.210 3.666 1.00 44.45 H new ATOM 0 HA LYS A 18 6.644 8.838 5.456 1.00 24.41 H new ATOM 0 HB2 LYS A 18 9.576 7.998 5.480 1.00 22.35 H new ATOM 0 HB3 LYS A 18 8.632 8.468 6.879 1.00 22.35 H new ATOM 0 HG2 LYS A 18 7.128 6.510 6.453 1.00 10.25 H new ATOM 0 HG3 LYS A 18 8.203 6.017 5.159 1.00 10.25 H new ATOM 0 HD2 LYS A 18 8.865 4.747 7.033 1.00 44.22 H new ATOM 0 HD3 LYS A 18 10.079 6.002 6.888 1.00 44.22 H new ATOM 0 HE2 LYS A 18 8.906 7.371 8.511 1.00 53.33 H new ATOM 0 HE3 LYS A 18 7.617 6.189 8.611 1.00 53.33 H new ATOM 0 HZ1 LYS A 18 9.140 5.982 10.443 1.00 3.01 H new ATOM 0 HZ2 LYS A 18 9.194 4.584 9.482 1.00 3.01 H new ATOM 0 HZ3 LYS A 18 10.443 5.729 9.384 1.00 3.01 H new ATOM 283 N THR A 19 9.216 10.265 3.986 1.00 52.22 N ATOM 284 CA THR A 19 9.949 11.467 3.687 1.00 53.13 C ATOM 285 C THR A 19 9.109 12.482 2.880 1.00 0.35 C ATOM 286 O THR A 19 9.106 13.682 3.172 1.00 72.50 O ATOM 287 CB THR A 19 11.176 11.014 2.873 1.00 21.44 C ATOM 288 OG1 THR A 19 12.159 10.377 3.696 1.00 64.34 O ATOM 289 CG2 THR A 19 11.756 12.083 1.990 1.00 1.21 C ATOM 0 H THR A 19 9.549 9.463 3.452 1.00 52.22 H new ATOM 0 HA THR A 19 10.229 11.982 4.606 1.00 53.13 H new ATOM 0 HB THR A 19 10.804 10.260 2.179 1.00 21.44 H new ATOM 0 HG1 THR A 19 11.962 9.419 3.759 1.00 64.34 H new ATOM 0 HG21 THR A 19 12.616 11.684 1.452 1.00 1.21 H new ATOM 0 HG22 THR A 19 11.002 12.414 1.276 1.00 1.21 H new ATOM 0 HG23 THR A 19 12.072 12.928 2.601 1.00 1.21 H new ATOM 297 N ARG A 20 8.408 12.000 1.900 1.00 74.44 N ATOM 298 CA ARG A 20 7.638 12.846 1.010 1.00 60.22 C ATOM 299 C ARG A 20 6.429 13.456 1.691 1.00 51.03 C ATOM 300 O ARG A 20 5.882 14.474 1.245 1.00 11.23 O ATOM 301 CB ARG A 20 7.236 12.041 -0.202 1.00 12.42 C ATOM 302 CG ARG A 20 8.381 11.811 -1.183 1.00 21.23 C ATOM 303 CD ARG A 20 8.897 13.113 -1.789 1.00 74.43 C ATOM 304 NE ARG A 20 7.824 13.941 -2.360 1.00 30.32 N ATOM 305 CZ ARG A 20 7.942 14.730 -3.432 1.00 33.44 C ATOM 306 NH1 ARG A 20 9.016 14.660 -4.212 1.00 31.33 N ATOM 307 NH2 ARG A 20 6.957 15.569 -3.740 1.00 61.02 N ATOM 0 H ARG A 20 8.347 11.005 1.685 1.00 74.44 H new ATOM 0 HA ARG A 20 8.263 13.685 0.704 1.00 60.22 H new ATOM 0 HB2 ARG A 20 6.848 11.076 0.124 1.00 12.42 H new ATOM 0 HB3 ARG A 20 6.424 12.554 -0.717 1.00 12.42 H new ATOM 0 HG2 ARG A 20 9.198 11.303 -0.671 1.00 21.23 H new ATOM 0 HG3 ARG A 20 8.045 11.150 -1.982 1.00 21.23 H new ATOM 0 HD2 ARG A 20 9.420 13.683 -1.021 1.00 74.43 H new ATOM 0 HD3 ARG A 20 9.625 12.883 -2.567 1.00 74.43 H new ATOM 0 HE ARG A 20 6.914 13.910 -1.900 1.00 30.32 H new ATOM 0 HH11 ARG A 20 9.762 13.999 -3.995 1.00 31.33 H new ATOM 0 HH12 ARG A 20 9.094 15.268 -5.028 1.00 31.33 H new ATOM 0 HH21 ARG A 20 6.119 15.607 -3.160 1.00 61.02 H new ATOM 0 HH22 ARG A 20 7.040 16.175 -4.557 1.00 61.02 H new ATOM 321 N PHE A 21 6.021 12.840 2.743 1.00 64.15 N ATOM 322 CA PHE A 21 4.894 13.275 3.511 1.00 2.43 C ATOM 323 C PHE A 21 5.334 13.332 4.965 1.00 25.41 C ATOM 324 O PHE A 21 4.567 13.067 5.879 1.00 73.22 O ATOM 325 CB PHE A 21 3.746 12.278 3.309 1.00 2.21 C ATOM 326 CG PHE A 21 3.357 12.083 1.852 1.00 60.33 C ATOM 327 CD1 PHE A 21 2.439 12.919 1.242 1.00 60.12 C ATOM 328 CD2 PHE A 21 3.906 11.053 1.106 1.00 73.24 C ATOM 329 CE1 PHE A 21 2.080 12.733 -0.079 1.00 22.23 C ATOM 330 CE2 PHE A 21 3.553 10.857 -0.202 1.00 61.45 C ATOM 331 CZ PHE A 21 2.638 11.699 -0.802 1.00 32.02 C ATOM 0 H PHE A 21 6.468 11.999 3.108 1.00 64.15 H new ATOM 0 HA PHE A 21 4.542 14.259 3.201 1.00 2.43 H new ATOM 0 HB2 PHE A 21 4.034 11.315 3.731 1.00 2.21 H new ATOM 0 HB3 PHE A 21 2.875 12.623 3.866 1.00 2.21 H new ATOM 0 HD1 PHE A 21 1.997 13.727 1.806 1.00 60.12 H new ATOM 0 HD2 PHE A 21 4.626 10.392 1.565 1.00 73.24 H new ATOM 0 HE1 PHE A 21 1.365 13.395 -0.544 1.00 22.23 H new ATOM 0 HE2 PHE A 21 3.990 10.045 -0.764 1.00 61.45 H new ATOM 0 HZ PHE A 21 2.360 11.549 -1.835 1.00 32.02 H new ATOM 341 N LEU A 22 6.580 13.726 5.151 1.00 24.31 N ATOM 342 CA LEU A 22 7.251 13.730 6.439 1.00 54.35 C ATOM 343 C LEU A 22 6.601 14.692 7.424 1.00 61.05 C ATOM 344 O LEU A 22 6.532 14.421 8.616 1.00 62.05 O ATOM 345 CB LEU A 22 8.746 14.048 6.231 1.00 63.33 C ATOM 346 CG LEU A 22 9.757 13.089 6.829 1.00 11.41 C ATOM 347 CD1 LEU A 22 11.172 13.560 6.565 1.00 23.10 C ATOM 348 CD2 LEU A 22 9.524 12.927 8.277 1.00 42.44 C ATOM 0 H LEU A 22 7.170 14.061 4.390 1.00 24.31 H new ATOM 0 HA LEU A 22 7.156 12.739 6.884 1.00 54.35 H new ATOM 0 HB2 LEU A 22 8.931 14.106 5.158 1.00 63.33 H new ATOM 0 HB3 LEU A 22 8.939 15.039 6.642 1.00 63.33 H new ATOM 0 HG LEU A 22 9.629 12.119 6.349 1.00 11.41 H new ATOM 0 HD11 LEU A 22 11.878 12.855 7.004 1.00 23.10 H new ATOM 0 HD12 LEU A 22 11.341 13.620 5.490 1.00 23.10 H new ATOM 0 HD13 LEU A 22 11.317 14.544 7.011 1.00 23.10 H new ATOM 0 HD21 LEU A 22 10.259 12.235 8.689 1.00 42.44 H new ATOM 0 HD22 LEU A 22 9.619 13.894 8.771 1.00 42.44 H new ATOM 0 HD23 LEU A 22 8.522 12.532 8.442 1.00 42.44 H new ATOM 360 N ASP A 23 6.092 15.788 6.927 1.00 71.35 N ATOM 361 CA ASP A 23 5.442 16.761 7.796 1.00 73.42 C ATOM 362 C ASP A 23 3.965 16.411 7.994 1.00 22.04 C ATOM 363 O ASP A 23 3.260 17.013 8.810 1.00 71.54 O ATOM 364 CB ASP A 23 5.596 18.184 7.239 1.00 41.03 C ATOM 365 CG ASP A 23 5.038 19.244 8.170 1.00 43.44 C ATOM 366 OD1 ASP A 23 5.531 19.368 9.312 1.00 35.52 O ATOM 367 OD2 ASP A 23 4.127 19.998 7.774 1.00 62.42 O ATOM 0 H ASP A 23 6.109 16.037 5.938 1.00 71.35 H new ATOM 0 HA ASP A 23 5.933 16.725 8.769 1.00 73.42 H new ATOM 0 HB2 ASP A 23 6.652 18.386 7.058 1.00 41.03 H new ATOM 0 HB3 ASP A 23 5.089 18.249 6.276 1.00 41.03 H new ATOM 372 N HIS A 24 3.508 15.404 7.285 1.00 51.33 N ATOM 373 CA HIS A 24 2.126 15.009 7.345 1.00 51.25 C ATOM 374 C HIS A 24 1.999 13.493 7.581 1.00 44.11 C ATOM 375 O HIS A 24 1.685 12.735 6.649 1.00 62.03 O ATOM 376 CB HIS A 24 1.390 15.404 6.056 1.00 55.52 C ATOM 377 CG HIS A 24 1.352 16.868 5.746 1.00 43.21 C ATOM 378 ND1 HIS A 24 1.050 17.853 6.656 1.00 35.54 N ATOM 379 CD2 HIS A 24 1.595 17.494 4.586 1.00 70.02 C ATOM 380 CE1 HIS A 24 1.114 19.028 6.036 1.00 60.51 C ATOM 381 NE2 HIS A 24 1.447 18.873 4.759 1.00 30.50 N ATOM 0 H HIS A 24 4.082 14.842 6.656 1.00 51.33 H new ATOM 0 HA HIS A 24 1.666 15.531 8.184 1.00 51.25 H new ATOM 0 HB2 HIS A 24 1.860 14.887 5.219 1.00 55.52 H new ATOM 0 HB3 HIS A 24 0.365 15.039 6.120 1.00 55.52 H new ATOM 0 HD2 HIS A 24 1.864 17.008 3.660 1.00 70.02 H new ATOM 0 HE1 HIS A 24 0.921 19.980 6.507 1.00 60.51 H new ATOM 0 HE2 HIS A 24 1.568 19.603 4.057 1.00 30.50 H new ATOM 389 N PRO A 25 2.247 13.020 8.831 1.00 63.23 N ATOM 390 CA PRO A 25 2.183 11.583 9.177 1.00 24.21 C ATOM 391 C PRO A 25 0.782 11.023 8.979 1.00 24.04 C ATOM 392 O PRO A 25 0.597 9.825 8.796 1.00 45.51 O ATOM 393 CB PRO A 25 2.557 11.547 10.664 1.00 33.14 C ATOM 394 CG PRO A 25 3.271 12.830 10.903 1.00 43.02 C ATOM 395 CD PRO A 25 2.625 13.831 10.001 1.00 1.31 C ATOM 0 HA PRO A 25 2.840 10.982 8.549 1.00 24.21 H new ATOM 0 HB2 PRO A 25 1.671 11.463 11.294 1.00 33.14 H new ATOM 0 HB3 PRO A 25 3.192 10.691 10.892 1.00 33.14 H new ATOM 0 HG2 PRO A 25 3.189 13.134 11.946 1.00 43.02 H new ATOM 0 HG3 PRO A 25 4.334 12.733 10.682 1.00 43.02 H new ATOM 0 HD2 PRO A 25 1.757 14.296 10.468 1.00 1.31 H new ATOM 0 HD3 PRO A 25 3.310 14.635 9.732 1.00 1.31 H new ATOM 403 N GLU A 26 -0.190 11.914 9.002 1.00 73.14 N ATOM 404 CA GLU A 26 -1.584 11.605 8.769 1.00 22.13 C ATOM 405 C GLU A 26 -1.771 10.870 7.434 1.00 3.14 C ATOM 406 O GLU A 26 -2.504 9.907 7.359 1.00 75.42 O ATOM 407 CB GLU A 26 -2.378 12.905 8.788 1.00 72.23 C ATOM 408 CG GLU A 26 -1.916 13.894 7.741 1.00 24.24 C ATOM 409 CD GLU A 26 -2.550 15.229 7.859 1.00 73.22 C ATOM 410 OE1 GLU A 26 -2.071 16.051 8.658 1.00 64.32 O ATOM 411 OE2 GLU A 26 -3.524 15.503 7.140 1.00 31.43 O ATOM 0 H GLU A 26 -0.024 12.903 9.189 1.00 73.14 H new ATOM 0 HA GLU A 26 -1.946 10.941 9.554 1.00 22.13 H new ATOM 0 HB2 GLU A 26 -3.433 12.682 