USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 809 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 65 ASN : amide:sc= -3.08! C(o=-8.4!,f=-11!) USER MOD Set 1.2: A 88 MET CE :methyl -122:sc= -5.3 (180deg=-6.96!) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.33 X(o=-2.5,f=-2.1) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= -1.19 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 60:sc= 0.227 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -163:sc= -0.569 (180deg=-1.48!) USER MOD Single : A 29 MET CE :methyl -149:sc= -0.629 (180deg=-1.96) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -1.5 F(o=-2,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 40:sc= -0.231 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -13:sc= 0.00326 USER MOD Single : A 47 SER OG : rot -102:sc= 0.0742 USER MOD Single : A 56 SER OG : rot -58:sc= 0.816 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 28:sc= 0.514 USER MOD Single : A 74 TYR OH : rot 159:sc= 0.0651 USER MOD Single : A 83 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 160:sc= -0.677 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.285 19.510 -19.326 1.00 0.00 N ATOM 2 CA GLY A 1 15.185 18.592 -19.085 1.00 0.00 C ATOM 3 C GLY A 1 13.956 19.336 -18.559 1.00 0.00 C ATOM 4 O GLY A 1 13.969 19.855 -17.444 1.00 0.00 O ATOM 0 H1 GLY A 1 17.107 18.981 -19.682 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.998 20.219 -20.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.539 19.988 -18.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.932 18.072 -20.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.491 17.833 -18.365 1.00 0.00 H new ATOM 8 N SER A 2 12.921 19.363 -19.387 1.00 0.00 N ATOM 9 CA SER A 2 11.686 20.034 -19.019 1.00 0.00 C ATOM 10 C SER A 2 10.934 19.209 -17.973 1.00 0.00 C ATOM 11 O SER A 2 10.657 19.694 -16.877 1.00 0.00 O ATOM 12 CB SER A 2 10.802 20.271 -20.245 1.00 0.00 C ATOM 13 OG SER A 2 11.185 21.442 -20.962 1.00 0.00 O ATOM 0 H SER A 2 12.913 18.931 -20.311 1.00 0.00 H new ATOM 0 HA SER A 2 11.938 21.005 -18.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.860 19.406 -20.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.763 20.363 -19.930 1.00 0.00 H new ATOM 0 HG SER A 2 10.598 21.557 -21.738 1.00 0.00 H new ATOM 19 N SER A 3 10.623 17.977 -18.350 1.00 0.00 N ATOM 20 CA SER A 3 9.908 17.081 -17.458 1.00 0.00 C ATOM 21 C SER A 3 10.057 15.636 -17.938 1.00 0.00 C ATOM 22 O SER A 3 10.559 15.391 -19.034 1.00 0.00 O ATOM 23 CB SER A 3 8.429 17.459 -17.366 1.00 0.00 C ATOM 24 OG SER A 3 7.755 17.286 -18.610 1.00 0.00 O ATOM 0 H SER A 3 10.853 17.579 -19.261 1.00 0.00 H new ATOM 0 HA SER A 3 10.341 17.173 -16.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.945 16.848 -16.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.339 18.497 -17.046 1.00 0.00 H new ATOM 0 HG SER A 3 6.813 17.536 -18.509 1.00 0.00 H new ATOM 30 N GLY A 4 9.612 14.716 -17.094 1.00 0.00 N ATOM 31 CA GLY A 4 9.690 13.302 -17.420 1.00 0.00 C ATOM 32 C GLY A 4 9.114 12.447 -16.289 1.00 0.00 C ATOM 33 O GLY A 4 8.939 12.928 -15.170 1.00 0.00 O ATOM 0 H GLY A 4 9.197 14.922 -16.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.144 13.107 -18.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.728 13.023 -17.599 1.00 0.00 H new ATOM 37 N SER A 5 8.836 11.195 -16.620 1.00 0.00 N ATOM 38 CA SER A 5 8.284 10.268 -15.646 1.00 0.00 C ATOM 39 C SER A 5 8.108 8.887 -16.279 1.00 0.00 C ATOM 40 O SER A 5 7.927 8.774 -17.491 1.00 0.00 O ATOM 41 CB SER A 5 6.948 10.776 -15.099 1.00 0.00 C ATOM 42 OG SER A 5 7.061 11.234 -13.754 1.00 0.00 O ATOM 0 H SER A 5 8.983 10.800 -17.549 1.00 0.00 H new ATOM 0 HA SER A 5 8.982 10.191 -14.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.583 11.587 -15.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.208 9.977 -15.149 1.00 0.00 H new ATOM 0 HG SER A 5 7.707 11.970 -13.712 1.00 0.00 H new ATOM 48 N SER A 6 8.167 7.870 -15.432 1.00 0.00 N ATOM 49 CA SER A 6 8.016 6.501 -15.893 1.00 0.00 C ATOM 50 C SER A 6 8.243 5.530 -14.733 1.00 0.00 C ATOM 51 O SER A 6 9.020 5.814 -13.823 1.00 0.00 O ATOM 52 CB SER A 6 8.984 6.196 -17.038 1.00 0.00 C ATOM 53 OG SER A 6 8.310 5.688 -18.186 1.00 0.00 O ATOM 0 H SER A 6 8.318 7.967 -14.428 1.00 0.00 H new ATOM 0 HA SER A 6 7.000 6.377 -16.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.525 7.103 -17.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.725 5.471 -16.702 1.00 0.00 H new ATOM 0 HG SER A 6 8.962 5.508 -18.895 1.00 0.00 H new ATOM 59 N GLY A 7 7.550 4.403 -14.803 1.00 0.00 N ATOM 60 CA GLY A 7 7.666 3.388 -13.770 1.00 0.00 C ATOM 61 C GLY A 7 6.689 2.237 -14.019 1.00 0.00 C ATOM 62 O GLY A 7 5.698 2.402 -14.729 1.00 0.00 O ATOM 0 H GLY A 7 6.906 4.170 -15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.686 3.005 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.468 3.833 -12.795 1.00 0.00 H new ATOM 66 N TYR A 8 7.003 1.096 -13.422 1.00 0.00 N ATOM 67 CA TYR A 8 6.166 -0.082 -13.571 1.00 0.00 C ATOM 68 C TYR A 8 5.281 -0.284 -12.340 1.00 0.00 C ATOM 69 O TYR A 8 5.735 -0.112 -11.209 1.00 0.00 O ATOM 70 CB TYR A 8 7.124 -1.268 -13.696 1.00 0.00 C ATOM 71 CG TYR A 8 8.116 -1.391 -12.537 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.707 -1.931 -11.335 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.418 -0.963 -12.695 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.641 -2.047 -10.244 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.351 -1.079 -11.605 1.00 0.00 C ATOM 76 CZ TYR A 8 9.916 -1.616 -10.433 1.00 0.00 C ATOM 77 OH TYR A 8 10.798 -1.726 -9.403 1.00 0.00 O ATOM 0 H TYR A 8 7.826 0.963 -12.834 1.00 0.00 H new ATOM 0 HA TYR A 8 5.512 0.019 -14.437 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.542 -2.187 -13.762 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.680 -1.176 -14.629 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.688 -2.266 -11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.737 -0.541 -13.636 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.335 -2.467 -9.297 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.373 -0.747 -11.715 1.00 0.00 H new ATOM 0 HH TYR A 8 11.671 -1.380 -9.682 1.00 0.00 H new ATOM 87 N VAL A 9 4.033 -0.647 -12.600 1.00 0.00 N ATOM 88 CA VAL A 9 3.080 -0.874 -11.527 1.00 0.00 C ATOM 89 C VAL A 9 3.099 -2.354 -11.139 1.00 0.00 C ATOM 90 O VAL A 9 3.524 -3.200 -11.925 1.00 0.00 O ATOM 91 CB VAL A 9 1.693 -0.384 -11.946 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.709 -0.457 -10.777 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.762 1.034 -12.517 1.00 0.00 C ATOM 0 H VAL A 9 3.660 -0.789 -13.539 1.00 0.00 H new ATOM 0 HA VAL A 9 3.358 -0.302 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 9 1.328 -1.045 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.269 -0.103 -11.102 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.626 -1.489 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.068 0.168 -9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.763 1.358 -12.807 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.158 1.712 -11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.414 1.043 -13.390 1.00 0.00 H new ATOM 103 N PHE A 10 2.634 -2.622 -9.928 1.00 0.00 N ATOM 104 CA PHE A 10 2.592 -3.985 -9.427 1.00 0.00 C ATOM 105 C PHE A 10 1.336 -4.222 -8.586 1.00 0.00 C ATOM 106 O PHE A 10 0.940 -3.364 -7.799 1.00 0.00 O ATOM 107 CB PHE A 10 3.826 -4.174 -8.542 1.00 0.00 C ATOM 108 CG PHE A 10 3.748 -3.443 -7.201 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.161 -2.150 -7.106 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.266 -4.085 -6.103 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.089 -1.471 -5.861 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.194 -3.406 -4.858 1.00 0.00 C ATOM 113 CZ PHE A 10 3.607 -2.113 -4.763 1.00 0.00 C ATOM 0 H PHE A 10 2.283 -1.918 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 10 2.577 -4.687 -10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.967 -5.239 -8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.705 -3.826 -9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.544 -1.640 -7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.938 -5.111 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.417 -0.445 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.811 -3.916 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.552 -1.597 -3.816 1.00 0.00 H new ATOM 123 N THR A 11 0.743 -5.390 -8.783 1.00 0.00 N ATOM 124 CA THR A 11 -0.461 -5.751 -8.053 1.00 0.00 C ATOM 125 C THR A 11 -0.101 -6.328 -6.683 1.00 0.00 C ATOM 126 O THR A 11 1.038 -6.734 -6.456 1.00 0.00 O ATOM 127 CB THR A 11 -1.272 -6.713 -8.924 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.599 -5.944 -10.078 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.629 -7.058 -8.308 1.00 0.00 C ATOM 0 H THR A 11 1.074 -6.099 -9.438 1.00 0.00 H new ATOM 0 HA THR A 11 -1.078 -4.876 -7.850 1.00 0.00 H new ATOM 0 HB THR A 11 -0.702 -7.629 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.124 -6.492 -10.698 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.164 -7.743 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.478 -7.530 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.213 -6.147 -8.181 1.00 0.00 H new ATOM 137 N VAL A 12 -1.093 -6.347 -5.805 1.00 0.00 N ATOM 138 CA VAL A 12 -0.895 -6.868 -4.463 1.00 0.00 C ATOM 139 C VAL A 12 -2.147 -7.631 -4.027 1.00 0.00 C ATOM 140 O VAL A 12 -3.206 -7.035 -3.834 1.00 0.00 O ATOM 141 CB VAL A 12 -0.525 -5.730 -3.509 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.431 -6.218 -2.418 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.072 -4.547 -4.273 1.00 0.00 C ATOM 0 H VAL A 12 -2.036 -6.010 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.063 -7.572 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.439 -5.388 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.678 -5.390 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.046 -7.013 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.343 -6.599 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.326 -3.752 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.971 -4.869 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.656 -4.175 -4.995 1.00 0.00 H new ATOM 153 N GLU A 13 -1.985 -8.938 -3.884 1.00 0.00 N ATOM 154 CA GLU A 13 -3.090 -9.789 -3.474 1.00 0.00 C ATOM 155 C GLU A 13 -2.944 -10.175 -2.000 1.00 0.00 C ATOM 156 O GLU A 13 -2.139 -11.040 -1.658 1.00 0.00 O ATOM 157 CB GLU A 13 -3.182 -11.033 -4.360 1.00 0.00 C ATOM 158 CG GLU A 13 -3.947 -10.731 -5.650 1.00 0.00 C ATOM 159 CD GLU A 13 -3.952 -11.945 -6.581 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.943 -12.113 -7.300 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.964 -12.678 -6.553 1.00 0.00 O ATOM 0 H GLU A 13 -1.105 -9.429 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.018 -9.229 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.180 -11.387 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.681 -11.835 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.972 -10.447 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.491 -9.881 -6.157 1.00 0.00 H new ATOM 168 N LEU A 14 -3.735 -9.515 -1.167 1.00 0.00 N ATOM 169 CA LEU A 14 -3.704 -9.778 0.261 1.00 0.00 C ATOM 170 C LEU A 14 -4.991 -10.497 0.671 1.00 0.00 C ATOM 171 O LEU A 14 -5.999 -10.421 -0.030 1.00 0.00 O ATOM 172 CB LEU A 14 -3.448 -8.486 1.039 1.00 0.00 C ATOM 173 CG LEU A 14 -2.058 -7.867 0.873 1.00 0.00 C ATOM 174 CD1 LEU A 14 -0.966 -8.932 0.994 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.957 -7.090 -0.441 1.00 0.00 C ATOM 0 H LEU A 14 -4.402 -8.798 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.875 -10.441 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.191 -7.749 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.611 -8.685 2.098 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.903 -7.153 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.012 -8.466 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.024 -9.403 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.107 -9.687 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.960 -6.660 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.141 -7.764 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.698 -6.291 -0.449 1.00 0.00 H new ATOM 187 N GLU A 15 -4.915 -11.179 1.804 1.00 0.00 N ATOM 188 CA GLU A 15 -6.061 -11.912 2.315 1.00 0.00 C ATOM 189 C GLU A 15 -6.575 -11.262 3.602 1.00 0.00 C ATOM 190 O GLU A 15 -5.912 -11.318 4.637 1.00 0.00 O ATOM 191 CB GLU A 15 -5.713 -13.384 2.545 1.00 0.00 C ATOM 192 CG GLU A 15 -6.814 -14.090 3.340 1.00 0.00 C ATOM 193 CD GLU A 15 -6.720 -15.608 3.176 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.012 -16.077 2.054 1.00 0.00 O ATOM 195 OE2 GLU A 15 -6.359 -16.266 4.175 1.00 0.00 O ATOM 0 H GLU A 15 -4.077 -11.240 2.383 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.855 -11.873 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.575 -13.883 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.767 -13.458 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.731 -13.829 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.791 -13.744 3.002 1.00 0.00 H new ATOM 202 N ARG A 16 -7.751 -10.662 3.495 1.00 0.00 N ATOM 203 CA ARG A 16 -8.361 -10.003 4.637 1.00 0.00 C ATOM 204 C ARG A 16 -8.121 -10.816 5.910 1.00 0.00 C ATOM 205 O ARG A 16 -8.730 -11.867 6.103 1.00 0.00 O ATOM 206 CB ARG A 16 -9.866 -9.824 4.430 1.00 0.00 C ATOM 207 CG ARG A 16 -10.392 -8.632 5.233 1.00 0.00 C ATOM 208 CD ARG A 16 -11.919 -8.666 5.327 1.00 0.00 C ATOM 209 NE ARG A 16 -12.346 -8.398 6.719 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.625 -8.316 7.110 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.610 -8.481 6.217 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.919 -8.070 8.394 1.00 0.00 N ATOM 0 H ARG A 16 -8.298 -10.618 2.635 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.900 -9.020 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.076 -9.675 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.389 -10.731 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.962 -8.645 6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.074 -7.702 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.350 -7.923 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.290 -9.639 5.005 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.621 -8.268 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.386 -8.669 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.584 -8.419 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.169 -7.945 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.893 -8.008 8.691 1.00 0.00 H new ATOM 226 N GLY A 17 -7.232 -10.300 6.746 1.00 0.00 N ATOM 227 CA GLY A 17 -6.904 -10.966 7.995 1.00 0.00 C ATOM 228 C GLY A 17 -8.014 -10.768 9.030 1.00 0.00 C ATOM 229 O GLY A 17 -9.082 -10.249 8.708 1.00 0.00 O ATOM 0 H GLY A 17 -6.729 -9.428 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.755 -12.031 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.964 -10.574 8.385 1.00 0.00 H new ATOM 233 N PRO A 18 -7.716 -11.204 10.283 1.00 0.00 N ATOM 234 CA PRO A 18 -8.676 -11.081 11.366 1.00 0.00 C ATOM 235 C PRO A 18 -8.769 -9.633 11.854 1.00 0.00 C ATOM 236 O PRO A 18 -9.600 -9.313 12.703 1.00 0.00 O ATOM 237 CB PRO A 18 -8.184 -12.039 12.439 1.00 0.00 C ATOM 238 CG PRO A 18 -6.725 -12.315 12.114 1.00 0.00 C ATOM 239 CD PRO A 18 -6.462 -11.824 10.700 1.00 0.00 C ATOM 0 HA PRO A 18 -9.691 -11.335 11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.287 -11.600 13.431 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.766 -12.961 12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.073 -11.805 12.823 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.511 -13.381 12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.640 -11.109 10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.188 -12.647 10.040 1.00 0.00 H new ATOM 247 N SER A 19 -7.904 -8.798 11.298 1.00 0.00 N ATOM 248 CA SER A 19 -7.877 -7.393 11.666 1.00 0.00 C ATOM 249 C SER A 19 -8.289 -6.531 10.470 1.00 0.00 C ATOM 250 O SER A 19 -8.440 -5.317 10.598 1.00 0.00 O ATOM 251 CB SER A 19 -6.491 -6.980 12.165 1.00 0.00 C ATOM 252 OG SER A 19 -5.959 -7.917 13.097 1.00 0.00 O ATOM 0 H SER A 19 -7.216 -9.068 10.595 1.00 0.00 H new ATOM 0 HA SER A 19 -8.586 -7.239 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.813 -6.887 11.317 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.552 -5.998 12.633 1.00 0.00 H new ATOM 0 HG SER A 19 -5.073 -7.619 13.391 1.00 0.00 H new ATOM 258 N GLY A 20 -8.460 -7.193 9.335 1.00 0.00 N ATOM 259 CA GLY A 20 -8.852 -6.503 8.118 1.00 0.00 C ATOM 260 C GLY A 20 -7.628 -5.962 7.376 1.00 0.00 C ATOM 261 O GLY A 20 -7.603 -4.800 6.976 1.00 0.00 O ATOM 0 H GLY A 20 -8.334 -8.200 9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.402 -7.185 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.526 -5.682 8.362 1.00 0.00 H new ATOM 265 N LEU A 21 -6.641 -6.832 7.216 1.00 0.00 N ATOM 266 CA LEU A 21 -5.417 -6.457 6.529 1.00 0.00 C ATOM 267 C LEU A 21 -4.481 -5.753 7.513 1.00 0.00 C ATOM 268 O LEU A 21 -4.335 -6.186 8.655 1.00 0.00 O ATOM 269 CB LEU A 21 -5.734 -5.629 5.282 1.00 0.00 C ATOM 270 CG LEU A 21 -6.945 -6.084 4.465 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.812 -4.891 4.058 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.510 -6.914 3.256 1.00 0.00 C ATOM 0 H LEU A 21 -6.664 -7.795 7.550 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.895 -7.344 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.895 -4.595 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.859 -5.637 4.633 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.559 -6.728 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.666 -5.242 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.167 -4.377 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.222 -4.202 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.390 -7.225 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.863 -6.314 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.967 -7.796 3.596 1.00 0.00 H new ATOM 284 N GLY A 22 -3.870 -4.679 7.034 1.00 0.00 N ATOM 285 CA GLY A 22 -2.952 -3.911 7.857 1.00 0.00 C ATOM 286 C GLY A 22 -2.189 -2.885 7.017 1.00 0.00 C ATOM 287 O GLY A 22 -1.011 -3.073 6.720 1.00 0.00 O ATOM 0 H GLY A 22 -3.993 -4.323 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.505 -3.401 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.247 -4.583 8.345 1.00 0.00 H new ATOM 291 N MET A 23 -2.894 -1.821 6.658 1.00 0.00 N ATOM 292 CA MET A 23 -2.298 -0.765 5.858 1.00 0.00 C ATOM 293 C MET A 23 -2.840 0.606 6.269 1.00 0.00 C ATOM 294 O MET A 23 -4.048 0.835 6.238 1.00 0.00 O ATOM 295 CB MET A 23 -2.602 -1.011 4.379 1.00 0.00 C ATOM 296 CG MET A 23 -1.337 -1.420 3.620 1.00 0.00 C ATOM 297 SD MET A 23 -1.632 -1.350 1.861 1.00 0.00 S ATOM 298 CE MET A 23 -3.292 -2.002 1.798 1.00 0.00 C ATOM 0 H MET A 23 -3.871 -1.668 6.907 1.00 0.00 H new ATOM 0 HA MET A 23 -1.221 -0.774 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.356 -1.792 4.284 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.021 -0.108 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.513 -0.757 3.886 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.040 -2.429 3.908 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.523 -2.310 0.778 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.371 -2.861 2.464 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.997 -1.233 2.113 1.00 0.00 H new ATOM 308 N GLY A 24 -1.920 1.482 6.644 1.00 0.00 N ATOM 309 CA GLY A 24 -2.290 2.824 7.060 1.00 0.00 C ATOM 310 C GLY A 24 -2.197 3.806 5.891 1.00 0.00 C ATOM 311 O GLY A 24 -1.234 4.564 5.786 1.00 0.00 O ATOM 0 H GLY A 24 -0.919 1.289 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.306 2.819 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.635 3.152 7.868 1.00 0.00 H new ATOM 315 N LEU A 25 -3.213 3.762 5.041 1.00 0.00 N ATOM 316 CA LEU A 25 -3.259 4.639 3.883 1.00 0.00 C ATOM 317 C LEU A 25 -3.511 6.075 4.346 1.00 0.00 C ATOM 318 O LEU A 25 -4.172 6.297 5.359 1.00 0.00 O ATOM 319 CB LEU A 25 -4.283 4.131 2.867 1.00 0.00 C ATOM 320 CG LEU A 25 -4.083 2.697 2.371 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.595 2.350 2.285 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.854 1.703 3.242 1.00 0.00 C ATOM 0 H LEU A 25 -4.011 3.133 5.131 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.301 4.635 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.275 4.205 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.271 4.797 2.005 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.490 2.624 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.480 1.326 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.102 3.032 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.142 2.445 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.695 0.692 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.500 1.769 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.918 1.939 3.209 1.00 0.00 H new ATOM 334 N ILE A 26 -2.971 7.013 3.581 1.00 0.00 N ATOM 335 CA ILE A 26 -3.130 8.421 3.900 1.00 0.00 C ATOM 336 C ILE A 26 -3.277 9.220 2.603 1.00 0.00 C ATOM 337 O ILE A 26 -2.794 8.800 1.553 1.00 0.00 O ATOM 338 CB ILE A 26 -1.982 8.902 4.791 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.243 10.319 5.303 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.641 8.792 4.063 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.684 10.503 6.716 1.00 0.00 C ATOM 0 H ILE A 26 -2.423 6.825 2.741 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.040 8.580 4.478 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.929 8.250 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.785 11.043 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.315 10.518 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.158 9.140 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.460 7.753 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.665 9.405 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.883 11.519 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.162 9.794 7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.608 10.327 6.707 1.00 0.00 H new ATOM 353 N ASP A 27 -3.948 10.357 2.719 1.00 0.00 N ATOM 354 CA ASP A 27 -4.165 11.218 1.569 1.00 0.00 C ATOM 355 C ASP A 27 -2.876 11.980 1.257 1.00 0.00 C ATOM 356 O ASP A 27 -2.337 12.674 2.118 1.00 0.00 O ATOM 357 CB ASP A 27 -5.265 12.244 1.849 1.00 0.00 C ATOM 358 CG ASP A 27 -5.174 12.933 3.212 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.234 12.201 4.223 1.00 0.00 O ATOM 360 OD2 ASP A 27 -5.048 14.177 3.211 1.00 0.00 O ATOM 0 H ASP A 27 -4.348 10.702 3.592 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.463 10.590 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.237 13.006 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.232 11.747 1.774 1.00 0.00 H new ATOM 365 N GLY A 28 -2.418 11.826 0.024 1.00 0.00 N ATOM 366 CA GLY A 28 -1.202 12.491 -0.412 1.00 0.00 C ATOM 367 C GLY A 28 -1.221 13.973 -0.031 1.00 0.00 C ATOM 368 O GLY A 28 -0.170 14.603 0.078 1.00 0.00 O ATOM 0 H GLY A 28 -2.867 11.250 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.336 12.007 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.096 12.391 -1.492 1.00 0.00 H new ATOM 372 N MET A 29 -2.427 14.486 0.161 1.00 0.00 N ATOM 373 CA MET A 29 -2.596 15.882 0.528 1.00 0.00 C ATOM 