8.629 1.00 72.23 H new ATOM 0 HB3 GLU A 26 -2.293 13.362 9.774 1.00 72.23 H new ATOM 0 HG2 GLU A 26 -0.834 14.008 7.814 1.00 24.24 H new ATOM 0 HG3 GLU A 26 -2.128 13.488 6.752 1.00 24.24 H new ATOM 418 N ILE A 27 -1.045 11.309 6.419 1.00 32.44 N ATOM 419 CA ILE A 27 -1.103 10.753 5.076 1.00 4.11 C ATOM 420 C ILE A 27 -0.567 9.339 5.094 1.00 51.42 C ATOM 421 O ILE A 27 -1.188 8.413 4.567 1.00 42.02 O ATOM 422 CB ILE A 27 -0.271 11.654 4.131 1.00 73.53 C ATOM 423 CG1 ILE A 27 -0.911 13.054 4.114 1.00 14.20 C ATOM 424 CG2 ILE A 27 -0.137 11.064 2.726 1.00 13.11 C ATOM 425 CD1 ILE A 27 -0.316 14.009 3.124 1.00 13.25 C ATOM 0 H ILE A 27 -0.383 12.080 6.508 1.00 32.44 H new ATOM 0 HA ILE A 27 -2.132 10.721 4.717 1.00 4.11 H new ATOM 0 HB ILE A 27 0.750 11.723 4.507 1.00 73.53 H new ATOM 0 HG12 ILE A 27 -1.975 12.948 3.901 1.00 14.20 H new ATOM 0 HG13 ILE A 27 -0.827 13.488 5.110 1.00 14.20 H new ATOM 0 HG21 ILE A 27 0.455 11.735 2.104 1.00 13.11 H new ATOM 0 HG22 ILE A 27 0.356 10.094 2.784 1.00 13.11 H new ATOM 0 HG23 ILE A 27 -1.127 10.942 2.287 1.00 13.11 H new ATOM 0 HD11 ILE A 27 -0.832 14.967 3.187 1.00 13.25 H new ATOM 0 HD12 ILE A 27 0.742 14.152 3.346 1.00 13.25 H new ATOM 0 HD13 ILE A 27 -0.424 13.604 2.118 1.00 13.25 H new ATOM 437 N TYR A 28 0.545 9.186 5.773 1.00 73.21 N ATOM 438 CA TYR A 28 1.207 7.910 5.958 1.00 71.31 C ATOM 439 C TYR A 28 0.231 6.938 6.630 1.00 73.55 C ATOM 440 O TYR A 28 -0.026 5.840 6.142 1.00 63.55 O ATOM 441 CB TYR A 28 2.411 8.138 6.881 1.00 3.41 C ATOM 442 CG TYR A 28 3.327 6.960 7.051 1.00 42.53 C ATOM 443 CD1 TYR A 28 4.248 6.626 6.073 1.00 25.35 C ATOM 444 CD2 TYR A 28 3.271 6.179 8.193 1.00 54.33 C ATOM 445 CE1 TYR A 28 5.075 5.544 6.225 1.00 40.33 C ATOM 446 CE2 TYR A 28 4.102 5.093 8.356 1.00 64.23 C ATOM 447 CZ TYR A 28 4.995 4.773 7.374 1.00 4.32 C ATOM 448 OH TYR A 28 5.827 3.693 7.546 1.00 33.31 O ATOM 0 H TYR A 28 1.029 9.962 6.224 1.00 73.21 H new ATOM 0 HA TYR A 28 1.530 7.497 5.003 1.00 71.31 H new ATOM 0 HB2 TYR A 28 2.992 8.975 6.492 1.00 3.41 H new ATOM 0 HB3 TYR A 28 2.043 8.435 7.863 1.00 3.41 H new ATOM 0 HD1 TYR A 28 4.316 7.226 5.178 1.00 25.35 H new ATOM 0 HD2 TYR A 28 2.563 6.426 8.970 1.00 54.33 H new ATOM 0 HE1 TYR A 28 5.787 5.293 5.452 1.00 40.33 H new ATOM 0 HE2 TYR A 28 4.048 4.498 9.256 1.00 64.23 H new ATOM 0 HH TYR A 28 5.636 3.267 8.408 1.00 33.31 H new ATOM 458 N ARG A 29 -0.349 7.402 7.714 1.00 12.23 N ATOM 459 CA ARG A 29 -1.250 6.624 8.532 1.00 43.33 C ATOM 460 C ARG A 29 -2.558 6.281 7.817 1.00 72.02 C ATOM 461 O ARG A 29 -3.036 5.144 7.896 1.00 3.31 O ATOM 462 CB ARG A 29 -1.521 7.356 9.817 1.00 44.30 C ATOM 463 CG ARG A 29 -0.304 7.456 10.696 1.00 63.53 C ATOM 464 CD ARG A 29 -0.485 8.531 11.713 1.00 60.03 C ATOM 465 NE ARG A 29 0.674 8.637 12.603 1.00 61.32 N ATOM 466 CZ ARG A 29 0.732 9.380 13.714 1.00 43.14 C ATOM 467 NH1 ARG A 29 -0.263 10.208 14.020 1.00 13.02 N ATOM 468 NH2 ARG A 29 1.811 9.324 14.493 1.00 14.41 N ATOM 0 H ARG A 29 -0.204 8.351 8.058 1.00 12.23 H new ATOM 0 HA ARG A 29 -0.762 5.673 8.745 1.00 43.33 H new ATOM 0 HB2 ARG A 29 -1.883 8.359 9.590 1.00 44.30 H new ATOM 0 HB3 ARG A 29 -2.316 6.845 10.361 1.00 44.30 H new ATOM 0 HG2 ARG A 29 -0.127 6.502 11.193 1.00 63.53 H new ATOM 0 HG3 ARG A 29 0.576 7.666 10.088 1.00 63.53 H new ATOM 0 HD2 ARG A 29 -0.646 9.484 11.210 1.00 60.03 H new ATOM 0 HD3 ARG A 29 -1.379 8.327 12.303 1.00 60.03 H new ATOM 0 HE ARG A 29 1.505 8.100 12.355 1.00 61.32 H new ATOM 0 HH11 ARG A 29 -1.075 10.278 13.406 1.00 13.02 H new ATOM 0 HH12 ARG A 29 -0.214 10.772 14.868 1.00 13.02 H new ATOM 0 HH21 ARG A 29 2.590 8.716 14.242 1.00 14.41 H new ATOM 0 HH22 ARG A 29 1.858 9.889 15.341 1.00 14.41 H new ATOM 482 N SER A 30 -3.119 7.256 7.102 1.00 65.14 N ATOM 483 CA SER A 30 -4.368 7.064 6.367 1.00 63.24 C ATOM 484 C SER A 30 -4.183 6.019 5.279 1.00 61.31 C ATOM 485 O SER A 30 -5.124 5.353 4.865 1.00 13.42 O ATOM 486 CB SER A 30 -4.852 8.387 5.758 1.00 1.21 C ATOM 487 OG SER A 30 -5.029 9.377 6.761 1.00 14.25 O ATOM 0 H SER A 30 -2.725 8.193 7.016 1.00 65.14 H new ATOM 0 HA SER A 30 -5.126 6.713 7.067 1.00 63.24 H new ATOM 0 HB2 SER A 30 -4.130 8.737 5.020 1.00 1.21 H new ATOM 0 HB3 SER A 30 -5.793 8.226 5.232 1.00 1.21 H new ATOM 0 HG SER A 30 -4.188 9.863 6.892 1.00 14.25 H new ATOM 493 N PHE A 31 -2.989 5.934 4.770 1.00 50.22 N ATOM 494 CA PHE A 31 -2.653 4.904 3.849 1.00 5.41 C ATOM 495 C PHE A 31 -2.444 3.542 4.530 1.00 34.12 C ATOM 496 O PHE A 31 -2.912 2.516 4.026 1.00 65.43 O ATOM 497 CB PHE A 31 -1.474 5.304 2.977 1.00 64.31 C ATOM 498 CG PHE A 31 -0.792 4.125 2.371 1.00 2.20 C ATOM 499 CD1 PHE A 31 -1.364 3.457 1.311 1.00 21.23 C ATOM 500 CD2 PHE A 31 0.397 3.657 2.903 1.00 54.11 C ATOM 501 CE1 PHE A 31 -0.770 2.344 0.780 1.00 15.25 C ATOM 502 CE2 PHE A 31 1.005 2.539 2.379 1.00 60.50 C ATOM 503 CZ PHE A 31 0.421 1.877 1.313 1.00 11.23 C ATOM 0 H PHE A 31 -2.227 6.577 4.985 1.00 50.22 H new ATOM 0 HA PHE A 31 -3.512 4.775 3.191 1.00 5.41 H new ATOM 0 HB2 PHE A 31 -1.820 5.968 2.185 1.00 64.31 H new ATOM 0 HB3 PHE A 31 -0.758 5.868 3.575 1.00 64.31 H new ATOM 0 HD1 PHE A 31 -2.293 3.816 0.893 1.00 21.23 H new ATOM 0 HD2 PHE A 31 0.851 4.173 3.736 1.00 54.11 H new ATOM 0 HE1 PHE A 31 -1.228 1.831 -0.052 1.00 15.25 H new ATOM 0 HE2 PHE A 31 1.934 2.180 2.798 1.00 60.50 H new ATOM 0 HZ PHE A 31 0.892 0.999 0.898 1.00 11.23 H new ATOM 513 N LEU A 32 -1.733 3.534 5.658 1.00 74.41 N ATOM 514 CA LEU A 32 -1.419 2.306 6.394 1.00 34.31 C ATOM 515 C LEU A 32 -2.661 1.502 6.682 1.00 73.41 C ATOM 516 O LEU A 32 -2.675 0.273 6.539 1.00 34.10 O ATOM 517 CB LEU A 32 -0.744 2.640 7.710 1.00 1.14 C ATOM 518 CG LEU A 32 0.638 3.246 7.651 1.00 51.10 C ATOM 519 CD1 LEU A 32 1.100 3.523 9.057 1.00 45.40 C ATOM 520 CD2 LEU A 32 1.618 2.321 6.934 1.00 72.43 C ATOM 0 H LEU A 32 -1.358 4.379 6.089 1.00 74.41 H new ATOM 0 HA LEU A 32 -0.751 1.715 5.767 1.00 34.31 H new ATOM 0 HB2 LEU A 32 -1.390 3.329 8.254 1.00 1.14 H new ATOM 0 HB3 LEU A 32 -0.685 1.725 8.300 1.00 1.14 H new ATOM 0 HG LEU A 32 0.600 4.175 7.083 1.00 51.10 H new ATOM 0 HD11 LEU A 32 2.098 3.961 9.032 1.00 45.40 H new ATOM 0 HD12 LEU A 32 0.410 4.217 9.536 1.00 45.40 H new ATOM 0 HD13 LEU A 32 1.127 2.591 9.621 1.00 45.40 H new ATOM 0 HD21 LEU A 32 2.604 2.785 6.908 1.00 72.43 H new ATOM 0 HD22 LEU A 32 1.678 1.372 7.466 1.00 72.43 H new ATOM 0 HD23 LEU A 32 1.273 2.145 5.915 1.00 72.43 H new ATOM 532 N GLU A 33 -3.706 2.207 7.031 1.00 23.41 N ATOM 533 CA GLU A 33 -4.965 1.618 7.375 1.00 41.54 C ATOM 534 C GLU A 33 -5.564 0.837 6.190 1.00 61.22 C ATOM 535 O GLU A 33 -6.249 -0.158 6.382 1.00 52.23 O ATOM 536 CB GLU A 33 -5.901 2.697 7.922 1.00 54.03 C ATOM 537 CG GLU A 33 -6.474 3.682 6.911 1.00 51.14 C ATOM 538 CD GLU A 33 -7.204 4.822 7.601 1.00 43.43 C ATOM 539 OE1 GLU A 33 -6.560 5.615 8.322 1.00 51.42 O ATOM 540 OE2 GLU A 33 -8.442 4.939 7.443 1.00 51.52 O ATOM 0 H GLU A 33 -3.701 3.226 7.084 1.00 23.41 H new ATOM 0 HA GLU A 33 -4.818 0.880 8.164 1.00 41.54 H new ATOM 0 HB2 GLU A 33 -6.732 2.203 8.425 1.00 54.03 H new ATOM 0 HB3 GLU A 33 -5.361 3.263 8.681 1.00 54.03 H new ATOM 0 HG2 GLU A 33 -5.669 4.083 6.295 1.00 51.14 H new ATOM 0 HG3 GLU A 33 -7.159 3.162 6.241 1.00 51.14 H new ATOM 547 N ILE A 34 -5.239 1.266 4.977 1.00 31.41 N ATOM 548 CA ILE A 34 -5.679 0.632 3.766 1.00 35.32 C ATOM 549 C ILE A 34 -4.898 -0.645 3.551 1.00 21.42 C ATOM 550 O ILE A 34 -5.469 -1.673 3.257 1.00 42.02 O ATOM 551 CB ILE A 34 -5.438 1.569 2.569 1.00 2.31 C ATOM 552 CG1 ILE A 34 -6.224 2.863 2.769 1.00 32.01 C ATOM 553 CG2 ILE A 34 -5.786 0.880 1.245 1.00 11.42 C ATOM 554 CD1 ILE A 34 -5.874 3.947 1.798 1.00 43.11 C ATOM 0 H ILE A 34 -4.649 2.083 4.817 1.00 31.41 H new ATOM 0 HA ILE A 34 -6.743 0.408 3.849 1.00 35.32 H new ATOM 0 HB ILE A 34 -4.378 1.818 2.516 1.00 2.31 H new ATOM 0 HG12 ILE A 34 -7.289 2.645 2.686 1.00 32.01 H new ATOM 0 HG13 ILE A 34 -6.051 3.227 