374 C MET A 29 -2.174 16.123 1.979 1.00 0.00 C ATOM 375 O MET A 29 -1.754 17.223 2.332 1.00 0.00 O ATOM 376 CB MET A 29 -4.062 16.282 0.350 1.00 0.00 C ATOM 377 CG MET A 29 -4.574 15.888 -1.037 1.00 0.00 C ATOM 378 SD MET A 29 -5.076 17.344 -1.939 1.00 0.00 S ATOM 379 CE MET A 29 -3.798 17.392 -3.184 1.00 0.00 C ATOM 0 H MET A 29 -3.296 13.961 0.069 1.00 0.00 H new ATOM 0 HA MET A 29 -1.963 16.488 -0.120 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.670 15.800 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.168 17.358 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.793 15.361 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.415 15.201 -0.942 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.601 18.427 -3.464 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.887 16.944 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.124 16.835 -4.062 1.00 0.00 H new ATOM 389 N HIS A 30 -2.299 15.075 2.780 1.00 0.00 N ATOM 390 CA HIS A 30 -1.936 15.158 4.184 1.00 0.00 C ATOM 391 C HIS A 30 -0.415 15.064 4.327 1.00 0.00 C ATOM 392 O HIS A 30 0.177 15.745 5.163 1.00 0.00 O ATOM 393 CB HIS A 30 -2.675 14.097 5.001 1.00 0.00 C ATOM 394 CG HIS A 30 -3.910 14.611 5.702 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.626 15.757 5.519 1.00 0.00 N flip ATOM 396 CD2 HIS A 30 -4.537 13.917 6.722 1.00 0.00 C flip ATOM 397 CE1 HIS A 30 -5.636 15.763 6.380 1.00 0.00 C flip ATOM 398 NE2 HIS A 30 -5.583 14.622 7.127 1.00 0.00 N flip ATOM 0 H HIS A 30 -2.647 14.163 2.483 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.246 16.123 4.587 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.959 13.278 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.993 13.685 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.226 12.962 7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.378 16.542 6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.234 14.358 7.867 1.00 0.00 H new ATOM 406 N THR A 31 0.173 14.214 3.498 1.00 0.00 N ATOM 407 CA THR A 31 1.613 14.022 3.521 1.00 0.00 C ATOM 408 C THR A 31 2.315 15.153 2.766 1.00 0.00 C ATOM 409 O THR A 31 1.749 15.728 1.838 1.00 0.00 O ATOM 410 CB THR A 31 1.914 12.634 2.953 1.00 0.00 C ATOM 411 OG1 THR A 31 1.035 12.517 1.838 1.00 0.00 O ATOM 412 CG2 THR A 31 1.476 11.509 3.893 1.00 0.00 C ATOM 0 H THR A 31 -0.322 13.651 2.806 1.00 0.00 H new ATOM 0 HA THR A 31 2.001 14.064 4.539 1.00 0.00 H new ATOM 0 HB THR A 31 2.982 12.547 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.000 13.371 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.713 10.545 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.001 11.604 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.402 11.576 4.064 1.00 0.00 H new ATOM 420 N HIS A 32 3.537 15.437 3.193 1.00 0.00 N ATOM 421 CA HIS A 32 4.321 16.489 2.568 1.00 0.00 C ATOM 422 C HIS A 32 4.112 16.454 1.053 1.00 0.00 C ATOM 423 O HIS A 32 4.094 17.497 0.401 1.00 0.00 O ATOM 424 CB HIS A 32 5.794 16.377 2.966 1.00 0.00 C ATOM 425 CG HIS A 32 6.180 17.241 4.143 1.00 0.00 C ATOM 426 ND1 HIS A 32 5.655 17.058 5.411 1.00 0.00 N ATOM 427 CD2 HIS A 32 7.043 18.293 4.232 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.185 17.966 6.218 1.00 0.00 C ATOM 429 NE2 HIS A 32 7.045 18.730 5.485 1.00 0.00 N ATOM 0 H HIS A 32 4.003 14.957 3.963 1.00 0.00 H new ATOM 0 HA HIS A 32 3.981 17.462 2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.017 15.337 3.203 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.412 16.649 2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.626 18.701 3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.973 18.081 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.599 19.509 5.841 1.00 0.00 H new ATOM 437 N LEU A 33 3.960 15.244 0.536 1.00 0.00 N ATOM 438 CA LEU A 33 3.753 15.059 -0.890 1.00 0.00 C ATOM 439 C LEU A 33 2.821 16.155 -1.411 1.00 0.00 C ATOM 440 O LEU A 33 2.941 16.583 -2.558 1.00 0.00 O ATOM 441 CB LEU A 33 3.258 13.641 -1.180 1.00 0.00 C ATOM 442 CG LEU A 33 3.719 13.028 -2.504 1.00 0.00 C ATOM 443 CD1 LEU A 33 5.044 12.281 -2.330 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.632 12.134 -3.103 1.00 0.00 C ATOM 0 H LEU A 33 3.976 14.381 1.080 1.00 0.00 H new ATOM 0 HA LEU A 33 4.695 15.158 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.584 12.991 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.168 13.648 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 33 3.896 13.838 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.350 11.855 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.809 12.974 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.918 11.482 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.986 11.711 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.400 11.328 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.735 12.725 -3.286 1.00 0.00 H new ATOM 456 N GLY A 34 1.912 16.577 -0.544 1.00 0.00 N ATOM 457 CA GLY A 34 0.960 17.614 -0.903 1.00 0.00 C ATOM 458 C GLY A 34 0.349 17.345 -2.280 1.00 0.00 C ATOM 459 O GLY A 34 -0.101 18.270 -2.954 1.00 0.00 O ATOM 0 H GLY A 34 1.815 16.219 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.170 17.662 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.457 18.584 -0.905 1.00 0.00 H new ATOM 463 N ALA A 35 0.354 16.075 -2.656 1.00 0.00 N ATOM 464 CA ALA A 35 -0.194 15.672 -3.940 1.00 0.00 C ATOM 465 C ALA A 35 -1.467 14.854 -3.713 1.00 0.00 C ATOM 466 O ALA A 35 -1.640 14.250 -2.656 1.00 0.00 O ATOM 467 CB ALA A 35 0.865 14.898 -4.727 1.00 0.00 C ATOM 0 H ALA A 35 0.729 15.311 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.466 16.546 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.454 14.596 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.736 15.534 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.161 14.012 -4.165 1.00 0.00 H new ATOM 473 N PRO A 36 -2.346 14.859 -4.750 1.00 0.00 N ATOM 474 CA PRO A 36 -3.597 14.124 -4.674 1.00 0.00 C ATOM 475 C PRO A 36 -3.361 12.621 -4.837 1.00 0.00 C ATOM 476 O PRO A 36 -2.490 12.205 -5.598 1.00 0.00 O ATOM 477 CB PRO A 36 -4.466 14.711 -5.775 1.00 0.00 C ATOM 478 CG PRO A 36 -3.514 15.424 -6.721 1.00 0.00 C ATOM 479 CD PRO A 36 -2.174 15.562 -6.018 1.00 0.00 C ATOM 0 HA PRO A 36 -4.084 14.223 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.020 13.929 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.201 15.404 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.403 14.860 -7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.907 16.405 -6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.370 15.123 -6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.917 16.609 -5.858 1.00 0.00 H new ATOM 487 N GLY A 37 -4.154 11.848 -4.109 1.00 0.00 N ATOM 488 CA GLY A 37 -4.042 10.400 -4.163 1.00 0.00 C ATOM 489 C GLY A 37 -3.823 9.815 -2.766 1.00 0.00 C ATOM 490 O GLY A 37 -3.631 10.554 -1.803 1.00 0.00 O ATOM 0 H GLY A 37 -4.876 12.197 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.947 9.978 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.213 10.120 -4.813 1.00 0.00 H new ATOM 494 N LEU A 38 -3.859 8.492 -2.702 1.00 0.00 N ATOM 495 CA LEU A 38 -3.668 7.798 -1.440 1.00 0.00 C ATOM 496 C LEU A 38 -2.359 7.008 -1.490 1.00 0.00 C ATOM 497 O LEU A 38 -1.975 6.502 -2.544 1.00 0.00 O ATOM 498 CB LEU A 38 -4.891 6.942 -1.107 1.00 0.00 C ATOM 499 CG LEU A 38 -6.143 7.702 -0.666 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.401 6.857 -0.875 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.010 8.184 0.780 1.00 0.00 C ATOM 0 H LEU A 38 -4.018 7.882 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.578 8.513 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.142 6.346 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.617 6.244 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.243 8.588 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.276 7.422 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.499 6.606 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.325 5.941 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.913 8.721 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.872 7.326 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.150 8.848 0.864 1.00 0.00 H new ATOM 513 N TYR A 39 -1.708 6.927 -0.339 1.00 0.00 N ATOM 514 CA TYR A 39 -0.451 6.206 -0.239 1.00 0.00 C ATOM 515 C TYR A 39 -0.335 5.489 1.108 1.00 0.00 C ATOM 516 O TYR A 39 -1.048 5.819 2.054 1.00 0.00 O ATOM 517 CB TYR A 39 0.650 7.264 -0.337 1.00 0.00 C ATOM 518 CG TYR A 39 0.559 8.144 -1.585 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.464 9.061 -1.710 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.500 8.020 -2.587 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.550 9.889 -2.885 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.415 8.847 -3.762 1.00 0.00 C ATOM 523 CZ TYR A 39 0.394 9.741 -3.853 1.00 0.00 C ATOM 524 OH TYR A 39 0.313 10.523 -4.963 1.00 0.00 O ATOM 0 H TYR A 39 -2.028 7.349 0.533 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.378 5.452 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.608 7.900 0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.620 6.766 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.201 9.158 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.301 7.302 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.346 10.611 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.145 8.760 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.565 10.957 -4.994 1.00 0.00 H new ATOM 534 N ILE A 40 0.570 4.522 1.151 1.00 0.00 N ATOM 535 CA ILE A 40 0.788 3.756 2.366 1.00 0.00 C ATOM 536 C ILE A 40 1.577 4.606 3.365 1.00 0.00 C ATOM 537 O ILE A 40 2.665 5.086 3.053 1.00 0.00 O ATOM 538 CB ILE A 40 1.451 2.415 2.042 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.622 1.625 1.028 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.714 1.612 3.317 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.197 0.222 0.823 1.00 0.00 C ATOM 0 H ILE A 40 1.160 4.252 0.364 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.164 3.510 2.837 1.00 0.00 H new ATOM 0 HB ILE A 40 2.419 2.614 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.409 1.552 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.602 2.156 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.185 0.664 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.374 2.178 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.770 1.421 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.589 -0.318 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.220 0.298 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.193 -0.315 1.771 1.00 0.00 H new ATOM 553 N GLN A 41 0.996 4.766 4.545 1.00 0.00 N ATOM 554 CA GLN A 41 1.630 5.549 5.591 1.00 0.00 C ATOM 555 C GLN A 41 2.225 4.627 6.658 1.00 0.00 C ATOM 556 O GLN A 41 3.234 4.959 7.278 1.00 0.00 O ATOM 557 CB GLN A 41 0.642 6.539 6.211 1.00 0.00 C ATOM 558 CG GLN A 41 1.378 7.681 6.914 1.00 0.00 C ATOM 559 CD GLN A 41 0.703 8.033 8.241 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.286 7.175 9.002 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.620 9.340 8.476 1.00 0.00 N ATOM 0 H GLN A 41 0.093 4.366 4.800 1.00 0.00 H new ATOM 0 HA GLN A 41 2.440 6.126 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.008 6.944 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.002 6.020 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.414 7.395 7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.397 8.558 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.989 10.005 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.187 9.677 9.336 1.00 0.00 H new ATOM 570 N THR A 42 1.573 3.488 6.840 1.00 0.00 N ATOM 571 CA THR A 42 2.024 2.516 7.821 1.00 0.00 C ATOM 572 C THR A 42 1.585 1.107 7.418 1.00 0.00 C ATOM 573 O THR A 42 0.738 0.945 6.540 1.00 0.00 O ATOM 574 CB THR A 42 1.498 2.948 9.191 1.00 0.00 C ATOM 575 OG1 THR A 42 0.257 3.587 8.901 1.00 0.00 O ATOM 576 CG2 THR A 42 2.347 4.053 9.823 1.00 0.00 C ATOM 0 H THR A 42 0.736 3.217 6.324 1.00 0.00 H new ATOM 0 HA THR A 42 3.112 2.481 7.871 1.00 0.00 H new ATOM 0 HB THR A 42 1.471 2.086 9.857 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.154 3.897 9.735 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.930 4.322 10.793 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.369 3.697 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.348 4.928 9.173 1.00 0.00 H new ATOM 584 N LEU A 43 2.180 0.125 8.078 1.00 0.00 N ATOM 585 CA LEU A 43 1.860 -1.265 7.799 1.00 0.00 C ATOM 586 C LEU A 43 1.878 -2.060 9.106 1.00 0.00 C ATOM 587 O LEU A 43 2.880 -2.067 9.819 1.00 0.00 O ATOM 588 CB LEU A 43 2.795 -1.825 6.726 1.00 0.00 C ATOM 589 CG LEU A 43 2.598 -1.276 5.311 1.00 0.00 C ATOM 590 CD1 LEU A 43 3.942 -1.077 4.608 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.655 -2.169 4.503 1.00 0.00 C ATOM 0 H LEU A 43 2.882 0.264 8.805 1.00 0.00 H new ATOM 0 HA LEU A 43 0.854 -1.349 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.823 -1.629 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.672 -2.908 6.695 1.00 0.00 H new ATOM 0 HG LEU A 43 2.127 -0.296 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.773 -0.686 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.548 -0.371 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.463 -2.032 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.532 -1.756 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.075 -3.172 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.685 -2.215 4.998 1.00 0.00 H new ATOM 603 N LEU A 44 0.757 -2.711 9.381 1.00 0.00 N ATOM 604 CA LEU A 44 0.632 -3.508 10.590 1.00 0.00 C ATOM 605 C LEU A 44 1.615 -4.678 10.529 1.00 0.00 C ATOM 606 O LEU A 44 2.068 -5.058 9.450 1.00 0.00 O ATOM 607 CB LEU A 44 -0.822 -3.937 10.800 1.00 0.00 C ATOM 608 CG LEU A 44 -1.531 -3.332 12.013 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.655 -2.389 11.578 1.00 0.00 C ATOM 610 CD2 LEU A 44 -2.034 -4.426 12.956 1.00 0.00 C ATOM 0 H LEU A 44 -0.073 -2.703 8.788 1.00 0.00 H new ATOM 0 HA LEU A 44 0.896 -2.915 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.389 -3.678 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.850 -5.023 10.892 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.807 -2.735 12.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.142 -1.973 12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.239 -1.580 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.385 -2.942 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.534 -3.969 13.810 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.737 -5.069 12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.190 -5.021 13.306 1.00 0.00 H new ATOM 622 N PRO A 45 1.926 -5.231 11.732 1.00 0.00 N ATOM 623 CA PRO A 45 2.848 -6.350 11.825 1.00 0.00 C ATOM 624 C PRO A 45 2.184 -7.648 11.361 1.00 0.00 C ATOM 625 O PRO A 45 2.522 -8.179 10.304 1.00 0.00 O ATOM 626 CB PRO A 45 3.273 -6.389 13.284 1.00 0.00 C ATOM 627 CG PRO A 45 2.226 -5.591 14.045 1.00 0.00 C ATOM 628 CD PRO A 45 1.410 -4.807 13.030 1.00 0.00 C ATOM 0 HA PRO A 45 3.715 -6.236 11.174 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.323 -7.415 13.649 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.265 -5.956 13.414 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.582 -6.256 14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.703 -4.916 14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.346 -5.025 13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.529 -3.733 13.171 1.00 0.00 H new ATOM 636 N GLY A 46 1.251 -8.121 12.174 1.00 0.00 N ATOM 637 CA GLY A 46 0.537 -9.347 11.860 1.00 0.00 C ATOM 638 C GLY A 46 -0.554 -9.094 10.817 1.00 0.00 C ATOM 639 O GLY A 46 -1.727 -9.372 11.061 1.00 0.00 O ATOM 0 H GLY A 46 0.973 -7.678 13.049 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.237 -10.094 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.091 -9.755 12.767 1.00 0.00 H new ATOM 643 N SER A 47 -0.127 -8.570 9.678 1.00 0.00 N ATOM 644 CA SER A 47 -1.053 -8.277 8.596 1.00 0.00 C ATOM 645 C SER A 47 -0.543 -8.890 7.291 1.00 0.00 C ATOM 646 O SER A 47 0.631 -9.239 7.181 1.00 0.00 O ATOM 647 CB SER A 47 -1.249 -6.768 8.433 1.00 0.00 C ATOM 648 OG SER A 47 -0.305 -6.202 7.529 1.00 0.00 O ATOM 0 H SER A 47 0.847 -8.341 9.480 1.00 0.00 H new ATOM 0 HA SER A 47 -2.019 -8.717 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.259 -6.570 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.156 -6.283 9.405 1.00 0.00 H new ATOM 0 HG SER A 47 0.400 -5.746 8.035 1.00 0.00 H new ATOM 654 N PRO A 48 -1.476 -9.005 6.307 1.00 0.00 N ATOM 655 CA PRO A 48 -1.133 -9.569 5.013 1.00 0.00 C ATOM 656 C PRO A 48 -0.324 -8.575 4.178 1.00 0.00 C ATOM 657 O PRO A 48 0.631 -8.958 3.504 1.00 0.00 O ATOM 658 CB PRO A 48 -2.465 -9.934 4.378 1.00 0.00 C ATOM 659 CG PRO A 48 -3.518 -9.139 5.133 1.00 0.00 C ATOM 660 CD PRO A 48 -2.876 -8.601 6.401 1.00 0.00 C ATOM 0 HA PRO A 48 -0.491 -10.446 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.473 -9.684 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.654 -11.005 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.892 -8.321 4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.372 -9.771 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.972 -7.517 6.464 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.349 -9.016 7.291 1.00 0.00 H new ATOM 668 N ALA A 49 -0.736 -7.318 4.249 1.00 0.00 N ATOM 669 CA ALA A 49 -0.062 -6.266 3.508 1.00 0.00 C ATOM 670 C ALA A 49 1.398 -6.187 3.958 1.00 0.00 C ATOM 671 O ALA A 49 2.256 -5.715 3.213 1.00 0.00 O ATOM 672 CB ALA A 49 -0.806 -4.944 3.707 1.00 0.00 C ATOM 0 H ALA A 49 -1.529 -7.004 4.809 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.067 -6.485 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.300 -4.155 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.829 -5.044 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.819 -4.690 4.767 1.00 0.00 H new ATOM 678 N ALA A 50 1.636 -6.655 5.174 1.00 0.00 N ATOM 679 CA ALA A 50 2.977 -6.643 5.732 1.00 0.00 C ATOM 680 C ALA A 50 3.647 -7.993 5.469 1.00 0.00 C ATOM 681 O ALA A 50 4.860 -8.063 5.283 1.00 0.00 O ATOM 682 CB ALA A 50 2.907 -6.308 7.223 1.00 0.00 C ATOM 0 H ALA A 50 0.922 -7.045 5.789 1.00 0.00 H new ATOM 0 HA ALA A 50 3.584 -5.875 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.913 -6.299 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.451 -5.327 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.307 -7.059 7.737 1.00 0.00 H new ATOM 688 N ALA A 51 2.826 -9.033 5.461 1.00 0.00 N ATOM 689 CA ALA A 51 3.323 -10.378 5.224 1.00 0.00 C ATOM 690 C ALA A 51 3.944 -10.447 3.827 1.00 0.00 C ATOM 691 O ALA A 51 4.886 -11.206 3.600 1.00 0.00 O ATOM 692 CB ALA A 51 2.184 -11.383 5.406 1.00 0.00 C ATOM 0 H ALA A 51 1.820 -8.971 5.615 1.00 0.00 H new ATOM 0 HA ALA A 51 4.100 -10.633 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.557 -12.392 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.796 -11.313 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.386 -11.161 4.697 1.00 0.00 H new ATOM 698 N ASP A 52 3.392 -9.646 2.928 1.00 0.00 N ATOM 699 CA ASP A 52 3.881 -9.608 1.560 1.00 0.00 C ATOM 700 C ASP A 52 5.291 -9.014 1.543 1.00 0.00 C ATOM 701 O ASP A 52 6.237 -9.665 1.104 1.00 0.00 O ATOM 702 CB ASP A 52 2.988 -8.730 0.681 1.00 0.00 C ATOM 703 CG ASP A 52 2.322 -9.455 -0.491 1.00 0.00 C ATOM 704 OD1 ASP A 52 2.661 -10.641 -0.691 1.00 0.00 O ATOM 705 OD2 ASP A 52 1.488 -8.806 -1.159 1.00 0.00 O ATOM 0 H ASP A 52 2.611 -9.018 3.120 1.00 0.00 H new ATOM 0 HA ASP A 52 3.880 -10.627 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.211 -8.289 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.586 -7.908 0.288 1.00 0.00 H new ATOM 710 N GLY A 53 5.386 -7.784 2.026 1.00 0.00 N ATOM 711 CA GLY A 53 6.664 -7.095 2.072 1.00 0.00 C ATOM 712 C GLY A 53 6.722 -5.976 1.030 1.00 0.00 C ATOM 713 O GLY A 53 7.021 -4.830 1.360 1.00 0.00 O ATOM 0 H GLY A 53 4.599 -7.247 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.821 -6.679 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.471 -7.806 1.893 1.00 0.00 H new ATOM 717 N ARG A 54 6.431 -6.349 -0.208 1.00 0.00 N ATOM 718 CA ARG A 54 6.446 -5.392 -1.301 1.00 0.00 C ATOM 719 C ARG A 54 5.886 -4.046 -0.836 1.00 0.00 C ATOM 720 O ARG A 54 6.495 -3.003 -1.067 1.00 0.00 O ATOM 721 CB ARG A 54 5.622 -5.897 -2.487 1.00 0.00 C ATOM 722 CG ARG A 54 6.239 -5.449 -3.814 1.00 0.00 C ATOM 723 CD ARG A 54 6.380 -3.927 -3.866 1.00 0.00 C ATOM 724 NE ARG A 54 6.859 -3.509 -5.203 1.00 0.00 N ATOM 725 CZ ARG A 54 8.146 -3.518 -5.577 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.090 -3.923 -4.717 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.488 -3.121 -6.810 1.00 0.00 N ATOM 0 H ARG A 54 6.183 -7.301 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 54 7.481 -5.268 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.565 -6.985 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.601 -5.522 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.217 -5.913 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.617 -5.789 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.420 -3.457 -3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.078 -3.592 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 54 6.166 -3.194 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.829 -4.224 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.070 -3.930 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.769 -2.812 -7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.467 -3.128 -7.095 1.00 0.00 H new ATOM 741 N LEU A 55 4.732 -4.114 -0.188 1.00 0.00 N ATOM 742 CA LEU A 55 4.083 -2.914 0.312 1.00 0.00 C ATOM 743 C LEU A 55 5.025 -2.196 1.281 1.00 0.00 C ATOM 744 O LEU A 55 5.316 -2.706 2.362 1.00 0.00 O ATOM 745 CB LEU A 55 2.720 -3.254 0.917 1.00 0.00 C ATOM 746 CG LEU A 55 1.523 -3.160 -0.031 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.947 -3.422 -1.477 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.396 -4.095 0.415 1.00 0.00 C ATOM 0 H LEU A 55 4.230 -4.981 0.002 1.00 0.00 H new ATOM 0 HA LEU A 55 3.879 -2.223 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.764 -4.268 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.543 -2.587 1.761 1.00 0.00 H new ATOM 0 HG LEU A 55 1.133 -2.143 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.077 -3.349 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.690 -2.683 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.377 -4.421 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.443 -4.009 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.757 -5.123 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.070 -3.819 1.418 1.00 0.00 H new ATOM 760 N SER A 56 5.475 -1.023 0.860 1.00 0.00 N ATOM 761 CA SER A 56 6.377 -0.230 1.677 1.00 0.00 C ATOM 762 C SER A 56 5.893 1.220 1.734 1.00 0.00 C ATOM 763 O SER A 56 5.512 1.792 0.714 1.00 0.00 O ATOM 764 CB SER A 56 7.807 -0.292 1.137 1.00 0.00 C ATOM 765 OG SER A 56 7.848 -0.731 -0.218 1.00 0.00 O ATOM 0 H SER A 56 5.231 -0.603 -0.037 1.00 0.00 H new ATOM 0 HA SER A 56 6.380 -0.645 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.266 0.694 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.399 -0.967 1.755 1.00 0.00 H new ATOM 0 HG SER A 56 7.435 -1.617 -0.287 1.00 0.00 H new ATOM 771 N LEU A 57 5.924 1.774 2.938 1.00 0.00 N ATOM 772 CA LEU A 57 5.494 3.147 3.141 1.00 0.00 C ATOM 773 C LEU A 57 5.992 4.010 1.981 1.00 0.00 C ATOM 774 O LEU A 57 7.158 3.928 1.597 1.00 0.00 O ATOM 