3.782 1.00 32.01 H new ATOM 0 HG21 ILE A 34 -5.605 1.567 0.419 1.00 11.42 H new ATOM 0 HG22 ILE A 34 -5.164 -0.007 1.122 1.00 11.42 H new ATOM 0 HG23 ILE A 34 -6.836 0.589 1.251 1.00 11.42 H new ATOM 0 HD11 ILE A 34 -6.476 4.831 2.008 1.00 43.11 H new ATOM 0 HD12 ILE A 34 -4.817 4.196 1.896 1.00 43.11 H new ATOM 0 HD13 ILE A 34 -6.074 3.604 0.783 1.00 43.11 H new ATOM 566 N LEU A 35 -3.590 -0.574 3.735 1.00 2.42 N ATOM 567 CA LEU A 35 -2.718 -1.702 3.514 1.00 71.34 C ATOM 568 C LEU A 35 -3.055 -2.823 4.510 1.00 72.35 C ATOM 569 O LEU A 35 -3.116 -4.002 4.142 1.00 20.11 O ATOM 570 CB LEU A 35 -1.276 -1.226 3.663 1.00 12.44 C ATOM 571 CG LEU A 35 -0.174 -2.012 2.932 1.00 22.13 C ATOM 572 CD1 LEU A 35 0.012 -3.421 3.480 1.00 24.01 C ATOM 573 CD2 LEU A 35 -0.448 -2.058 1.433 1.00 10.14 C ATOM 0 H LEU A 35 -3.108 0.271 4.042 1.00 2.42 H new ATOM 0 HA LEU A 35 -2.853 -2.108 2.512 1.00 71.34 H new ATOM 0 HB2 LEU A 35 -1.230 -0.192 3.322 1.00 12.44 H new ATOM 0 HB3 LEU A 35 -1.034 -1.223 4.726 1.00 12.44 H new ATOM 0 HG LEU A 35 0.759 -1.477 3.111 1.00 22.13 H new ATOM 0 HD11 LEU A 35 0.802 -3.926 2.925 1.00 24.01 H new ATOM 0 HD12 LEU A 35 0.286 -3.368 4.534 1.00 24.01 H new ATOM 0 HD13 LEU A 35 -0.919 -3.978 3.374 1.00 24.01 H new ATOM 0 HD21 LEU A 35 0.343 -2.619 0.935 1.00 10.14 H new ATOM 0 HD22 LEU A 35 -1.406 -2.546 1.253 1.00 10.14 H new ATOM 0 HD23 LEU A 35 -0.477 -1.043 1.037 1.00 10.14 H new ATOM 585 N HIS A 36 -3.311 -2.449 5.749 1.00 4.11 N ATOM 586 CA HIS A 36 -3.697 -3.418 6.769 1.00 52.02 C ATOM 587 C HIS A 36 -5.056 -4.017 6.433 1.00 33.22 C ATOM 588 O HIS A 36 -5.258 -5.219 6.554 1.00 54.05 O ATOM 589 CB HIS A 36 -3.685 -2.790 8.167 1.00 10.51 C ATOM 590 CG HIS A 36 -2.317 -2.364 8.604 1.00 43.25 C ATOM 591 ND1 HIS A 36 -2.020 -1.123 9.120 1.00 2.43 N ATOM 592 CD2 HIS A 36 -1.152 -3.050 8.590 1.00 43.33 C ATOM 593 CE1 HIS A 36 -0.718 -1.087 9.391 1.00 2.25 C ATOM 594 NE2 HIS A 36 -0.136 -2.242 9.089 1.00 53.53 N ATOM 0 H HIS A 36 -3.260 -1.485 6.078 1.00 4.11 H new ATOM 0 HA HIS A 36 -2.963 -4.224 6.778 1.00 52.02 H new ATOM 0 HB2 HIS A 36 -4.349 -1.926 8.177 1.00 10.51 H new ATOM 0 HB3 HIS A 36 -4.083 -3.507 8.885 1.00 10.51 H new ATOM 0 HD2 HIS A 36 -1.030 -4.066 8.245 1.00 43.33 H new ATOM 0 HE1 HIS A 36 -0.202 -0.232 9.802 1.00 2.25 H new ATOM 0 HE2 HIS A 36 0.848 -2.485 9.200 1.00 53.53 H new ATOM 602 N THR A 37 -5.948 -3.168 5.947 1.00 3.31 N ATOM 603 CA THR A 37 -7.264 -3.551 5.474 1.00 64.34 C ATOM 604 C THR A 37 -7.165 -4.529 4.301 1.00 41.30 C ATOM 605 O THR A 37 -7.939 -5.502 4.205 1.00 20.55 O ATOM 606 CB THR A 37 -8.004 -2.260 5.063 1.00 75.22 C ATOM 607 OG1 THR A 37 -8.550 -1.612 6.209 1.00 52.12 O ATOM 608 CG2 THR A 37 -9.034 -2.433 3.956 1.00 21.15 C ATOM 0 H THR A 37 -5.769 -2.167 5.870 1.00 3.31 H new ATOM 0 HA THR A 37 -7.814 -4.066 6.262 1.00 64.34 H new ATOM 0 HB THR A 37 -7.248 -1.615 4.616 1.00 75.22 H new ATOM 0 HG1 THR A 37 -7.905 -0.959 6.554 1.00 52.12 H new ATOM 0 HG21 THR A 37 -9.499 -1.472 3.738 1.00 21.15 H new ATOM 0 HG22 THR A 37 -8.544 -2.810 3.059 1.00 21.15 H new ATOM 0 HG23 THR A 37 -9.798 -3.141 4.277 1.00 21.15 H new ATOM 616 N TYR A 38 -6.198 -4.280 3.461 1.00 73.32 N ATOM 617 CA TYR A 38 -5.965 -5.047 2.289 1.00 44.34 C ATOM 618 C TYR A 38 -5.546 -6.464 2.659 1.00 75.40 C ATOM 619 O TYR A 38 -6.178 -7.440 2.249 1.00 1.00 O ATOM 620 CB TYR A 38 -4.861 -4.362 1.483 1.00 25.14 C ATOM 621 CG TYR A 38 -4.611 -4.976 0.160 1.00 71.11 C ATOM 622 CD1 TYR A 38 -5.466 -4.716 -0.859 1.00 72.21 C ATOM 623 CD2 TYR A 38 -3.531 -5.813 -0.066 1.00 50.53 C ATOM 624 CE1 TYR A 38 -5.281 -5.266 -2.122 1.00 45.03 C ATOM 625 CE2 TYR A 38 -3.326 -6.378 -1.308 1.00 34.35 C ATOM 626 CZ TYR A 38 -4.202 -6.100 -2.337 1.00 44.43 C ATOM 627 OH TYR A 38 -3.999 -6.667 -3.575 1.00 25.05 O ATOM 0 H TYR A 38 -5.537 -3.514 3.585 1.00 73.32 H new ATOM 0 HA TYR A 38 -6.878 -5.110 1.696 1.00 44.34 H new ATOM 0 HB2 TYR A 38 -5.126 -3.314 1.341 1.00 25.14 H new ATOM 0 HB3 TYR A 38 -3.937 -4.382 2.062 1.00 25.14 H new ATOM 0 HD1 TYR A 38 -6.311 -4.066 -0.686 1.00 72.21 H new ATOM 0 HD2 TYR A 38 -2.842 -6.026 0.738 1.00 50.53 H new ATOM 0 HE1 TYR A 38 -5.971 -5.044 -2.923 1.00 45.03 H new ATOM 0 HE2 TYR A 38 -2.484 -7.034 -1.474 1.00 34.35 H new ATOM 0 HH TYR A 38 -4.351 -6.071 -4.269 1.00 25.05 H new ATOM 637 N GLN A 39 -4.522 -6.564 3.500 1.00 72.52 N ATOM 638 CA GLN A 39 -3.989 -7.853 3.915 1.00 74.41 C ATOM 639 C GLN A 39 -4.975 -8.608 4.766 1.00 62.40 C ATOM 640 O GLN A 39 -5.032 -9.825 4.711 1.00 15.10 O ATOM 641 CB GLN A 39 -2.668 -7.701 4.647 1.00 33.31 C ATOM 642 CG GLN A 39 -1.557 -7.154 3.785 1.00 54.14 C ATOM 643 CD GLN A 39 -0.231 -7.097 4.509 1.00 61.44 C ATOM 644 OE1 GLN A 39 -0.178 -6.917 5.736 1.00 52.12 O ATOM 645 NE2 GLN A 39 0.837 -7.267 3.775 1.00 22.24 N ATOM 0 H GLN A 39 -4.043 -5.761 3.909 1.00 72.52 H new ATOM 0 HA GLN A 39 -3.809 -8.430 3.008 1.00 74.41 H new ATOM 0 HB2 GLN A 39 -2.811 -7.041 5.503 1.00 33.31 H new ATOM 0 HB3 GLN A 39 -2.367 -8.672 5.040 1.00 33.31 H new ATOM 0 HG2 GLN A 39 -1.454 -7.775 2.895 1.00 54.14 H new ATOM 0 HG3 GLN A 39 -1.825 -6.153 3.446 1.00 54.14 H new ATOM 0 HE21 GLN A 39 0.747 -7.412 2.769 1.00 22.24 H new ATOM 0 HE22 GLN A 39 1.761 -7.255 4.208 1.00 22.24 H new ATOM 654 N LYS A 40 -5.775 -7.870 5.516 1.00 1.41 N ATOM 655 CA LYS A 40 -6.793 -8.411 6.361 1.00 54.32 C ATOM 656 C LYS A 40 -7.766 -9.284 5.574 1.00 33.31 C ATOM 657 O LYS A 40 -8.227 -10.315 6.062 1.00 22.20 O ATOM 658 CB LYS A 40 -7.521 -7.267 6.966 1.00 40.04 C ATOM 659 CG LYS A 40 -8.480 -7.645 8.033 1.00 21.11 C ATOM 660 CD LYS A 40 -8.835 -6.422 8.763 1.00 13.04 C ATOM 661 CE LYS A 40 -9.801 -6.688 9.902 1.00 23.44 C ATOM 662 NZ LYS A 40 -9.214 -7.561 10.943 1.00 44.51 N ATOM 0 H LYS A 40 -5.723 -6.852 5.546 1.00 1.41 H new ATOM 0 HA LYS A 40 -6.339 -9.041 7.125 1.00 54.32 H new ATOM 0 HB2 LYS A 40 -6.794 -6.567 7.379 1.00 40.04 H new ATOM 0 HB3 LYS A 40 -8.061 -6.739 6.180 1.00 40.04 H new ATOM 0 HG2 LYS A 40 -9.369 -8.106 7.603 1.00 21.11 H new ATOM 0 HG3 LYS A 40 -8.035 -8.377 8.706 1.00 21.11 H new ATOM 0 HD2 LYS A 40 -7.929 -5.962 9.158 1.00 13.04 H new ATOM 0 HD3 LYS A 40 -9.280 -5.706 8.072 1.00 13.04 H new ATOM 0 HE2 LYS A 40 -10.100 -5.741 10.351 1.00 23.44 H new ATOM 0 HE3 LYS A 40 -10.705 -7.153 9.508 1.00 23.44 H new ATOM 0 HZ1 LYS A 40 -9.822 -7.552 11.787 1.00 44.51 H new ATOM 0 HZ2 LYS A 40 -9.141 -8.533 10.580 1.00 44.51 H new ATOM 0 HZ3 LYS A 40 -8.267 -7.213 11.194 1.00 44.51 H new ATOM 676 N GLU A 41 -8.030 -8.883 4.348 1.00 44.43 N ATOM 677 CA GLU A 41 -8.954 -9.578 3.481 1.00 73.21 C ATOM 678 C GLU A 41 -8.233 -10.736 2.770 1.00 31.52 C ATOM 679 O GLU A 41 -8.813 -11.799 2.555 1.00 3.44 O ATOM 680 CB GLU A 41 -9.514 -8.557 2.474 1.00 31.10 C ATOM 681 CG GLU A 41 -10.743 -8.980 1.669 1.00 42.50 C ATOM 682 CD GLU A 41 -10.504 -10.061 0.633 1.00 4.14 C ATOM 683 OE1 GLU A 41 -9.466 -10.035 -0.059 1.00 43.02 O ATOM 684 OE2 GLU A 41 -11.377 -10.954 0.477 1.00 70.10 O ATOM 0 H GLU A 41 -7.605 -8.059 3.923 1.00 44.43 H new ATOM 0 HA GLU A 41 -9.776 -10.010 4.051 1.00 73.21 H new ATOM 0 HB2 GLU A 41 -9.762 -7.646 3.018 1.00 31.10 H new ATOM 0 HB3 GLU A 41 -8.720 -8.303 1.772 1.00 31.10 H new ATOM 0 HG2 GLU A 41 -11.508 -9.329 2.363 1.00 42.50 H new ATOM 0 HG3 GLU A 41 -11.146 -8.101 1.166 1.00 42.50 H new ATOM 691 N GLN A 42 -6.946 -10.529 2.473 1.00 75.50 N ATOM 692 CA GLN A 42 -6.120 -11.489 1.711 1.00 14.52 C ATOM 693 C GLN A 42 -5.980 -12.864 2.387 1.00 43.40 C ATOM 694 O GLN A 42 -5.531 -13.827 1.751 1.00 74.25 O ATOM 695 CB GLN A 42 -4.735 -10.910 1.435 1.00 1.34 C ATOM 696 CG GLN A 42 -4.730 -9.620 0.618 1.00 62.14 C ATOM 697 CD GLN A 42 -5.272 -9.783 -0.792 1.00 73.43 C ATOM 698 OE1 GLN A 42 -4.522 -10.075 -1.724 1.00 42.42 O ATOM 699 NE2 GLN A 42 -6.557 -9.601 -0.961 1.00 32.11 N ATOM 0 H GLN A 42 -6.440 -9.689 2.753 1.00 75.50 H new ATOM 0 HA GLN A 42 -6.652 -11.653 0.774 1.00 14.52 H new ATOM 0 HB2 GLN A 42 -4.239 -10.722 2.387 1.00 1.34 H new ATOM 0 HB3 GLN A 42 -4.142 -11.658 0.909 1.00 1.34 H new ATOM 0 HG2 GLN A 42 -5.322 -8.868 1.140 1.00 62.14 H new ATOM 0 HG3 GLN A 42 -3.710 -9.240 0.563 1.00 62.14 H new ATOM 0 HE21 GLN A 42 -7.147 -9.360 -0.165 1.00 32.11 H new ATOM 0 HE22 GLN A 42 -6.968 -9.700 -1.889 1.00 32.11 H new ATOM 708 N LEU A 43 -6.314 -12.956 3.659 1.00 12.31 N ATOM 709 CA LEU A 43 -6.267 -14.233 4.350 1.00 51.21 C ATOM 710 C LEU A 43 -7.406 -15.147 3.914 1.00 52.25 C ATOM 711 O LEU A 43 -7.200 -16.028 3.067 1.00 42.14 O ATOM 712 CB LEU A 43 -6.224 -14.098 5.893 1.00 24.20 C ATOM 713 CG LEU A 43 -4.876 -13.812 6.558 1.00 3.34 C ATOM 714 CD1 LEU A 43 -3.923 -14.920 6.268 1.00 72.23 C ATOM 715 CD2 LEU A 43 -4.294 -12.481 6.132 1.00 35.11 C ATOM 0 H LEU A 43 -6.619 -12.170 4.233 1.00 12.31 H new ATOM 0 HA LEU A 43 -5.323 -14.693 4.056 1.00 51.21 H new ATOM 0 HB2 LEU A 43 -6.911 -13.300 6.176 1.00 24.20 H new ATOM 0 HB3 LEU A 43 -6.616 -15.022 6.319 1.00 24.20 H new ATOM 0 HG LEU A 43 -5.045 -13.751 7.633 1.00 3.34 H new ATOM 0 HD11 LEU A 43 -2.965 -14.710 6.744 1.00 72.23 H new ATOM 0 HD12 LEU A 43 -4.324 -15.856 6.657 1.00 72.23 H new ATOM 0 HD13 LEU A 43 -3.781 -15.005 5.191 1.00 72.23 H new ATOM 0 HD21 LEU A 43 -3.338 -12.325 6.632 1.00 35.11 H new ATOM 0 HD22 LEU A 43 -4.144 -12.478 5.052 1.00 35.11 H new ATOM 0 HD23 LEU A 43 -4.981 -11.680 6.405 1.00 35.11 H new ATOM 727 N HIS A 44 -8.594 -14.926 4.463 1.00 64.23 N ATOM 728 CA HIS A 44 -9.779 -15.734 4.174 1.00 33.40 C ATOM 729 C HIS A 44 -10.919 -15.207 5.031 1.00 42.05 C ATOM 730 O HIS A 44 -10.955 -15.437 6.245 1.00 40.44 O ATOM 731 CB HIS A 44 -9.521 -17.229 4.495 1.00 52.15 C ATOM 732 CG HIS A 44 -10.608 -18.177 4.071 1.00 55.22 C ATOM 733 ND1 HIS A 44 -11.278 -19.000 4.939 1.00 53.44 N ATOM 734 CD2 HIS A 44 -11.087 -18.470 2.835 1.00 74.52 C ATOM 735 CE1 HIS A 44 -12.116 -19.755 4.238 1.00 63.01 C ATOM 736 NE2 HIS A 44 -12.048 -19.475 2.944 1.00 50.43 N ATOM 0 H HIS A 44 -8.767 -14.173 5.129 1.00 64.23 H new ATOM 0 HA HIS A 44 -10.027 -15.663 3.115 1.00 33.40 H new ATOM 0 HB2 HIS A 44 -8.591 -17.531 4.014 1.00 52.15 H new ATOM 0 HB3 HIS A 44 -9.372 -17.332 5.570 1.00 52.15 H new ATOM 0 HD2 HIS A 44 -10.774 -18.000 1.914 1.00 74.52 H new ATOM 0 HE1 HIS A 44 -12.769 -20.501 4.667 1.00 63.01 H new ATOM 0 HE2 HIS A 44 -12.584 -19.903 2.189 1.00 50.43 H new ATOM 744 N THR A 45 -11.788 -14.450 4.434 1.00 60.44 N ATOM 745 CA THR A 45 -12.883 -13.860 5.147 1.00 5.01 C ATOM 746 C THR A 45 -14.091 -14.763 5.111 1.00 22.02 C ATOM 747 O THR A 45 -14.848 -14.765 4.127 1.00 5.25 O ATOM 748 CB THR A 45 -13.208 -12.469 4.577 1.00 21.32 C ATOM 749 OG1 THR A 45 -11.970 -11.730 4.446 1.00 10.25 O ATOM 750 CG2 THR A 45 -14.142 -11.705 5.506 1.00 11.52 C ATOM 0 H THR A 45 -11.760 -14.223 3.440 1.00 60.44 H new ATOM 0 HA THR A 45 -12.593 -13.736 6.190 1.00 5.01 H new ATOM 0 HB THR A 45 -13.700 -12.586 3.611 1.00 21.32 H new ATOM 0 HG1 THR A 45 -12.157 -10.840 4.082 1.00 10.25 H new ATOM 0 HG21 THR A 45 -14.357 -10.725 5.081 1.00 11.52 H new ATOM 0 HG22 THR A 45 -15.072 -12.261 5.624 1.00 11.52 H new ATOM 0 HG23 THR A 45 -13.667 -11.582 6.479 1.00 11.52 H new ATOM 758 N LYS A 46 -14.215 -15.580 6.173 1.00 11.24 N ATOM 759 CA LYS A 46 -15.314 -16.521 6.370 1.00 54.14 C ATOM 760 C LYS A 46 -15.174 -17.763 5.483 1.00 20.21 C ATOM 761 O LYS A 46 -14.539 -17.728 4.430 1.00 24.33 O ATOM 762 CB LYS A 46 -16.670 -15.838 6.177 1.00 43.10 C ATOM 763 CG LYS A 46 -16.974 -14.759 7.210 1.00 24.44 C ATOM 764 CD LYS A 46 -18.334 -14.112 6.980 1.00 23.31 C ATOM 765 CE LYS A 46 -19.478 -15.109 7.128 1.00 71.43 C ATOM 766 NZ LYS A 46 -19.512 -15.729 8.473 1.00 32.11 N ATOM 0 H LYS A 46 -13.533 -15.598 6.932 1.00 11.24 H new ATOM 0 HA LYS A 46 -15.262 -16.866 7.403 1.00 54.14 H new ATOM 0 HB2 LYS A 46 -16.703 -15.394 5.182 1.00 43.10 H new ATOM 0 HB3 LYS A 46 -17.454 -16.594 6.215 1.00 43.10 H new ATOM 0 HG2 LYS A 46 -16.945 -15.195 8.208 1.00 24.44 H new ATOM 0 HG3 LYS A 46 -16.198 -13.994 7.174 1.00 24.44 H new ATOM 0 HD2 LYS A 46 -18.471 -13.296 7.690 1.00 23.31 H new ATOM 0 HD3 LYS A 46 -18.362 -13.674 5.982 1.00 23.31 H new ATOM 0 HE2 LYS A 46 -20.425 -14.603 6.939 1.00 71.43 H new ATOM 0 HE3 LYS A 46 -19.377 -15.889 6.373 1.00 71.43 H new ATOM 0 HZ1 LYS A 46 -20.410 -16.238 8.598 1.00 32.11 H new ATOM 0 HZ2 LYS A 46 -18.720 -16.396 8.568 1.00 32.11 H new ATOM 0 HZ3 LYS A 46 -19.430 -14.989 9.199 1.00 32.11 H new ATOM 780 N GLY A 47 -15.772 -18.853 5.906 1.00 53.33 N ATOM 781 CA GLY A 47 -15.662 -20.099 5.178 1.00 12.40 C ATOM 782 C GLY A 47 -16.776 -20.280 4.189 1.00 73.22 C ATOM 783 O GLY A 47 -17.401 -21.341 4.129 1.00 13.35 O ATOM 0 H GLY A 47 -16.341 -18.903 6.751 1.00 53.33 H new ATOM 0 HA2 GLY A 47 -14.706 -20.129 4.655 1.00 12.40 H new ATOM 0 HA3 GLY A 47 -15.666 -20.931 5.883 1.00 12.40 H new ATOM 787 N ARG A 48 -17.024 -19.256 3.436 1.00 4.13 N ATOM 788 CA ARG A 48 -18.029 -19.220 2.432 1.00 51.21 C ATOM 789 C ARG A 48 -17.489 -18.260 1.389 1.00 55.34 C ATOM 790 O ARG A 48 -16.741 -17.350 1.769 1.00 63.44 O ATOM 791 CB ARG A 48 -19.330 -18.680 3.050 1.00 62.51 C ATOM 792 CG ARG A 48 -20.520 -18.652 2.115 1.00 62.12 C ATOM 793 CD ARG A 48 -21.733 -18.077 2.797 1.00 44.11 C ATOM 794 NE ARG A 48 -22.196 -18.897 3.931 1.00 75.43 N ATOM 795 CZ ARG A 48 -23.375 -18.749 4.546 1.00 22.43 C ATOM 796 NH1 ARG A 48 -24.239 -17.838 4.113 1.00 71.03 N ATOM 797 NH2 ARG A 48 -23.688 -19.520 5.584 1.00 21.43 N ATOM 0 H ARG A 48 -16.504 -18.382 3.512 1.00 4.13 H new ATOM 0 HA ARG A 48 -18.251 -20.197 2.003 1.00 51.21 H new ATOM 0 HB2 ARG A 48 -19.583 -19.290 3.917 1.00 62.51 H new ATOM 0 HB3 ARG A 48 -19.149 -17.669 3.414 1.00 62.51 H new ATOM 0 HG2 ARG A 48 -20.279 -18.058 1.233 1.00 62.12 H new ATOM 0 HG3 ARG A 48 -20.738 -19.662 1.769 1.00 62.12 H new ATOM 0 HD2 ARG A 48 -21.502 -17.073 3.152 1.00 44.11 H new ATOM 0 HD3 ARG A 48 -22.540 -17.981 2.071 1.00 44.11 H new ATOM 0 HE ARG A 48 -21.573 -19.630 4.271 1.00 75.43 H new ATOM 0 HH11 ARG A 48 -24.004 -17.252 3.312 1.00 71.03 H new ATOM 0 HH12 ARG A 48 -25.138 -17.725 4.581 1.00 71.03 H new ATOM 0 HH21 ARG A 48 -23.029 -20.226 5.912 1.00 21.43 H new ATOM 0 HH22 ARG A 48 -24.587 -19.406 6.051 1.00 21.43 H new ATOM 811 N PRO A 49 -17.755 -18.483 0.081 1.00 71.24 N ATOM 812 CA PRO A 49 -17.277 -17.601 -0.987 1.00 71.04 C ATOM 813 C PRO A 49 -17.645 -16.157 -0.748 1.00 14.33 C ATOM 814 O PRO A 49 -18.822 -15.777 -0.803 1.00 11.43 O ATOM 815 CB PRO A 49 -17.936 -18.141 -2.267 1.00 34.23 C ATOM 816 CG PRO A 49 -18.972 -19.105 -1.796 1.00 3.32 C ATOM 817 CD PRO A 49 -18.498 -19.618 -0.470 1.00 11.15 C ATOM 0 HA PRO A 49 -16.189 -17.605 -1.047 1.00 71.04 H new ATOM 0 HB2 PRO A 49 -18.383 -17.336 -2.850 1.00 34.23 H new ATOM 0 HB3 PRO A 49 -17.205 -18.631 -2.910 1.00 34.23 H new ATOM 0 HG2 PRO A 49 -19.942 -18.617 -1.700 1.00 3.32 H new ATOM 0 HG3 PRO A 49 -19.095 -19.922 -2.507 1.00 3.32 H new ATOM 0 HD2 PRO A 49 -19.331 -19.904 0.172 1.00 11.15 H new ATOM 0 HD3 PRO A 49 -17.865 -20.498 -0.582 1.00 11.15 H new ATOM 825 N PHE A 50 -16.643 -15.373 -0.445 1.00 33.52 N ATOM 826 CA PHE A 50 -16.820 -13.991 -0.145 1.00 74.55 C ATOM 827 C PHE A 50 -15.483 -13.283 -0.195 1.00 22.32 C ATOM 828 O PHE A 50 -14.580 -13.565 0.610 1.00 0.11 O ATOM 829 CB PHE A 50 -17.443 -13.844 1.247 1.00 62.42 C ATOM 830 CG PHE A 50 -17.699 -12.418 1.663 1.00 61.02 C ATOM 831 CD1 PHE A 50 -18.773 -11.716 1.143 1.00 24.34 C ATOM 832 CD2 PHE A 50 -16.867 -11.781 2.577 1.00 61.33 C ATOM 833 CE1 PHE A 50 -19.013 -10.411 1.518 1.00 10.01 C ATOM 834 CE2 PHE A 50 -17.104 -10.476 2.956 1.00 73.20 C ATOM 835 CZ PHE A 50 -18.177 -9.789 2.424 1.00 70.44 C ATOM 0 H PHE A 50 -15.674 -15.687 -0.401 1.00 33.52 H new ATOM 0 HA PHE A 50 -17.486 -13.541 -0.882 1.00 74.55 H new ATOM 0 HB2 PHE A 50 -18.385 -14.392 1.271 1.00 62.42 H new ATOM 