775 CB LEU A 57 5.937 3.649 4.517 1.00 0.00 C ATOM 776 CG LEU A 57 5.166 3.092 5.715 1.00 0.00 C ATOM 777 CD1 LEU A 57 4.762 1.636 5.478 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.965 3.261 7.008 1.00 0.00 C ATOM 0 H LEU A 57 6.240 1.297 3.782 1.00 0.00 H new ATOM 0 HA LEU A 57 4.406 3.210 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.992 3.410 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.853 4.736 4.530 1.00 0.00 H new ATOM 0 HG LEU A 57 4.247 3.667 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.215 1.264 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.127 1.574 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.656 1.031 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.394 2.857 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.912 2.727 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.160 4.320 7.180 1.00 0.00 H new ATOM 790 N GLY A 58 5.085 4.819 1.455 1.00 0.00 N ATOM 791 CA GLY A 58 5.418 5.697 0.346 1.00 0.00 C ATOM 792 C GLY A 58 4.776 5.207 -0.954 1.00 0.00 C ATOM 793 O GLY A 58 4.861 5.876 -1.983 1.00 0.00 O ATOM 0 H GLY A 58 4.119 4.885 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.078 6.709 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.500 5.743 0.226 1.00 0.00 H new ATOM 797 N ASP A 59 4.148 4.044 -0.864 1.00 0.00 N ATOM 798 CA ASP A 59 3.492 3.457 -2.020 1.00 0.00 C ATOM 799 C ASP A 59 2.193 4.214 -2.303 1.00 0.00 C ATOM 800 O ASP A 59 1.639 4.859 -1.414 1.00 0.00 O ATOM 801 CB ASP A 59 3.139 1.990 -1.766 1.00 0.00 C ATOM 802 CG ASP A 59 4.209 0.984 -2.195 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.074 1.385 -3.002 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.137 -0.164 -1.705 1.00 0.00 O ATOM 0 H ASP A 59 4.080 3.492 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 59 4.176 3.522 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.943 1.858 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.213 1.759 -2.292 1.00 0.00 H new ATOM 809 N ARG A 60 1.744 4.110 -3.545 1.00 0.00 N ATOM 810 CA ARG A 60 0.520 4.777 -3.957 1.00 0.00 C ATOM 811 C ARG A 60 -0.443 3.774 -4.594 1.00 0.00 C ATOM 812 O ARG A 60 -0.115 3.147 -5.601 1.00 0.00 O ATOM 813 CB ARG A 60 0.813 5.898 -4.956 1.00 0.00 C ATOM 814 CG ARG A 60 -0.449 6.711 -5.254 1.00 0.00 C ATOM 815 CD ARG A 60 -0.405 7.292 -6.668 1.00 0.00 C ATOM 816 NE ARG A 60 -1.396 8.384 -6.797 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.516 9.166 -7.879 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.706 8.983 -8.931 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.444 10.132 -7.908 1.00 0.00 N ATOM 0 H ARG A 60 2.206 3.574 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 60 0.063 5.209 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.586 6.554 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.203 5.473 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.329 6.077 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.546 7.518 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.595 7.669 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.616 6.510 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.027 8.552 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.002 8.249 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.797 9.578 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.059 10.272 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.535 10.727 -8.731 1.00 0.00 H new ATOM 833 N ILE A 61 -1.612 3.653 -3.983 1.00 0.00 N ATOM 834 CA ILE A 61 -2.624 2.736 -4.478 1.00 0.00 C ATOM 835 C ILE A 61 -3.323 3.360 -5.688 1.00 0.00 C ATOM 836 O ILE A 61 -3.485 4.577 -5.757 1.00 0.00 O ATOM 837 CB ILE A 61 -3.582 2.337 -3.354 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.814 1.989 -2.077 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.504 1.199 -3.797 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.001 0.705 -2.259 1.00 0.00 C ATOM 0 H ILE A 61 -1.881 4.175 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.163 1.808 -4.818 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.216 3.194 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.148 2.811 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.513 1.867 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.175 0.935 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.090 1.520 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.905 0.330 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.465 0.480 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.672 -0.120 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.286 0.839 -3.071 1.00 0.00 H new ATOM 852 N LEU A 62 -3.717 2.497 -6.613 1.00 0.00 N ATOM 853 CA LEU A 62 -4.394 2.948 -7.817 1.00 0.00 C ATOM 854 C LEU A 62 -5.798 2.341 -7.866 1.00 0.00 C ATOM 855 O LEU A 62 -6.776 3.047 -8.105 1.00 0.00 O ATOM 856 CB LEU A 62 -3.548 2.642 -9.054 1.00 0.00 C ATOM 857 CG LEU A 62 -2.089 3.099 -8.999 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.368 2.792 -10.313 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.992 4.579 -8.624 1.00 0.00 C ATOM 0 H LEU A 62 -3.580 1.488 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.515 4.031 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.565 1.565 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.022 3.108 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.584 2.534 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.333 3.127 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.391 1.718 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.866 3.312 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.944 4.878 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.518 5.178 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.445 4.737 -7.645 1.00 0.00 H new ATOM 871 N GLU A 63 -5.852 1.037 -7.635 1.00 0.00 N ATOM 872 CA GLU A 63 -7.119 0.327 -7.650 1.00 0.00 C ATOM 873 C GLU A 63 -7.277 -0.504 -6.375 1.00 0.00 C ATOM 874 O GLU A 63 -6.302 -0.749 -5.665 1.00 0.00 O ATOM 875 CB GLU A 63 -7.241 -0.552 -8.896 1.00 0.00 C ATOM 876 CG GLU A 63 -7.415 0.301 -10.154 1.00 0.00 C ATOM 877 CD GLU A 63 -7.217 -0.539 -11.418 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.475 -1.759 -11.334 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.812 0.058 -12.438 1.00 0.00 O ATOM 0 H GLU A 63 -5.039 0.454 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.924 1.061 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.352 -1.175 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.091 -1.225 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.410 0.746 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.698 1.122 -10.143 1.00 0.00 H new ATOM 886 N VAL A 64 -8.511 -0.916 -6.123 1.00 0.00 N ATOM 887 CA VAL A 64 -8.808 -1.715 -4.947 1.00 0.00 C ATOM 888 C VAL A 64 -9.904 -2.727 -5.286 1.00 0.00 C ATOM 889 O VAL A 64 -11.071 -2.363 -5.420 1.00 0.00 O ATOM 890 CB VAL A 64 -9.179 -0.803 -3.775 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.210 -1.472 -2.865 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.935 -0.392 -2.985 1.00 0.00 C ATOM 0 H VAL A 64 -9.317 -0.711 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.929 -2.280 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.630 0.101 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.456 -0.803 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.112 -1.691 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.798 -2.400 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.227 0.256 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.443 -1.282 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.248 0.144 -3.640 1.00 0.00 H new ATOM 902 N ASN A 65 -9.489 -3.979 -5.415 1.00 0.00 N ATOM 903 CA ASN A 65 -10.421 -5.047 -5.736 1.00 0.00 C ATOM 904 C ASN A 65 -11.036 -4.784 -7.113 1.00 0.00 C ATOM 905 O ASN A 65 -12.138 -5.247 -7.402 1.00 0.00 O ATOM 906 CB ASN A 65 -11.558 -5.111 -4.715 1.00 0.00 C ATOM 907 CG ASN A 65 -11.243 -6.117 -3.606 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.462 -7.040 -3.774 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.891 -5.889 -2.468 1.00 0.00 N ATOM 0 H ASN A 65 -8.520 -4.278 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.872 -5.989 -5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.718 -4.124 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.485 -5.393 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.748 -6.505 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.531 -5.098 -2.395 1.00 0.00 H new ATOM 916 N GLY A 66 -10.296 -4.042 -7.924 1.00 0.00 N ATOM 917 CA GLY A 66 -10.755 -3.713 -9.263 1.00 0.00 C ATOM 918 C GLY A 66 -11.722 -2.527 -9.235 1.00 0.00 C ATOM 919 O GLY A 66 -12.616 -2.431 -10.074 1.00 0.00 O ATOM 0 H GLY A 66 -9.382 -3.660 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.900 -3.475 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.248 -4.579 -9.705 1.00 0.00 H new ATOM 923 N SER A 67 -11.509 -1.654 -8.261 1.00 0.00 N ATOM 924 CA SER A 67 -12.350 -0.479 -8.112 1.00 0.00 C ATOM 925 C SER A 67 -11.504 0.790 -8.234 1.00 0.00 C ATOM 926 O SER A 67 -10.790 1.156 -7.301 1.00 0.00 O ATOM 927 CB SER A 67 -13.090 -0.497 -6.773 1.00 0.00 C ATOM 928 OG SER A 67 -14.385 0.090 -6.871 1.00 0.00 O ATOM 0 H SER A 67 -10.766 -1.737 -7.567 1.00 0.00 H new ATOM 0 HA SER A 67 -13.095 -0.489 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.184 -1.525 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.504 0.040 -6.028 1.00 0.00 H new ATOM 0 HG SER A 67 -14.826 0.058 -5.996 1.00 0.00 H new ATOM 934 N SER A 68 -11.610 1.425 -9.391 1.00 0.00 N ATOM 935 CA SER A 68 -10.863 2.645 -9.647 1.00 0.00 C ATOM 936 C SER A 68 -10.993 3.598 -8.456 1.00 0.00 C ATOM 937 O SER A 68 -12.099 3.998 -8.095 1.00 0.00 O ATOM 938 CB SER A 68 -11.346 3.328 -10.928 1.00 0.00 C ATOM 939 OG SER A 68 -12.638 3.908 -10.770 1.00 0.00 O ATOM 0 H SER A 68 -12.202 1.118 -10.163 1.00 0.00 H new ATOM 0 HA SER A 68 -9.814 2.382 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.634 4.102 -11.217 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.372 2.600 -11.739 1.00 0.00 H new ATOM 0 HG SER A 68 -12.775 4.150 -9.830 1.00 0.00 H new ATOM 945 N LEU A 69 -9.849 3.932 -7.879 1.00 0.00 N ATOM 946 CA LEU A 69 -9.821 4.830 -6.737 1.00 0.00 C ATOM 947 C LEU A 69 -9.318 6.203 -7.185 1.00 0.00 C ATOM 948 O LEU A 69 -8.487 6.814 -6.515 1.00 0.00 O ATOM 949 CB LEU A 69 -9.005 4.219 -5.595 1.00 0.00 C ATOM 950 CG LEU A 69 -9.625 4.320 -4.200 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.795 5.781 -3.780 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.942 3.545 -4.127 1.00 0.00 C ATOM 0 H LEU A 69 -8.934 3.597 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.826 4.972 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.834 3.166 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.029 4.703 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.941 3.858 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.238 5.824 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.822 6.271 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.447 6.290 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.361 3.634 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.646 3.954 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.759 2.494 -4.352 1.00 0.00 H new ATOM 964 N LEU A 70 -9.843 6.650 -8.317 1.00 0.00 N ATOM 965 CA LEU A 70 -9.457 7.940 -8.863 1.00 0.00 C ATOM 966 C LEU A 70 -10.589 8.944 -8.634 1.00 0.00 C ATOM 967 O LEU A 70 -11.410 9.173 -9.521 1.00 0.00 O ATOM 968 CB LEU A 70 -9.047 7.800 -10.330 1.00 0.00 C ATOM 969 CG LEU A 70 -7.702 7.118 -10.589 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.658 6.506 -11.991 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.542 8.086 -10.349 1.00 0.00 C ATOM 0 H LEU A 70 -10.532 6.142 -8.871 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.578 8.325 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.823 7.239 -10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.019 8.795 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.591 6.300 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.691 6.028 -12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.450 5.764 -12.089 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.801 7.290 -12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.598 7.577 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.636 8.940 -11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.565 8.432 -9.316 1.00 0.00 H new ATOM 983 N GLY A 71 -10.595 9.517 -7.439 1.00 0.00 N ATOM 984 CA GLY A 71 -11.612 10.492 -7.082 1.00 0.00 C ATOM 985 C GLY A 71 -12.421 10.022 -5.871 1.00 0.00 C ATOM 986 O GLY A 71 -13.113 10.816 -5.236 1.00 0.00 O ATOM 0 H GLY A 71 -9.912 9.325 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.141 11.449 -6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.279 10.654 -7.929 1.00 0.00 H new ATOM 990 N LEU A 72 -12.306 8.733 -5.587 1.00 0.00 N ATOM 991 CA LEU A 72 -13.017 8.148 -4.463 1.00 0.00 C ATOM 992 C LEU A 72 -12.441 8.699 -3.157 1.00 0.00 C ATOM 993 O LEU A 72 -11.241 8.594 -2.911 1.00 0.00 O ATOM 994 CB LEU A 72 -12.993 6.620 -4.550 1.00 0.00 C ATOM 995 CG LEU A 72 -14.238 5.962 -5.148 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.181 4.441 -4.996 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.514 6.551 -4.543 1.00 0.00 C ATOM 0 H LEU A 72 -11.731 8.077 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.070 8.429 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.129 6.323 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.842 6.221 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.259 6.178 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.078 3.998 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.301 4.057 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.123 4.183 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.384 6.066 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.515 6.386 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.553 7.621 -4.747 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.324 9.274 -2.355 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.918 9.842 -1.080 1.00 0.00 C ATOM 1011 C GLY A 73 -12.155 8.815 -0.241 1.00 0.00 C ATOM 1012 O GLY A 73 -12.251 7.614 -0.485 1.00 0.00 O ATOM 0 H GLY A 73 -14.319 9.359 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.290 10.716 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.797 10.183 -0.533 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.415 9.327 0.732 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.635 8.469 1.609 1.00 0.00 C ATOM 1018 C TYR A 74 -11.522 7.415 2.274 1.00 0.00 C ATOM 1019 O TYR A 74 -11.182 6.233 2.289 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.056 9.386 2.688 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.257 8.650 3.766 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -9.916 7.949 4.756 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -7.878 8.686 3.748 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.165 7.256 5.770 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.126 7.994 4.763 1.00 0.00 C ATOM 1026 CZ TYR A 74 -7.807 7.313 5.723 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.097 6.659 6.681 1.00 0.00 O ATOM 0 H TYR A 74 -11.339 10.324 0.932 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.862 7.945 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.411 10.126 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.872 9.931 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.996 7.920 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.362 9.233 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.668 6.704 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.046 8.015 4.762 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.188 6.489 6.356 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.642 7.881 2.808 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.580 6.993 3.473 1.00 0.00 C ATOM 1039 C LEU A 75 -14.114 5.974 2.464 1.00 0.00 C ATOM 1040 O LEU A 75 -14.064 4.769 2.707 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.676 7.798 4.173 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.296 8.421 5.518 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.308 9.490 5.933 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.128 7.344 6.592 1.00 0.00 C ATOM 0 H LEU A 75 -12.921 8.862 2.793 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.079 6.430 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.997 8.596 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.536 7.146 4.327 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.332 8.917 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.014 9.916 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.336 10.277 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.296 9.040 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.858 7.813 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.065 6.800 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.341 6.651 6.293 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.614 6.495 1.353 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.157 5.646 0.307 1.00 0.00 C ATOM 1058 C ARG A 76 -14.162 4.539 -0.048 1.00 0.00 C ATOM 1059 O ARG A 76 -14.558 3.406 -0.317 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.476 6.458 -0.950 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.986 6.642 -1.115 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.673 5.307 -1.410 1.00 0.00 C ATOM 1063 NE ARG A 76 -19.112 5.526 -1.678 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.950 4.572 -2.105 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.499 3.328 -2.314 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.240 4.862 -2.322 1.00 0.00 N ATOM 0 H ARG A 76 -14.654 7.495 1.155 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.079 5.203 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.992 7.433 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.070 5.953 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.404 7.077 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.184 7.344 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.203 4.829 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.551 4.631 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.489 6.462 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.517 3.107 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.137 2.602 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.584 5.809 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.878 4.136 -2.647 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.889 4.906 -0.039 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.834 3.958 -0.356 1.00 0.00 C ATOM 1082 C ALA A 77 -11.669 2.977 0.806 1.00 0.00 C ATOM 1083 O ALA A 77 -11.638 1.765 0.600 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.542 4.717 -0.667 1.00 0.00 C ATOM 0 H ALA A 77 -12.564 5.847 0.183 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.093 3.378 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.751 4.006 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.704 5.378 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.250 5.309 0.201 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.568 3.538 2.002 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.407 2.728 3.197 1.00 0.00 C ATOM 1092 C VAL A 78 -12.491 1.648 3.226 1.00 0.00 C ATOM 1093 O VAL A 78 -12.199 0.477 3.464 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.419 3.620 4.440 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.156 2.801 5.705 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.408 4.760 4.306 1.00 0.00 C ATOM 0 H VAL A 78 -11.595 4.544 2.169 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.442 2.221 3.187 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.412 4.061 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.170 3.459 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.929 2.040 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.181 2.319 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.437 5.379 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.407 4.346 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.659 5.368 3.437 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.719 2.081 2.980 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.847 1.166 2.975 1.00 0.00 C ATOM 1108 C ASP A 79 -14.604 0.068 1.937 1.00 0.00 C ATOM 1109 O ASP A 79 -14.737 -1.117 2.239 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.142 1.890 2.601 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.411 1.313 3.231 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.647 1.623 4.419 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.117 0.575 2.510 1.00 0.00 O ATOM 0 H ASP A 79 -13.957 3.053 2.783 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.944 0.746 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.053 2.936 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.251 1.870 1.517 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.251 0.501 0.736 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.987 -0.430 -0.348 1.00 0.00 C ATOM 1120 C LEU A 80 -13.094 -1.562 0.164 1.00 0.00 C ATOM 1121 O LEU A 80 -13.405 -2.737 -0.026 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.412 0.306 -1.559 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.425 1.038 -2.442 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.733 1.711 -3.629 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.544 0.096 -2.889 1.00 0.00 C ATOM 0 H LEU A 80 -14.142 1.485 0.489 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.915 -0.886 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.679 1.030 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.876 -0.415 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.887 1.828 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.476 2.224 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.003 2.433 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.227 0.956 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.250 0.641 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.118 -0.731 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.062 -0.295 -2.013 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.002 -1.169 0.804 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.062 -2.136 1.345 1.00 0.00 C ATOM 1139 C ILE A 81 -11.719 -2.885 2.506 1.00 0.00 C ATOM 1140 O ILE A 81 -11.572 -4.100 2.627 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.747 -1.451 1.721 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.931 -1.107 0.473 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.948 -2.303 2.709 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.989 0.393 0.177 1.00 0.00 C ATOM 0 H ILE A 81 -11.747 -0.194 0.960 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.804 -2.880 0.591 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.983 -0.512 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.895 -1.413 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.314 -1.665 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.018 -1.793 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.534 -2.455 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.722 -3.269 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.401 0.611 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.024 0.691 