0 HB3 PHE A 50 -16.784 -14.311 1.979 1.00 62.42 H new ATOM 0 HD1 PHE A 50 -19.431 -12.197 0.435 1.00 24.34 H new ATOM 0 HD2 PHE A 50 -16.026 -12.314 2.995 1.00 61.33 H new ATOM 0 HE1 PHE A 50 -19.854 -9.876 1.103 1.00 10.01 H new ATOM 0 HE2 PHE A 50 -16.451 -9.992 3.668 1.00 73.20 H new ATOM 0 HZ PHE A 50 -18.362 -8.766 2.716 1.00 70.44 H new ATOM 845 N ARG A 51 -15.327 -12.411 -1.147 1.00 51.04 N ATOM 846 CA ARG A 51 -14.135 -11.618 -1.228 1.00 0.33 C ATOM 847 C ARG A 51 -14.479 -10.179 -0.978 1.00 23.14 C ATOM 848 O ARG A 51 -15.548 -9.703 -1.385 1.00 44.21 O ATOM 849 CB ARG A 51 -13.411 -11.752 -2.575 1.00 23.43 C ATOM 850 CG ARG A 51 -12.894 -13.135 -2.916 1.00 31.02 C ATOM 851 CD ARG A 51 -12.040 -13.722 -1.807 1.00 2.31 C ATOM 852 NE ARG A 51 -10.905 -12.858 -1.399 1.00 2.11 N ATOM 853 CZ ARG A 51 -9.603 -13.170 -1.529 1.00 12.34 C ATOM 854 NH1 ARG A 51 -9.231 -14.273 -2.154 1.00 1.25 N ATOM 855 NH2 ARG A 51 -8.683 -12.362 -1.043 1.00 71.45 N ATOM 0 H ARG A 51 -16.012 -12.230 -1.881 1.00 51.04 H new ATOM 0 HA ARG A 51 -13.449 -11.989 -0.466 1.00 0.33 H new ATOM 0 HB2 ARG A 51 -14.093 -11.436 -3.365 1.00 23.43 H new ATOM 0 HB3 ARG A 51 -12.570 -11.059 -2.583 1.00 23.43 H new ATOM 0 HG2 ARG A 51 -13.737 -13.797 -3.111 1.00 31.02 H new ATOM 0 HG3 ARG A 51 -12.309 -13.085 -3.834 1.00 31.02 H new ATOM 0 HD2 ARG A 51 -12.670 -13.911 -0.938 1.00 2.31 H new ATOM 0 HD3 ARG A 51 -11.650 -14.686 -2.134 1.00 2.31 H new ATOM 0 HE ARG A 51 -11.130 -11.953 -0.986 1.00 2.11 H new ATOM 0 HH11 ARG A 51 -9.934 -14.900 -2.545 1.00 1.25 H new ATOM 0 HH12 ARG A 51 -8.240 -14.498 -2.246 1.00 1.25 H new ATOM 0 HH21 ARG A 51 -8.959 -11.502 -0.569 1.00 71.45 H new ATOM 0 HH22 ARG A 51 -7.695 -12.597 -1.140 1.00 71.45 H new ATOM 869 N GLY A 52 -13.619 -9.514 -0.294 1.00 64.41 N ATOM 870 CA GLY A 52 -13.782 -8.126 -0.017 1.00 54.13 C ATOM 871 C GLY A 52 -12.693 -7.362 -0.655 1.00 63.12 C ATOM 872 O GLY A 52 -11.811 -7.968 -1.244 1.00 32.44 O ATOM 0 H GLY A 52 -12.769 -9.921 0.096 1.00 64.41 H new ATOM 0 HA2 GLY A 52 -14.747 -7.782 -0.388 1.00 54.13 H new ATOM 0 HA3 GLY A 52 -13.776 -7.957 1.060 1.00 54.13 H new ATOM 876 N MET A 53 -12.810 -6.062 -0.612 1.00 60.45 N ATOM 877 CA MET A 53 -11.813 -5.105 -1.074 1.00 71.13 C ATOM 878 C MET A 53 -11.134 -5.492 -2.403 1.00 72.14 C ATOM 879 O MET A 53 -10.099 -6.181 -2.411 1.00 23.53 O ATOM 880 CB MET A 53 -10.763 -4.896 -0.013 1.00 63.51 C ATOM 881 CG MET A 53 -10.154 -3.524 -0.059 1.00 22.40 C ATOM 882 SD MET A 53 -8.661 -3.400 0.918 1.00 3.53 S ATOM 883 CE MET A 53 -8.360 -1.625 0.889 1.00 13.12 C ATOM 0 H MET A 53 -13.642 -5.608 -0.236 1.00 60.45 H new ATOM 0 HA MET A 53 -12.357 -4.180 -1.265 1.00 71.13 H new ATOM 0 HB2 MET A 53 -11.208 -5.058 0.969 1.00 63.51 H new ATOM 0 HB3 MET A 53 -9.977 -5.642 -0.134 1.00 63.51 H new ATOM 0 HG2 MET A 53 -9.929 -3.265 -1.094 1.00 22.40 H new ATOM 0 HG3 MET A 53 -10.881 -2.796 0.301 1.00 22.40 H new ATOM 0 HE1 MET A 53 -7.316 -1.429 1.133 1.00 13.12 H new ATOM 0 HE2 MET A 53 -8.579 -1.235 -0.105 1.00 13.12 H new ATOM 0 HE3 MET A 53 -9.002 -1.135 1.621 1.00 13.12 H new ATOM 893 N SER A 54 -11.702 -5.087 -3.512 1.00 12.13 N ATOM 894 CA SER A 54 -11.081 -5.383 -4.781 1.00 41.11 C ATOM 895 C SER A 54 -9.849 -4.492 -4.884 1.00 51.41 C ATOM 896 O SER A 54 -9.872 -3.373 -4.367 1.00 0.53 O ATOM 897 CB SER A 54 -12.063 -5.068 -5.903 1.00 33.11 C ATOM 898 OG SER A 54 -13.300 -5.734 -5.688 1.00 52.14 O ATOM 0 H SER A 54 -12.575 -4.562 -3.564 1.00 12.13 H new ATOM 0 HA SER A 54 -10.800 -6.433 -4.860 1.00 41.11 H new ATOM 0 HB2 SER A 54 -12.228 -3.992 -5.957 1.00 33.11 H new ATOM 0 HB3 SER A 54 -11.640 -5.375 -6.860 1.00 33.11 H new ATOM 0 HG SER A 54 -13.918 -5.519 -6.417 1.00 52.14 H new ATOM 904 N GLU A 55 -8.800 -4.928 -5.560 1.00 30.14 N ATOM 905 CA GLU A 55 -7.606 -4.158 -5.603 1.00 5.32 C ATOM 906 C GLU A 55 -7.818 -2.816 -6.335 1.00 72.34 C ATOM 907 O GLU A 55 -7.093 -1.873 -6.127 1.00 33.14 O ATOM 908 CB GLU A 55 -6.422 -4.956 -6.109 1.00 70.13 C ATOM 909 CG GLU A 55 -6.287 -4.990 -7.571 1.00 10.04 C ATOM 910 CD GLU A 55 -7.435 -5.688 -8.249 1.00 20.30 C ATOM 911 OE1 GLU A 55 -7.580 -6.911 -8.078 1.00 42.55 O ATOM 912 OE2 GLU A 55 -8.257 -4.999 -8.904 1.00 75.43 O ATOM 0 H GLU A 55 -8.767 -5.806 -6.077 1.00 30.14 H new ATOM 0 HA GLU A 55 -7.348 -3.896 -4.577 1.00 5.32 H new ATOM 0 HB2 GLU A 55 -5.510 -4.538 -5.683 1.00 70.13 H new ATOM 0 HB3 GLU A 55 -6.506 -5.979 -5.741 1.00 70.13 H new ATOM 0 HG2 GLU A 55 -6.215 -3.970 -7.948 1.00 10.04 H new ATOM 0 HG3 GLU A 55 -5.356 -5.493 -7.833 1.00 10.04 H new ATOM 919 N GLU A 56 -8.826 -2.776 -7.189 1.00 23.43 N ATOM 920 CA GLU A 56 -9.273 -1.567 -7.847 1.00 11.44 C ATOM 921 C GLU A 56 -9.638 -0.477 -6.811 1.00 13.52 C ATOM 922 O GLU A 56 -9.161 0.662 -6.892 1.00 41.15 O ATOM 923 CB GLU A 56 -10.492 -1.894 -8.696 1.00 42.35 C ATOM 924 CG GLU A 56 -11.083 -0.706 -9.403 1.00 23.01 C ATOM 925 CD GLU A 56 -10.197 -0.156 -10.470 1.00 23.32 C ATOM 926 OE1 GLU A 56 -10.253 -0.627 -11.618 1.00 14.12 O ATOM 927 OE2 GLU A 56 -9.444 0.785 -10.195 1.00 21.33 O ATOM 0 H GLU A 56 -9.366 -3.602 -7.448 1.00 23.43 H new ATOM 0 HA GLU A 56 -8.467 -1.184 -8.473 1.00 11.44 H new ATOM 0 HB2 GLU A 56 -10.215 -2.644 -9.437 1.00 42.35 H new ATOM 0 HB3 GLU A 56 -11.255 -2.342 -8.060 1.00 42.35 H new ATOM 0 HG2 GLU A 56 -12.038 -0.992 -9.844 1.00 23.01 H new ATOM 0 HG3 GLU A 56 -11.291 0.077 -8.673 1.00 23.01 H new ATOM 934 N GLU A 57 -10.456 -0.842 -5.813 1.00 34.32 N ATOM 935 CA GLU A 57 -10.888 0.114 -4.792 1.00 14.41 C ATOM 936 C GLU A 57 -9.698 0.439 -3.899 1.00 64.21 C ATOM 937 O GLU A 57 -9.562 1.545 -3.392 1.00 64.31 O ATOM 938 CB GLU A 57 -12.066 -0.437 -3.978 1.00 0.43 C ATOM 939 CG GLU A 57 -11.654 -1.392 -2.911 1.00 61.23 C ATOM 940 CD GLU A 57 -12.798 -2.014 -2.167 1.00 31.45 C ATOM 941 OE1 GLU A 57 -13.388 -2.989 -2.665 1.00 72.44 O ATOM 942 OE2 GLU A 57 -13.107 -1.562 -1.050 1.00 73.10 O ATOM 0 H GLU A 57 -10.827 -1.785 -5.694 1.00 34.32 H new ATOM 0 HA GLU A 57 -11.241 1.027 -5.272 1.00 14.41 H new ATOM 0 HB2 GLU A 57 -12.604 0.395 -3.523 1.00 0.43 H new ATOM 0 HB3 GLU A 57 -12.762 -0.936 -4.652 1.00 0.43 H new ATOM 0 HG2 GLU A 57 -11.054 -2.184 -3.360 1.00 61.23 H new ATOM 0 HG3 GLU A 57 -11.013 -0.870 -2.200 1.00 61.23 H new ATOM 949 N VAL A 58 -8.816 -0.544 -3.777 1.00 5.33 N ATOM 950 CA VAL A 58 -7.593 -0.436 -3.059 1.00 51.52 C ATOM 951 C VAL A 58 -6.728 0.629 -3.699 1.00 5.35 C ATOM 952 O VAL A 58 -6.334 1.597 -3.051 1.00 3.52 O ATOM 953 CB VAL A 58 -6.887 -1.804 -3.078 1.00 70.33 C ATOM 954 CG1 VAL A 58 -5.440 -1.737 -2.687 1.00 2.53 C ATOM 955 CG2 VAL A 58 -7.643 -2.762 -2.208 1.00 73.25 C ATOM 0 H VAL A 58 -8.955 -1.463 -4.197 1.00 5.33 H new ATOM 0 HA VAL A 58 -7.780 -0.149 -2.024 1.00 51.52 H new ATOM 0 HB VAL A 58 -6.889 -2.159 -4.109 1.00 70.33 H new ATOM 0 HG11 VAL A 58 -5.007 -2.737 -2.723 1.00 2.53 H new ATOM 0 HG12 VAL A 58 -4.906 -1.085 -3.379 1.00 2.53 H new ATOM 0 HG13 VAL A 58 -5.354 -1.340 -1.675 1.00 2.53 H new ATOM 0 HG21 VAL A 58 -7.147 -3.732 -2.218 1.00 73.25 H new ATOM 0 HG22 VAL A 58 -7.673 -2.381 -1.187 1.00 73.25 H new ATOM 0 HG23 VAL A 58 -8.660 -2.871 -2.585 1.00 73.25 H new ATOM 965 N PHE A 59 -6.508 0.467 -4.995 1.00 44.35 N ATOM 966 CA PHE A 59 -5.722 1.375 -5.785 1.00 12.22 C ATOM 967 C PHE A 59 -6.312 2.763 -5.699 1.00 13.32 C ATOM 968 O PHE A 59 -5.589 3.720 -5.591 1.00 64.51 O ATOM 969 CB PHE A 59 -5.674 0.906 -7.247 1.00 73.42 C ATOM 970 CG PHE A 59 -4.681 1.668 -8.105 1.00 23.32 C ATOM 971 CD1 PHE A 59 -3.362 1.244 -8.195 1.00 73.52 C ATOM 972 CD2 PHE A 59 -5.062 2.796 -8.812 1.00 42.45 C ATOM 973 CE1 PHE A 59 -2.449 1.933 -8.972 1.00 32.11 C ATOM 974 CE2 PHE A 59 -4.154 3.489 -9.589 1.00 53.34 C ATOM 975 CZ PHE A 59 -2.847 3.056 -9.670 1.00 40.52 C ATOM 0 H PHE A 59 -6.882 -0.318 -5.528 1.00 44.35 H new ATOM 0 HA PHE A 59 -4.704 1.395 -5.397 1.00 12.22 H new ATOM 0 HB2 PHE A 59 -5.421 -0.154 -7.270 1.00 73.42 H new ATOM 0 HB3 PHE A 59 -6.668 1.006 -7.683 1.00 73.42 H new ATOM 0 HD1 PHE A 59 -3.045 0.366 -7.652 1.00 73.52 H new ATOM 0 HD2 PHE A 59 -6.084 3.139 -8.755 1.00 42.45 H new ATOM 0 HE1 PHE A 59 -1.426 1.593 -9.033 1.00 32.11 H new ATOM 0 HE2 PHE A 59 -4.467 4.368 -10.132 1.00 53.34 H new ATOM 0 HZ PHE A 59 -2.136 3.595 -10.279 1.00 40.52 H new ATOM 985 N THR A 60 -7.635 2.839 -5.689 1.00 30.40 N ATOM 986 CA THR A 60 -8.347 4.040 -5.596 1.00 53.31 C ATOM 987 C THR A 60 -7.958 4.839 -4.336 1.00 74.32 C ATOM 988 O THR A 60 -7.530 5.979 -4.449 1.00 55.41 O ATOM 989 CB THR A 60 -9.837 3.702 -5.584 1.00 52.13 C ATOM 990 OG1 THR A 60 -10.229 3.132 -6.854 1.00 4.43 O ATOM 991 CG2 THR A 60 -10.648 4.898 -5.281 1.00 70.52 C ATOM 0 H THR A 60 -8.236 2.017 -5.749 1.00 30.40 H new ATOM 0 HA THR A 60 -8.106 4.672 -6.451 1.00 53.31 H new ATOM 0 HB THR A 60 -10.016 2.967 -4.799 1.00 52.13 H new ATOM 0 HG1 THR A 60 -10.051 2.168 -6.849 1.00 4.43 H new ATOM 0 HG21 THR A 60 -11.705 4.630 -5.279 1.00 70.52 H new ATOM 0 HG22 THR A 60 -10.370 5.287 -4.302 1.00 70.52 H new ATOM 0 HG23 THR A 60 -10.469 5.661 -6.039 1.00 70.52 H new ATOM 999 N GLU A 61 -8.028 4.213 -3.160 1.00 43.24 N ATOM 1000 CA GLU A 61 -7.776 4.926 -1.917 1.00 53.21 C ATOM 1001 C GLU A 61 -6.304 5.309 -1.810 1.00 53.21 C ATOM 1002 O GLU A 61 -5.964 6.393 -1.330 1.00 52.13 O ATOM 1003 CB GLU A 61 -8.200 4.077 -0.716 1.00 3.44 C ATOM 1004 CG GLU A 61 -9.640 3.630 -0.773 1.00 44.22 C ATOM 1005 CD GLU A 61 -10.107 2.915 0.472 1.00 14.51 C ATOM 1006 OE1 GLU A 61 -9.889 1.690 0.606 1.00 25.43 O ATOM 1007 OE2 GLU A 61 -10.743 3.564 1.338 1.00 40.55 O ATOM 0 H GLU A 61 -8.255 3.225 -3.047 1.00 43.24 H new ATOM 0 HA GLU A 61 -8.370 5.840 -1.918 1.00 53.21 H new ATOM 0 HB2 GLU A 61 -7.557 3.199 -0.657 1.00 3.44 H new ATOM 0 HB3 GLU A 61 -8.042 4.650 0.198 1.00 3.44 H new ATOM 0 HG2 GLU A 61 -10.274 4.501 -0.940 1.00 44.22 H new ATOM 0 HG3 GLU A 61 -9.772 2.970 -1.631 1.00 44.22 H new ATOM 1014 N VAL A 62 -5.450 4.441 -2.310 1.00 43.41 N ATOM 1015 CA VAL A 62 -4.014 4.653 -2.273 1.00 24.34 C ATOM 1016 C VAL A 62 -3.596 5.743 -3.279 1.00 33.24 C ATOM 1017 O VAL A 62 -2.790 6.621 -2.964 1.00 11.52 O ATOM 1018 CB VAL A 62 -3.257 3.335 -2.551 1.00 45.42 C ATOM 1019 CG1 VAL A 62 -1.776 3.524 -2.401 1.00 51.53 C ATOM 1020 CG2 VAL A 62 -3.728 2.255 -1.605 1.00 2.21 C ATOM 0 H VAL A 62 -5.730 3.567 -2.755 1.00 43.41 H new ATOM 0 HA VAL A 62 -3.748 4.993 -1.272 1.00 24.34 H new ATOM 0 HB VAL A 62 -3.467 3.036 -3.578 1.00 45.42 H new ATOM 0 HG11 VAL A 62 -1.267 2.581 -2.602 1.00 51.53 H new ATOM 0 HG12 VAL A 62 -1.432 4.280 -3.107 1.00 51.53 H new ATOM 0 HG13 VAL A 62 -1.552 3.848 -1.385 1.00 51.53 H new ATOM 0 HG21 VAL A 62 -3.188 1.331 -1.810 1.00 2.21 H new ATOM 0 HG22 VAL A 62 -3.540 2.565 -0.577 1.00 2.21 H new ATOM 0 HG23 VAL A 62 -4.796 2.089 -1.745 1.00 2.21 H new ATOM 1030 N ALA A 63 -4.179 5.705 -4.465 1.00 41.11 N ATOM 1031 CA ALA A 63 -3.915 6.711 -5.498 1.00 21.34 C ATOM 1032 C ALA A 63 -4.482 8.045 -5.072 1.00 20.23 C ATOM 1033 O ALA A 63 -3.988 9.090 -5.445 1.00 74.33 O ATOM 1034 CB ALA A 63 -4.497 6.293 -6.840 1.00 52.15 C ATOM 0 H ALA A 63 -4.845 4.985 -4.745 1.00 41.11 H new ATOM 0 HA ALA A 63 -2.835 6.801 -5.618 1.00 21.34 H new ATOM 0 HB1 ALA A 63 -4.284 7.061 -7.584 1.00 52.15 H new ATOM 0 HB2 ALA A 63 -4.049 5.350 -7.153 1.00 52.15 H new ATOM 0 HB3 ALA A 63 -5.576 6.169 -6.746 1.00 52.15 H new ATOM 1040 N ASN A 64 -5.540 7.982 -4.320 1.00 52.24 N ATOM 1041 CA ASN A 64 -6.156 9.142 -3.711 1.00 24.41 C ATOM 1042 C ASN A 64 -5.272 9.717 -2.618 1.00 53.15 C ATOM 1043 O ASN A 64 -5.248 10.929 -2.396 1.00 32.00 O ATOM 1044 CB ASN A 64 -7.523 8.744 -3.177 1.00 73.41 C ATOM 1045 CG ASN A 64 -8.003 9.519 -1.969 1.00 31.44 C ATOM 1046 OD1 ASN A 64 -8.599 10.594 -2.081 1.00 34.14 O ATOM 1047 ND2 ASN A 64 -7.788 8.948 -0.815 1.00 73.34 N ATOM 0 H ASN A 64 -6.016 7.106 -4.103 1.00 52.24 H new ATOM 0 HA ASN A 64 -6.281 9.927 -4.457 1.00 24.41 H new ATOM 0 HB2 ASN A 64 -8.254 8.862 -3.977 1.00 73.41 H new ATOM 0 HB3 ASN A 64 -7.499 7.685 -2.921 1.00 73.41 H new ATOM 0 HD21 ASN A 64 -8.118 9.391 0.043 1.00 73.34 H new ATOM 0 HD22 ASN A 64 -7.290 8.059 -0.771 1.00 73.34 H new ATOM 1054 N LEU A 65 -4.529 8.852 -1.963 1.00 75.13 N ATOM 1055 CA LEU A 65 -3.667 9.262 -0.902 1.00 3.01 C ATOM 1056 C LEU A 65 -2.448 9.969 -1.502 1.00 54.10 C ATOM 1057 O LEU A 65 -2.191 11.144 -1.240 1.00 22.52 O ATOM 1058 CB LEU A 65 -3.172 8.049 -0.112 1.00 12.11 C ATOM 1059 CG LEU A 65 -3.023 8.229 1.400 1.00 33.03 C ATOM 1060 CD1 LEU A 65 -2.965 9.657 1.797 1.00 32.51 C ATOM 1061 CD2 LEU A 65 -4.120 7.567 2.127 1.00 55.40 C ATOM 0 H LEU A 65 -4.513 7.851 -2.158 1.00 75.13 H new ATOM 0 HA LEU A 65 -4.220 9.926 -0.238 1.00 3.01 H new ATOM 0 HB2 LEU A 65 -3.860 7.223 -0.290 1.00 12.11 H new ATOM 0 HB3 LEU A 65 -2.205 7.751 -0.516 1.00 12.11 H new ATOM 0 HG LEU A 65 -2.075 7.762 1.668 1.00 33.03 H new ATOM 0 HD11 LEU A 65 -2.859 9.730 2.879 1.00 32.51 H new ATOM 0 HD12 LEU A 65 -2.111 10.134 1.316 1.00 32.51 H new ATOM 0 HD13 LEU A 65 -3.882 10.158 1.488 1.00 32.51 H new ATOM 0 HD21 LEU A 65 -3.986 7.713 3.199 1.00 55.40 H new ATOM 0 HD22 LEU A 65 -5.073 7.997 1.818 1.00 55.40 H new ATOM 0 HD23 LEU A 65 -4.114 6.500 1.902 1.00 55.40 H new ATOM 1073 N PHE A 66 -1.742 9.259 -2.360 1.00 23.21 N ATOM 1074 CA PHE A 66 -0.512 9.761 -2.955 1.00 3.11 C ATOM 1075 C PHE A 66 -0.811 10.379 -4.306 1.00 70.23 C ATOM 1076 O PHE A 66 -0.029 10.253 -5.245 1.00 23.32 O ATOM 1077 CB PHE A 66 0.490 8.616 -3.132 1.00 11.21 C ATOM 1078 CG PHE A 66 0.731 7.810 -1.887 1.00 44.23 C ATOM 1079 CD1 PHE A 66 1.157 8.418 -0.720 1.00 1.41 C ATOM 1080 CD2 PHE A 66 0.540 6.441 -1.888 1.00 1.11 C ATOM 1081 CE1 PHE A 66 1.384 7.681 0.418 1.00 44.03 C ATOM 1082 CE2 PHE A 66 0.766 5.697 -0.753 1.00 2.13 C ATOM 1083 CZ PHE A 66 1.189 6.319 0.403 1.00 14.44 C ATOM 0 H PHE A 66 -2.001 8.321 -2.666 1.00 23.21 H new ATOM 0 HA PHE A 66 -0.084 10.516 -2.295 1.00 3.11 H new ATOM 0 HB2 PHE A 66 0.130 7.951 -3.917 1.00 11.21 H new ATOM 0 HB3 PHE A 66 1.439 9.029 -3.474 1.00 11.21 H new ATOM 0 HD1 PHE A 66 1.313 9.486 -0.703 1.00 1.41 H new ATOM 0 HD2 PHE A 66 0.209 5.949 -2.791 1.00 1.11 H new ATOM 0 HE1 PHE A 66 1.715 8.170 1.322 1.00 44.03 H new ATOM 0 HE2 PHE A 66 0.612 4.628 -0.767 1.00 2.13 H new ATOM 0 HZ PHE A 66 1.367 5.738 1.296 1.00 14.44 H new ATOM 1093 N ARG A 67 -1.927 11.074 -4.370 1.00 64.13 N ATOM 1094 CA ARG A 67 -2.392 11.747 -5.562 1.00 31.43 C ATOM 1095 C ARG A 67 -1.349 12.753 -6.082 1.00 13.22 C ATOM 1096 O ARG A 67 -1.081 13.788 -5.459 1.00 74.31 O ATOM 1097 CB ARG A 67 -3.736 12.436 -5.265 1.00 54.22 C ATOM 1098 CG ARG A 67 -3.693 13.335 -4.031 1.00 30.14 C ATOM 1099 CD ARG A 67 -5.010 14.019 -3.746 1.00 73.34 C ATOM 1100 NE ARG A 67 -4.916 14.815 -2.513 1.00 21.10 N ATOM 1101 CZ ARG A 67 -5.596 15.936 -2.250 1.00 75.01 C ATOM 1102 NH1 ARG A 67 -6.483 16.406 -3.124 1.00 52.20 N ATOM 1103 NH2 ARG A 67 -5.382 16.582 -1.104 1.00 43.51 N ATOM 0 H ARG A 67 -2.552 11.189 -3.572 1.00 64.13 H new ATOM 0 HA ARG A 67 -2.538 11.009 -6.351 1.00 31.43 H new ATOM 0 HB2 ARG A 67 -4.031 13.031 -6.130 1.00 54.22 H new ATOM 0 HB3 ARG A 67 -4.504 11.675 -5.125 1.00 54.22 H new ATOM 0 HG2 ARG A 67 -3.406 12.739 -3.165 1.00 30.14 H new ATOM 0 HG3 ARG A 67 -2.920 14.092 -4.167 1.00 30.14 H new ATOM 0 HD2 ARG A 67 -5.282 14.663 -4.583 1.00 73.34 H new ATOM 0 HD3 ARG A 67 -5.800 13.275 -3.647 1.00 73.34 H new ATOM 0 HE ARG A 67 -4.274 14.482 -1.794 1.00 21.10 H new ATOM 0 HH11 ARG A 67 -6.647 15.911 -4.000 1.00 52.20 H new ATOM 0 HH12 ARG A 67 -6.998 17.262 -2.917 1.00 52.20 H new ATOM 0 HH21 ARG A 67 -4.703 16.221 -0.434 1.00 43.51 H new ATOM 0 HH22 ARG A 67 -5.897 17.438 -0.897 1.00 43.51 H new ATOM 1117 N GLY A 68 -0.732 12.407 -7.174 1.00 60.23 N ATOM 1118 CA GLY A 68 0.291 13.224 -7.762 1.00 63.22 C ATOM 1119 C GLY A 