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.583 0.947 1.024 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.430 -2.129 3.330 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.110 -2.707 4.477 1.00 0.00 C ATOM 1158 C ARG A 82 -13.975 -3.891 4.040 1.00 0.00 C ATOM 1159 O ARG A 82 -13.831 -4.995 4.562 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.992 -1.669 5.174 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.141 -0.637 5.917 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.453 -0.646 7.415 1.00 0.00 C ATOM 1163 NE ARG A 82 -12.706 -1.737 8.080 1.00 0.00 N ATOM 1164 CZ ARG A 82 -12.920 -2.133 9.342 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -13.859 -1.529 10.084 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -12.195 -3.132 9.863 1.00 0.00 N ATOM 0 H ARG A 82 -12.550 -1.121 3.226 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.348 -3.049 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.619 -1.166 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.661 -2.167 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.084 -0.852 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.328 0.356 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.183 0.313 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.524 -0.779 7.571 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.983 -2.217 7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.411 -0.768 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.022 -1.831 11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.480 -3.591 9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.358 -3.433 10.824 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.854 -3.620 3.087 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.742 -4.650 2.574 1.00 0.00 C ATOM 1182 C HIS A 83 -15.106 -5.315 1.353 1.00 0.00 C ATOM 1183 O HIS A 83 -15.803 -5.684 0.409 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.129 -4.074 2.280 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.711 -3.264 3.415 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.708 -1.880 3.426 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.314 -3.658 4.573 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.285 -1.470 4.547 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.659 -2.573 5.256 1.00 0.00 N ATOM 0 H HIS A 83 -14.971 -2.703 2.657 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.885 -5.421 3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.069 -3.445 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.809 -4.893 2.046 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.327 -1.278 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.482 -4.679 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.433 -0.443 4.846 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.789 -5.448 1.410 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.050 -6.062 0.320 1.00 0.00 C ATOM 1199 C GLY A 84 -13.834 -7.229 -0.284 1.00 0.00 C ATOM 1200 O GLY A 84 -14.639 -7.036 -1.193 1.00 0.00 O ATOM 0 H GLY A 84 -13.214 -5.141 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.846 -5.318 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.086 -6.416 0.684 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.570 -8.415 0.246 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.240 -9.613 -0.229 1.00 0.00 C ATOM 1206 C GLY A 85 -13.309 -10.826 -0.160 1.00 0.00 C ATOM 1207 O GLY A 85 -13.104 -11.512 -1.160 1.00 0.00 O ATOM 0 H GLY A 85 -12.901 -8.571 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.130 -9.799 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.574 -9.464 -1.256 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.771 -11.052 1.029 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.868 -12.170 1.241 1.00 0.00 C ATOM 1213 C LYS A 86 -10.536 -11.883 0.544 1.00 0.00 C ATOM 1214 O LYS A 86 -9.502 -11.765 1.199 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.523 -13.480 0.800 1.00 0.00 C ATOM 1216 CG LYS A 86 -12.122 -14.632 1.724 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.571 -15.977 1.150 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.756 -17.013 2.260 1.00 0.00 C ATOM 1219 NZ LYS A 86 -11.880 -18.183 2.028 1.00 0.00 N ATOM 0 H LYS A 86 -12.943 -10.480 1.856 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.654 -12.290 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.607 -13.368 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.229 -13.711 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.041 -14.634 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.567 -14.486 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.507 -15.850 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.832 -16.335 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.525 -16.564 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.797 -17.333 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.018 -18.877 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.119 -18.620 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.887 -17.876 2.015 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.606 -11.779 -0.775 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.419 -11.508 -1.568 1.00 0.00 C ATOM 1235 C LYS A 87 -9.352 -10.012 -1.884 1.00 0.00 C ATOM 1236 O LYS A 87 -10.176 -9.497 -2.638 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.388 -12.401 -2.809 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.408 -13.561 -2.626 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.512 -14.555 -3.785 1.00 0.00 C ATOM 1240 CE LYS A 87 -7.286 -15.468 -3.836 1.00 0.00 C ATOM 1241 NZ LYS A 87 -7.413 -16.563 -2.847 1.00 0.00 N ATOM 0 H LYS A 87 -11.466 -11.878 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.520 -11.755 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.387 -12.792 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.100 -11.811 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.390 -13.176 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.614 -14.071 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.414 -15.157 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.606 -14.013 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.177 -15.885 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.385 -14.889 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.572 -17.173 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.494 -16.160 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.262 -17.126 -3.059 1.00 0.00 H new ATOM 1255 N MET A 88 -8.364 -9.358 -1.293 1.00 0.00 N ATOM 1256 CA MET A 88 -8.179 -7.932 -1.502 1.00 0.00 C ATOM 1257 C MET A 88 -7.051 -7.666 -2.501 1.00 0.00 C ATOM 1258 O MET A 88 -5.906 -8.049 -2.266 1.00 0.00 O ATOM 1259 CB MET A 88 -7.849 -7.259 -0.169 1.00 0.00 C ATOM 1260 CG MET A 88 -9.048 -7.306 0.781 1.00 0.00 C ATOM 1261 SD MET A 88 -9.514 -5.650 1.259 1.00 0.00 S ATOM 1262 CE MET A 88 -9.796 -4.930 -0.350 1.00 0.00 C ATOM 0 H MET A 88 -7.682 -9.789 -0.669 1.00 0.00 H new ATOM 0 HA MET A 88 -9.103 -7.521 -1.908 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.996 -7.756 0.292 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.559 -6.223 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.888 -7.803 0.295 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.799 -7.892 1.666 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.147 -4.064 -0.480 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.576 -5.667 -1.122 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.837 -4.619 -0.432 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.414 -7.012 -3.595 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.447 -6.691 -4.630 1.00 0.00 C ATOM 1274 C ARG A 89 -6.204 -5.181 -4.679 1.00 0.00 C ATOM 1275 O ARG A 89 -7.150 -4.395 -4.656 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.930 -7.167 -6.002 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.548 -8.629 -6.240 1.00 0.00 C ATOM 1278 CD ARG A 89 -7.172 -9.155 -7.534 1.00 0.00 C ATOM 1279 NE ARG A 89 -7.719 -10.513 -7.318 1.00 0.00 N ATOM 1280 CZ ARG A 89 -8.685 -10.802 -6.436 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -9.218 -9.830 -5.683 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -9.119 -12.063 -6.307 1.00 0.00 N ATOM 0 H ARG A 89 -8.365 -6.696 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.517 -7.205 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.012 -7.054 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.495 -6.542 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.463 -8.721 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.880 -9.237 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.964 -8.483 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.423 -9.178 -8.325 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.337 -11.277 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.888 -8.870 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.954 -10.050 -5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.714 -12.803 -6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.855 -12.283 -5.635 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.930 -4.821 -4.746 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.551 -3.419 -4.798 1.00 0.00 C ATOM 1298 C PHE A 90 -3.540 -3.166 -5.919 1.00 0.00 C ATOM 1299 O PHE A 90 -2.575 -3.914 -6.069 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.900 -3.082 -3.455 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.747 -3.465 -2.239 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.973 -2.905 -2.062 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.272 -4.365 -1.337 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.759 -3.261 -0.933 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.058 -4.721 -0.209 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.285 -4.161 -0.031 1.00 0.00 C ATOM 0 H PHE A 90 -4.148 -5.476 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.429 -2.803 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.939 -3.592 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.696 -2.012 -3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.349 -2.190 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.298 -4.809 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.733 -2.817 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.682 -5.436 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.883 -4.431 0.827 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.797 -2.110 -6.676 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.922 -1.749 -7.778 1.00 0.00 C ATOM 1318 C LEU A 91 -2.071 -0.544 -7.375 1.00 0.00 C ATOM 1319 O LEU A 91 -2.464 0.601 -7.595 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.734 -1.528 -9.056 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.934 -1.481 -10.360 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.941 -2.643 -10.435 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.865 -1.443 -11.573 1.00 0.00 C ATOM 0 H LEU A 91 -4.599 -1.493 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.234 -2.565 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.473 -2.325 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.284 -0.592 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.353 -0.559 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.385 -2.587 -11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.247 -2.583 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.483 -3.588 -10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.271 -1.410 -12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.491 -2.335 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.497 -0.557 -11.519 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.919 -0.842 -6.790 