68 1.571 12.442 -7.871 1.00 75.01 C ATOM 1120 O GLY A 68 2.282 12.508 -8.883 1.00 24.55 O ATOM 0 H GLY A 68 -0.925 11.546 -7.685 1.00 60.23 H new ATOM 0 HA2 GLY A 68 -0.024 13.562 -8.749 1.00 63.22 H new ATOM 0 HA3 GLY A 68 0.450 14.116 -7.155 1.00 63.22 H new ATOM 1124 N GLN A 69 1.851 11.669 -6.843 1.00 51.14 N ATOM 1125 CA GLN A 69 3.007 10.815 -6.784 1.00 71.12 C ATOM 1126 C GLN A 69 2.781 9.557 -7.581 1.00 55.14 C ATOM 1127 O GLN A 69 2.667 8.459 -7.030 1.00 61.41 O ATOM 1128 CB GLN A 69 3.316 10.462 -5.345 1.00 14.04 C ATOM 1129 CG GLN A 69 3.622 11.662 -4.510 1.00 2.24 C ATOM 1130 CD GLN A 69 4.864 12.361 -4.972 1.00 54.24 C ATOM 1131 OE1 GLN A 69 5.809 11.736 -5.470 1.00 34.21 O ATOM 1132 NE2 GLN A 69 4.861 13.639 -4.871 1.00 45.03 N ATOM 0 H GLN A 69 1.265 11.620 -6.009 1.00 51.14 H new ATOM 0 HA GLN A 69 3.853 11.351 -7.214 1.00 71.12 H new ATOM 0 HB2 GLN A 69 2.466 9.932 -4.915 1.00 14.04 H new ATOM 0 HB3 GLN A 69 4.165 9.779 -5.317 1.00 14.04 H new ATOM 0 HG2 GLN A 69 2.781 12.354 -4.547 1.00 2.24 H new ATOM 0 HG3 GLN A 69 3.741 11.360 -3.470 1.00 2.24 H new ATOM 0 HE21 GLN A 69 4.062 14.116 -4.454 1.00 45.03 H new ATOM 0 HE22 GLN A 69 5.658 14.179 -5.208 1.00 45.03 H new ATOM 1141 N GLU A 70 2.725 9.717 -8.871 1.00 53.32 N ATOM 1142 CA GLU A 70 2.493 8.626 -9.790 1.00 24.13 C ATOM 1143 C GLU A 70 3.635 7.641 -9.700 1.00 65.11 C ATOM 1144 O GLU A 70 3.450 6.441 -9.844 1.00 44.24 O ATOM 1145 CB GLU A 70 2.363 9.166 -11.196 1.00 33.42 C ATOM 1146 CG GLU A 70 1.312 10.246 -11.310 1.00 64.52 C ATOM 1147 CD GLU A 70 1.228 10.808 -12.683 1.00 2.33 C ATOM 1148 OE1 GLU A 70 2.140 11.555 -13.090 1.00 33.32 O ATOM 1149 OE2 GLU A 70 0.244 10.522 -13.390 1.00 21.33 O ATOM 0 H GLU A 70 2.840 10.622 -9.328 1.00 53.32 H new ATOM 0 HA GLU A 70 1.567 8.113 -9.529 1.00 24.13 H new ATOM 0 HB2 GLU A 70 3.325 9.565 -11.518 1.00 33.42 H new ATOM 0 HB3 GLU A 70 2.114 8.349 -11.873 1.00 33.42 H new ATOM 0 HG2 GLU A 70 0.342 9.837 -11.027 1.00 64.52 H new ATOM 0 HG3 GLU A 70 1.538 11.046 -10.605 1.00 64.52 H new ATOM 1156 N ASP A 71 4.805 8.169 -9.402 1.00 21.43 N ATOM 1157 CA ASP A 71 6.010 7.377 -9.214 1.00 13.32 C ATOM 1158 C ASP A 71 5.864 6.435 -8.016 1.00 52.42 C ATOM 1159 O ASP A 71 6.289 5.272 -8.070 1.00 62.31 O ATOM 1160 CB ASP A 71 7.220 8.295 -9.053 1.00 40.02 C ATOM 1161 CG ASP A 71 8.510 7.554 -8.788 1.00 13.02 C ATOM 1162 OD1 ASP A 71 9.082 6.952 -9.724 1.00 13.15 O ATOM 1163 OD2 ASP A 71 8.992 7.590 -7.656 1.00 73.50 O ATOM 0 H ASP A 71 4.950 9.171 -9.282 1.00 21.43 H new ATOM 0 HA ASP A 71 6.164 6.759 -10.098 1.00 13.32 H new ATOM 0 HB2 ASP A 71 7.334 8.894 -9.956 1.00 40.02 H new ATOM 0 HB3 ASP A 71 7.033 8.988 -8.232 1.00 40.02 H new ATOM 1168 N LEU A 72 5.211 6.909 -6.964 1.00 51.34 N ATOM 1169 CA LEU A 72 4.967 6.072 -5.791 1.00 62.41 C ATOM 1170 C LEU A 72 3.922 5.035 -6.114 1.00 14.53 C ATOM 1171 O LEU A 72 4.044 3.867 -5.733 1.00 43.51 O ATOM 1172 CB LEU A 72 4.501 6.886 -4.574 1.00 43.12 C ATOM 1173 CG LEU A 72 5.504 7.847 -3.944 1.00 61.50 C ATOM 1174 CD1 LEU A 72 4.871 8.554 -2.761 1.00 15.10 C ATOM 1175 CD2 LEU A 72 6.735 7.103 -3.491 1.00 61.55 C ATOM 0 H LEU A 72 4.843 7.858 -6.895 1.00 51.34 H new ATOM 0 HA LEU A 72 5.915 5.599 -5.534 1.00 62.41 H new ATOM 0 HB2 LEU A 72 3.624 7.462 -4.870 1.00 43.12 H new ATOM 0 HB3 LEU A 72 4.177 6.185 -3.804 1.00 43.12 H new ATOM 0 HG LEU A 72 5.794 8.584 -4.693 1.00 61.50 H new ATOM 0 HD11 LEU A 72 5.594 9.238 -2.317 1.00 15.10 H new ATOM 0 HD12 LEU A 72 3.999 9.115 -3.097 1.00 15.10 H new ATOM 0 HD13 LEU A 72 4.565 7.817 -2.018 1.00 15.10 H new ATOM 0 HD21 LEU A 72 7.440 7.804 -3.044 1.00 61.55 H new ATOM 0 HD22 LEU A 72 6.455 6.351 -2.754 1.00 61.55 H new ATOM 0 HD23 LEU A 72 7.201 6.616 -4.347 1.00 61.55 H new ATOM 1187 N LEU A 73 2.926 5.452 -6.866 1.00 20.14 N ATOM 1188 CA LEU A 73 1.813 4.590 -7.230 1.00 1.23 C ATOM 1189 C LEU A 73 2.319 3.474 -8.140 1.00 70.44 C ATOM 1190 O LEU A 73 1.859 2.331 -8.079 1.00 11.02 O ATOM 1191 CB LEU A 73 0.710 5.413 -7.919 1.00 62.12 C ATOM 1192 CG LEU A 73 0.199 6.641 -7.133 1.00 61.24 C ATOM 1193 CD1 LEU A 73 -0.836 7.408 -7.901 1.00 53.03 C ATOM 1194 CD2 LEU A 73 -0.353 6.265 -5.778 1.00 44.44 C ATOM 0 H LEU A 73 2.861 6.397 -7.244 1.00 20.14 H new ATOM 0 HA LEU A 73 1.384 4.142 -6.334 1.00 1.23 H new ATOM 0 HB2 LEU A 73 1.086 5.753 -8.884 1.00 62.12 H new ATOM 0 HB3 LEU A 73 -0.136 4.756 -8.120 1.00 62.12 H new ATOM 0 HG LEU A 73 1.069 7.280 -6.984 1.00 61.24 H new ATOM 0 HD11 LEU A 73 -1.167 8.263 -7.311 1.00 53.03 H new ATOM 0 HD12 LEU A 73 -0.407 7.759 -8.839 1.00 53.03 H new ATOM 0 HD13 LEU A 73 -1.687 6.760 -8.111 1.00 53.03 H new ATOM 0 HD21 LEU A 73 -0.699 7.162 -5.265 1.00 44.44 H new ATOM 0 HD22 LEU A 73 -1.187 5.574 -5.904 1.00 44.44 H new ATOM 0 HD23 LEU A 73 0.428 5.787 -5.187 1.00 44.44 H new ATOM 1206 N SER A 74 3.315 3.809 -8.936 1.00 3.31 N ATOM 1207 CA SER A 74 3.955 2.868 -9.815 1.00 13.00 C ATOM 1208 C SER A 74 4.657 1.757 -9.015 1.00 34.44 C ATOM 1209 O SER A 74 4.455 0.571 -9.286 1.00 41.14 O ATOM 1210 CB SER A 74 4.942 3.591 -10.725 1.00 53.54 C ATOM 1211 OG SER A 74 4.281 4.560 -11.537 1.00 64.11 O ATOM 0 H SER A 74 3.701 4.752 -8.987 1.00 3.31 H new ATOM 0 HA SER A 74 3.192 2.397 -10.434 1.00 13.00 H new ATOM 0 HB2 SER A 74 5.707 4.080 -10.121 1.00 53.54 H new ATOM 0 HB3 SER A 74 5.452 2.867 -11.361 1.00 53.54 H new ATOM 0 HG SER A 74 3.784 5.182 -10.965 1.00 64.11 H new ATOM 1217 N GLU A 75 5.428 2.140 -7.993 1.00 62.44 N ATOM 1218 CA GLU A 75 6.151 1.157 -7.187 1.00 61.13 C ATOM 1219 C GLU A 75 5.189 0.333 -6.338 1.00 13.04 C ATOM 1220 O GLU A 75 5.394 -0.858 -6.138 1.00 30.24 O ATOM 1221 CB GLU A 75 7.231 1.805 -6.321 1.00 30.21 C ATOM 1222 CG GLU A 75 8.248 2.593 -7.122 1.00 61.13 C ATOM 1223 CD GLU A 75 9.447 3.018 -6.313 1.00 43.35 C ATOM 1224 OE1 GLU A 75 9.389 4.040 -5.606 1.00 52.22 O ATOM 1225 OE2 GLU A 75 10.503 2.333 -6.394 1.00 33.30 O ATOM 0 H GLU A 75 5.566 3.110 -7.708 1.00 62.44 H new ATOM 0 HA GLU A 75 6.658 0.485 -7.879 1.00 61.13 H new ATOM 0 HB2 GLU A 75 6.757 2.467 -5.596 1.00 30.21 H new ATOM 0 HB3 GLU A 75 7.747 1.030 -5.755 1.00 30.21 H new ATOM 0 HG2 GLU A 75 8.583 1.988 -7.965 1.00 61.13 H new ATOM 0 HG3 GLU A 75 7.766 3.478 -7.537 1.00 61.13 H new ATOM 1232 N PHE A 76 4.124 0.967 -5.879 1.00 72.40 N ATOM 1233 CA PHE A 76 3.068 0.288 -5.121 1.00 63.44 C ATOM 1234 C PHE A 76 2.482 -0.833 -5.971 1.00 0.51 C ATOM 1235 O PHE A 76 2.267 -1.941 -5.495 1.00 44.20 O ATOM 1236 CB PHE A 76 1.979 1.309 -4.741 1.00 62.12 C ATOM 1237 CG PHE A 76 0.829 0.761 -3.942 1.00 24.51 C ATOM 1238 CD1 PHE A 76 0.950 0.571 -2.578 1.00 2.44 C ATOM 1239 CD2 PHE A 76 -0.378 0.447 -4.557 1.00 43.15 C ATOM 1240 CE1 PHE A 76 -0.104 0.077 -1.839 1.00 63.42 C ATOM 1241 CE2 PHE A 76 -1.437 -0.048 -3.822 1.00 45.31 C ATOM 1242 CZ PHE A 76 -1.299 -0.234 -2.460 1.00 22.32 C ATOM 0 H PHE A 76 3.960 1.964 -6.017 1.00 72.40 H new ATOM 0 HA PHE A 76 3.478 -0.143 -4.207 1.00 63.44 H new ATOM 0 HB2 PHE A 76 2.443 2.114 -4.172 1.00 62.12 H new ATOM 0 HB3 PHE A 76 1.585 1.751 -5.656 1.00 62.12 H new ATOM 0 HD1 PHE A 76 1.881 0.812 -2.086 1.00 2.44 H new ATOM 0 HD2 PHE A 76 -0.488 0.592 -5.622 1.00 43.15 H new ATOM 0 HE1 PHE A 76 0.004 -0.067 -0.774 1.00 63.42 H new ATOM 0 HE2 PHE A 76 -2.370 -0.289 -4.310 1.00 45.31 H new ATOM 0 HZ PHE A 76 -2.124 -0.622 -1.881 1.00 22.32 H new ATOM 1252 N GLY A 77 2.281 -0.541 -7.244 1.00 51.51 N ATOM 1253 CA GLY A 77 1.755 -1.524 -8.154 1.00 64.00 C ATOM 1254 C GLY A 77 2.719 -2.676 -8.400 1.00 74.50 C ATOM 1255 O GLY A 77 2.295 -3.790 -8.659 1.00 54.22 O ATOM 0 H GLY A 77 2.476 0.368 -7.663 1.00 51.51 H new ATOM 0 HA2 GLY A 77 0.820 -1.918 -7.756 1.00 64.00 H new ATOM 0 HA3 GLY A 77 1.520 -1.044 -9.104 1.00 64.00 H new ATOM 1259 N GLN A 78 4.013 -2.406 -8.307 1.00 33.44 N ATOM 1260 CA GLN A 78 5.034 -3.438 -8.448 1.00 0.54 C ATOM 1261 C GLN A 78 4.910 -4.417 -7.284 1.00 22.31 C ATOM 1262 O GLN A 78 4.929 -5.641 -7.462 1.00 42.34 O ATOM 1263 CB GLN A 78 6.416 -2.797 -8.394 1.00 42.21 C ATOM 1264 CG GLN A 78 7.553 -3.790 -8.468 1.00 25.14 C ATOM 1265 CD GLN A 78 8.857 -3.200 -7.994 1.00 73.30 C ATOM 1266 OE1 GLN A 78 9.202 -3.294 -6.810 1.00 11.12 O ATOM 1267 NE2 GLN A 78 9.577 -2.582 -8.875 1.00 54.34 N ATOM 0 H GLN A 78 4.385 -1.472 -8.133 1.00 33.44 H new ATOM 0 HA GLN A 78 4.901 -3.955 -9.398 1.00 0.54 H new ATOM 0 HB2 GLN A 78 6.510 -2.089 -9.217 1.00 42.21 H new ATOM 0 HB3 GLN A 78 6.505 -2.225 -7.470 1.00 42.21 H new ATOM 0 HG2 GLN A 78 7.310 -4.663 -7.863 1.00 25.14 H new ATOM 0 HG3 GLN A 78 7.665 -4.136 -9.496 1.00 25.14 H new ATOM 0 HE21 GLN A 78 9.260 -2.525 -9.843 1.00 54.34 H new ATOM 0 HE22 GLN A 78 10.461 -2.153 -8.601 1.00 54.34 H new ATOM 1276 N PHE A 79 4.769 -3.840 -6.102 1.00 4.43 N ATOM 1277 CA PHE A 79 4.648 -4.568 -4.856 1.00 13.44 C ATOM 1278 C PHE A 79 3.337 -5.336 -4.743 1.00 62.15 C ATOM 1279 O PHE A 79 3.273 -6.370 -4.070 1.00 31.24 O ATOM 1280 CB PHE A 79 4.811 -3.605 -3.665 1.00 61.41 C ATOM 1281 CG PHE A 79 6.241 -3.285 -3.322 1.00 43.55 C ATOM 1282 CD1 PHE A 79 6.959 -4.107 -2.465 1.00 34.45 C ATOM 1283 CD2 PHE A 79 6.872 -2.175 -3.850 1.00 24.03 C ATOM 1284 CE1 PHE A 79 8.261 -3.828 -2.149 1.00 60.14 C ATOM 1285 CE2 PHE A 79 8.183 -1.890 -3.533 1.00 12.34 C ATOM 1286 CZ PHE A 79 8.875 -2.721 -2.679 1.00 1.43 C ATOM 0 H PHE A 79 4.735 -2.828 -5.983 1.00 4.43 H new ATOM 0 HA PHE A 79 5.446 -5.310 -4.841 1.00 13.44 H new ATOM 0 HB2 PHE A 79 4.286 -2.676 -3.889 1.00 61.41 H new ATOM 0 HB3 PHE A 79 4.328 -4.041 -2.791 1.00 61.41 H new ATOM 0 HD1 PHE A 79 6.484 -4.979 -2.041 1.00 34.45 H new ATOM 0 HD2 PHE A 79 6.331 -1.522 -4.519 1.00 24.03 H new ATOM 0 HE1 PHE A 79 8.806 -4.480 -1.482 1.00 60.14 H new ATOM 0 HE2 PHE A 79 8.665 -1.019 -3.952 1.00 12.34 H new ATOM 0 HZ PHE A 79 9.902 -2.501 -2.426 1.00 1.43 H new ATOM 1296 N LEU A 80 2.303 -4.858 -5.376 1.00 72.14 N ATOM 1297 CA LEU A 80 1.012 -5.492 -5.252 1.00 11.14 C ATOM 1298 C LEU A 80 0.660 -6.483 -6.331 1.00 52.15 C ATOM 1299 O LEU A 80 1.128 -6.397 -7.467 1.00 22.25 O ATOM 1300 CB LEU A 80 -0.129 -4.517 -5.038 1.00 71.20 C ATOM 1301 CG LEU A 80 -0.401 -4.176 -3.595 1.00 43.24 C ATOM 1302 CD1 LEU A 80 0.588 -3.188 -3.048 1.00 71.31 C ATOM 1303 CD2 LEU A 80 -1.833 -3.763 -3.414 1.00 73.22 C ATOM 0 H LEU A 80 2.323 -4.037 -5.981 1.00 72.14 H new ATOM 0 HA LEU A 80 1.139 -6.077 -4.341 1.00 11.14 H new ATOM 0 HB2 LEU A 80 0.090 -3.597 -5.580 1.00 71.20 H new ATOM 0 HB3 LEU A 80 -1.035 -4.937 -5.475 1.00 71.20 H new ATOM 0 HG LEU A 80 -0.255 -5.074 -2.995 1.00 43.24 H new ATOM 0 HD11 LEU A 80 0.350 -2.974 -2.006 1.00 71.31 H new ATOM 0 HD12 LEU A 80 1.593 -3.605 -3.113 1.00 71.31 H new ATOM 0 HD13 LEU A 80 0.540 -2.266 -3.628 1.00 71.31 H new ATOM 0 HD21 LEU A 80 -2.012 -3.520 -2.367 1.00 73.22 H new ATOM 0 HD22 LEU A 80 -2.040 -2.888 -4.030 1.00 73.22 H new ATOM 0 HD23 LEU A 80 -2.488 -4.581 -3.714 1.00 73.22 H new ATOM 1315 N PRO A 81 -0.161 -7.472 -5.956 1.00 64.31 N ATOM 1316 CA PRO A 81 -0.678 -8.477 -6.875 1.00 61.44 C ATOM 1317 C PRO A 81 -1.754 -7.902 -7.808 1.00 2.13 C ATOM 1318 O PRO A 81 -2.630 -7.143 -7.366 1.00 1.42 O ATOM 1319 CB PRO A 81 -1.314 -9.509 -5.934 1.00 35.34 C ATOM 1320 CG PRO A 81 -1.700 -8.727 -4.722 1.00 64.01 C ATOM 1321 CD PRO A 81 -0.652 -7.694 -4.564 1.00 24.11 C ATOM 0 HA PRO A 81 0.099 -8.878 -7.526 1.00 61.44 H new ATOM 0 HB2 PRO A 81 -2.182 -9.982 -6.393 1.00 35.34 H new ATOM 0 HB3 PRO A 81 -0.612 -10.304 -5.685 1.00 35.34 H new ATOM 0 HG2 PRO A 81 -2.683 -8.272 -4.846 1.00 64.01 H new ATOM 0 HG3 PRO A 81 -1.754 -9.368 -3.842 1.00 64.01 H new ATOM 0 HD2 PRO A 81 -1.054 -6.778 -4.131 1.00 24.11 H new ATOM 0 HD3 PRO A 81 0.148 -8.033 -3.906 1.00 24.11 H new ATOM 1329 N GLU A 82 -1.641 -8.232 -9.098 1.00 34.34 N ATOM 1330 CA GLU A 82 -2.645 -7.891 -10.115 1.00 15.21 C ATOM 1331 C GLU A 82 -2.905 -6.386 -10.221 1.00 61.52 C ATOM 1332 O GLU A 82 -4.020 -5.958 -10.470 1.00 13.21 O ATOM 1333 CB GLU A 82 -3.944 -8.654 -9.847 1.00 30.52 C ATOM 1334 CG GLU A 82 -3.799 -10.157 -9.971 1.00 65.32 C ATOM 1335 CD GLU A 82 -5.059 -10.886 -9.614 1.00 61.43 C ATOM 1336 OE1 GLU A 82 -5.917 -11.089 -10.494 1.00 51.11 O ATOM 1337 OE2 GLU A 82 -5.216 -11.278 -8.444 1.00 64.41 O ATOM 0 H GLU A 82 -0.844 -8.748 -9.471 1.00 34.34 H new ATOM 0 HA GLU A 82 -2.240 -8.196 -11.080 1.00 15.21 H new ATOM 0 HB2 GLU A 82 -4.298 -8.413 -8.845 1.00 30.52 H new ATOM 0 HB3 GLU A 82 -4.708 -8.312 -10.545 1.00 30.52 H new ATOM 0 HG2 GLU A 82 -3.515 -10.408 -10.993 1.00 65.32 H new ATOM 0 HG3 GLU A 82 -2.991 -10.496 -9.323 1.00 65.32 H new ATOM 1344 N ALA A 83 -1.857 -5.599 -10.124 1.00 31.10 N ATOM 1345 CA ALA A 83 -1.980 -4.149 -10.235 1.00 74.22 C ATOM 1346 C ALA A 83 -2.349 -3.753 -11.664 1.00 32.14 C ATOM 1347 O ALA A 83 -2.883 -2.675 -11.910 1.00 62.03 O ATOM 1348 CB ALA A 83 -0.698 -3.476 -9.815 1.00 54.41 C ATOM 0 H ALA A 83 -0.906 -5.932 -9.968 1.00 31.10 H new ATOM 0 HA ALA A 83 -2.776 -3.818 -9.568 1.00 74.22 H new ATOM 0 HB1 ALA A 83 -0.808 -2.395 -9.904 1.00 54.41 H new ATOM 0 HB2 ALA A 83 -0.474 -3.734 -8.780 1.00 54.41 H new ATOM 0 HB3 ALA A 83 0.116 -3.812 -10.457 1.00 54.41 H new ATOM 1354 N LYS A 84 -2.043 -4.634 -12.595 1.00 42.22 N ATOM 1355 CA LYS A 84 -2.376 -4.470 -13.988 1.00 41.24 C ATOM 1356 C LYS A 84 -3.859 -4.734 -14.279 1.00 2.51 C ATOM 1357 O LYS A 84 -4.364 -4.357 -15.338 1.00 72.33 O ATOM 1358 CB LYS A 84 -1.522 -5.395 -14.800 1.00 73.14 C ATOM 1359 CG LYS A 84 -0.072 -5.029 -14.681 1.00 1.45 C ATOM 1360 CD LYS A 84 0.809 -5.963 -15.443 1.00 65.04 C ATOM 1361 CE LYS A 84 0.516 -5.970 -16.934 1.00 21.31 C ATOM 1362 NZ LYS A 84 1.433 -6.868 -17.667 1.00 10.03 N ATOM 0 H LYS A 84 -1.545 -5.502 -12.396 1.00 42.22 H new ATOM 0 HA LYS A 84 -2.186 -3.431 -14.258 1.00 41.24 H new ATOM 0 HB2 LYS A 84 -1.671 -6.422 -14.465 1.00 73.14 H new ATOM 0 HB3 LYS A 84 -1.827 -5.354 -15.846 1.00 73.14 H new ATOM 0 HG2 LYS A 84 0.076 -4.013 -15.047 1.00 1.45 H new ATOM 0 HG3 LYS A 84 0.218 -5.035 -13.630 1.00 1.45 H new ATOM 0 HD2 LYS A 84 1.850 -5.683 -15.284 1.00 65.04 H new ATOM 0 HD3 LYS A 84 0.687 -6.972 -15.049 1.00 65.04 H new ATOM 0 HE2 LYS A 84 -0.514 -6.286 -17.101 1.00 21.31 H new ATOM 0 HE3 LYS A 84 0.606 -4.958 -17.327 1.00 21.31 H new ATOM 0 HZ1 LYS A 84 1.203 -6.847 -18.681 1.00 10.03 H new ATOM 0 HZ2 LYS A 84 2.414 -6.551 -17.528 1.00 10.03 H new ATOM 0 HZ3 LYS A 84 1.328 -7.839 -17.309 1.00 10.03 H new ATOM 1376 N ARG A 85 -4.539 -5.380 -13.341 1.00 3.43 N ATOM 1377 CA ARG A 85 -5.952 -5.769 -13.486 1.00 30.43 C ATOM 1378 C ARG A 85 -6.842 -4.535 -13.591 1.00 41.22 C ATOM 1379 O ARG A 85 -6.877 -3.706 -12.665 1.00 73.12 O ATOM 1380 CB ARG A 85 -6.354 -6.602 -12.269 1.00 40.41 C ATOM 1381 CG ARG A 85 -7.741 -7.214 -12.279 1.00 14.51 C ATOM 1382 CD ARG A 85 -7.946 -7.989 -10.984 1.00 52.13 C ATOM 1383 NE ARG A 85 -9.197 -8.749 -10.935 1.00 71.15 N ATOM 1384 CZ ARG A 85 -9.763 -9.206 -9.802 1.00 61.13 C ATOM 1385 NH1 ARG A 85 -9.319 -8.811 -8.618 1.00 54.14 N ATOM 1386 NH2 ARG A 85 -10.816 -10.016 -9.860 1.00 41.42 N ATOM 0 H ARG A 85 -4.130 -5.655 -12.448 1.00 3.43 H new ATOM 0 HA ARG A 85 -6.077 -6.353 -14.398 1.00 30.43 H new ATOM 0 HB2 ARG A 85 -5.629 -7.408 -12.157 1.00 40.41 H new ATOM 0 HB3 ARG A 85 -6.269 -5.971 -11.384 1.00 40.41 H new ATOM 0 HG2 ARG A 85 -8.497 -6.434 -12.376 1.00 14.51 H new ATOM 0 HG3 ARG A 85 -7.855 -7.876 -13.137 1.00 14.51 H new ATOM 0 HD2 ARG A 85 -7.110 -8.676 -10.848 1.00 52.13 H new ATOM 0 HD3 ARG A 85 -7.924 -7.290 -10.148 1.00 52.13 H new ATOM 0 HE ARG A 85 -9.670 -8.945 -11.817 1.00 71.15 H new ATOM 0 HH11 ARG A 85 -8.541 -8.154 -8.558 1.00 54.14 H new ATOM 0 HH12 ARG A 85 -9.755 -9.164 -7.766 1.00 54.14 H new ATOM 0 HH21 ARG A 85 -11.197 -10.293 -10.765 1.00 41.42 H new ATOM 0 HH22 ARG A 85 -11.242 -10.360 -9.000 1.00 41.42 H new TER 1400 ARG A 85