1.00 0.00 N ATOM 1336 CA VAL A 92 -0.009 0.203 -6.354 1.00 0.00 C ATOM 1337 C VAL A 92 1.152 0.308 -7.344 1.00 0.00 C ATOM 1338 O VAL A 92 1.455 -0.649 -8.055 1.00 0.00 O ATOM 1339 CB VAL A 92 0.451 -0.070 -4.920 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.495 -1.572 -4.634 1.00 0.00 C ATOM 1341 CG2 VAL A 92 1.809 0.581 -4.647 1.00 0.00 C ATOM 0 H VAL A 92 -0.596 -1.792 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.514 1.169 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.277 0.378 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.825 -1.738 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.500 -1.997 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.191 -2.053 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.113 0.372 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.551 0.177 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.731 1.659 -4.790 1.00 0.00 H new ATOM 1351 N ALA A 93 1.771 1.479 -7.360 1.00 0.00 N ATOM 1352 CA ALA A 93 2.892 1.722 -8.251 1.00 0.00 C ATOM 1353 C ALA A 93 4.181 1.809 -7.431 1.00 0.00 C ATOM 1354 O ALA A 93 4.141 2.089 -6.234 1.00 0.00 O ATOM 1355 CB ALA A 93 2.632 2.991 -9.065 1.00 0.00 C ATOM 0 H ALA A 93 1.517 2.271 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 93 3.006 0.899 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.473 3.173 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.722 2.867 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.515 3.839 -8.390 1.00 0.00 H new ATOM 1361 N LYS A 94 5.293 1.564 -8.108 1.00 0.00 N ATOM 1362 CA LYS A 94 6.591 1.612 -7.457 1.00 0.00 C ATOM 1363 C LYS A 94 7.078 3.061 -7.403 1.00 0.00 C ATOM 1364 O LYS A 94 7.655 3.562 -8.366 1.00 0.00 O ATOM 1365 CB LYS A 94 7.571 0.660 -8.145 1.00 0.00 C ATOM 1366 CG LYS A 94 8.198 -0.305 -7.137 1.00 0.00 C ATOM 1367 CD LYS A 94 8.943 0.456 -6.039 1.00 0.00 C ATOM 1368 CE LYS A 94 8.408 0.086 -4.654 1.00 0.00 C ATOM 1369 NZ LYS A 94 9.525 -0.148 -3.712 1.00 0.00 N ATOM 0 H LYS A 94 5.322 1.332 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 94 6.513 1.263 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.052 0.096 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.354 1.234 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.421 -0.926 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.887 -0.976 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.008 0.230 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.836 1.529 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.770 0.886 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.790 -0.809 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.144 -0.398 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.118 -0.926 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.099 0.716 -3.632 1.00 0.00 H new ATOM 1383 N SER A 95 6.826 3.694 -6.266 1.00 0.00 N ATOM 1384 CA SER A 95 7.231 5.077 -6.074 1.00 0.00 C ATOM 1385 C SER A 95 8.736 5.149 -5.812 1.00 0.00 C ATOM 1386 O SER A 95 9.413 4.123 -5.769 1.00 0.00 O ATOM 1387 CB SER A 95 6.459 5.721 -4.921 1.00 0.00 C ATOM 1388 OG SER A 95 5.425 6.584 -5.386 1.00 0.00 O ATOM 0 H SER A 95 6.347 3.275 -5.469 1.00 0.00 H new ATOM 0 HA SER A 95 7.001 5.631 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.026 4.941 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.149 6.287 -4.294 1.00 0.00 H new ATOM 0 HG SER A 95 4.767 6.720 -4.673 1.00 0.00 H new ATOM 1394 N ASP A 96 9.217 6.373 -5.645 1.00 0.00 N ATOM 1395 CA ASP A 96 10.630 6.593 -5.388 1.00 0.00 C ATOM 1396 C ASP A 96 10.836 6.872 -3.898 1.00 0.00 C ATOM 1397 O ASP A 96 9.894 7.233 -3.194 1.00 0.00 O ATOM 1398 CB ASP A 96 11.151 7.799 -6.172 1.00 0.00 C ATOM 1399 CG ASP A 96 10.757 7.829 -7.650 1.00 0.00 C ATOM 1400 OD1 ASP A 96 9.551 8.023 -7.912 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.672 7.657 -8.484 1.00 0.00 O ATOM 0 H ASP A 96 8.653 7.222 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 96 11.172 5.700 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.785 8.709 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.239 7.817 -6.101 1.00 0.00 H new ATOM 1406 N VAL A 97 12.074 6.695 -3.461 1.00 0.00 N ATOM 1407 CA VAL A 97 12.416 6.923 -2.067 1.00 0.00 C ATOM 1408 C VAL A 97 11.931 8.313 -1.649 1.00 0.00 C ATOM 1409 O VAL A 97 11.150 8.445 -0.709 1.00 0.00 O ATOM 1410 CB VAL A 97 13.918 6.726 -1.857 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.725 7.683 -2.737 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.292 6.889 -0.383 1.00 0.00 C ATOM 0 H VAL A 97 12.853 6.396 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 97 11.915 6.197 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 97 14.167 5.707 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.790 7.522 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.492 7.497 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.469 8.712 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.365 6.744 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.021 7.890 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.756 6.149 0.212 1.00 0.00 H new ATOM 1422 N GLU A 98 12.416 9.315 -2.369 1.00 0.00 N ATOM 1423 CA GLU A 98 12.042 10.690 -2.084 1.00 0.00 C ATOM 1424 C GLU A 98 10.541 10.784 -1.803 1.00 0.00 C ATOM 1425 O GLU A 98 10.133 11.245 -0.738 1.00 0.00 O ATOM 1426 CB GLU A 98 12.445 11.616 -3.233 1.00 0.00 C ATOM 1427 CG GLU A 98 13.965 11.658 -3.397 1.00 0.00 C ATOM 1428 CD GLU A 98 14.353 11.858 -4.864 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.845 12.834 -5.457 1.00 0.00 O ATOM 1430 OE2 GLU A 98 15.149 11.031 -5.358 1.00 0.00 O ATOM 0 H GLU A 98 13.064 9.202 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 98 12.579 11.016 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.985 11.273 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.068 12.621 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.377 12.467 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.400 10.730 -3.025 1.00 0.00 H new ATOM 1437 N THR A 99 9.760 10.342 -2.778 1.00 0.00 N ATOM 1438 CA THR A 99 8.313 10.371 -2.648 1.00 0.00 C ATOM 1439 C THR A 99 7.890 9.859 -1.270 1.00 0.00 C ATOM 1440 O THR A 99 6.917 10.345 -0.696 1.00 0.00 O ATOM 1441 CB THR A 99 7.719 9.564 -3.805 1.00 0.00 C ATOM 1442 OG1 THR A 99 7.659 10.494 -4.882 1.00 0.00 O ATOM 1443 CG2 THR A 99 6.258 9.181 -3.561 1.00 0.00 C ATOM 0 H THR A 99 10.102 9.962 -3.661 1.00 0.00 H new ATOM 0 HA THR A 99 7.930 11.390 -2.712 1.00 0.00 H new ATOM 0 HB THR A 99 8.310 8.661 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.287 10.053 -5.674 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.885 8.610 -4.411 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.187 8.575 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.660 10.084 -3.440 1.00 0.00 H new ATOM 1451 N ALA A 100 8.643 8.886 -0.779 1.00 0.00 N ATOM 1452 CA ALA A 100 8.358 8.303 0.521 1.00 0.00 C ATOM 1453 C ALA A 100 8.758 9.293 1.617 1.00 0.00 C ATOM 1454 O ALA A 100 8.034 9.466 2.597 1.00 0.00 O ATOM 1455 CB ALA A 100 9.087 6.964 0.651 1.00 0.00 C ATOM 0 H ALA A 100 9.450 8.487 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 100 7.291 8.105 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.873 6.527 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.747 6.287 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.161 7.123 0.552 1.00 0.00 H new ATOM 1461 N LYS A 101 9.909 9.918 1.416 1.00 0.00 N ATOM 1462 CA LYS A 101 10.413 10.886 2.375 1.00 0.00 C ATOM 1463 C LYS A 101 9.279 11.826 2.788 1.00 0.00 C ATOM 1464 O LYS A 101 9.028 12.016 3.977 1.00 0.00 O ATOM 1465 CB LYS A 101 11.637 11.610 1.811 1.00 0.00 C ATOM 1466 CG LYS A 101 12.754 10.620 1.475 1.00 0.00 C ATOM 1467 CD LYS A 101 14.079 11.347 1.240 1.00 0.00 C ATOM 1468 CE LYS A 101 15.267 10.419 1.501 1.00 0.00 C ATOM 1469 NZ LYS A 101 16.306 10.602 0.463 1.00 0.00 N ATOM 0 H LYS A 101 10.507 9.773 0.603 1.00 0.00 H new ATOM 0 HA LYS A 101 10.756 10.384 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.356 12.164 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.999 12.339 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.867 9.904 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.485 10.051 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.119 11.715 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.142 12.217 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.688 10.625 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.931 9.382 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.105 9.965 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.906 10.383 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.639 11.587 0.475 1.00 0.00 H new ATOM 1483 N LYS A 102 8.623 12.388 1.784 1.00 0.00 N ATOM 1484 CA LYS A 102 7.521 13.303 2.028 1.00 0.00 C ATOM 1485 C LYS A 102 6.468 12.607 2.893 1.00 0.00 C ATOM 1486 O LYS A 102 5.901 13.217 3.798 1.00 0.00 O ATOM 1487 CB LYS A 102 6.972 13.846 0.707 1.00 0.00 C ATOM 1488 CG LYS A 102 8.036 14.653 -0.039 1.00 0.00 C ATOM 1489 CD LYS A 102 7.996 14.358 -1.540 1.00 0.00 C ATOM 1490 CE LYS A 102 9.307 14.765 -2.214 1.00 0.00 C ATOM 1491 NZ LYS A 102 9.048 15.698 -3.333 1.00 0.00 N ATOM 0 H LYS A 102 8.834 12.227 0.799 1.00 0.00 H new ATOM 0 HA LYS A 102 7.866 14.175 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.634 13.019 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.103 14.475 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.875 15.718 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.023 14.413 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.815 13.295 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.166 14.895 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.966 15.236 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.823 13.879 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.949 15.964 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.437 15.236 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.576 16.551 -2.971 1.00 0.00 H new ATOM 1505 N ILE A 103 6.238 11.340 2.583 1.00 0.00 N ATOM 1506 CA ILE A 103 5.263 10.555 3.320 1.00 0.00 C ATOM 1507 C ILE A 103 5.721 10.413 4.773 1.00 0.00 C ATOM 1508 O ILE A 103 4.926 10.077 5.649 1.00 0.00 O ATOM 1509 CB ILE A 103 5.013 9.217 2.621 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.452 9.430 1.214 1.00 0.00 C ATOM 1511 CG2 ILE A 103 4.112 8.315 3.467 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.925 9.330 1.211 1.00 0.00 C ATOM 0 H ILE A 103 6.710 10.837 1.831 1.00 0.00 H new ATOM 0 HA ILE A 103 4.300 11.064 3.337 1.00 0.00 H new ATOM 0 HB ILE A 103 5.969 8.705 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.757 10.408 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.870 8.686 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.951 7.371 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.589 8.123 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.154 8.808 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.552 9.485 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.624 8.342 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.509 10.091 1.871 1.00 0.00 H new ATOM 1524 N HIS A 104 7.002 10.677 4.984 1.00 0.00 N ATOM 1525 CA HIS A 104 7.576 10.583 6.315 1.00 0.00 C ATOM 1526 C HIS A 104 7.829 11.989 6.865 1.00 0.00 C ATOM 1527 O HIS A 104 8.751 12.675 6.425 1.00 0.00 O ATOM 1528 CB HIS A 104 8.836 9.716 6.304 1.00 0.00 C ATOM 1529 CG HIS A 104 8.561 8.232 6.366 1.00 0.00 C ATOM 1530 ND1 HIS A 104 8.637 7.504 7.541 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.208 7.349 5.388 1.00 0.00 C ATOM 1532 CE1 HIS A 104 8.343 6.241 7.270 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.078 6.147 5.935 1.00 0.00 N ATOM 0 H HIS A 104 7.659 10.956 4.255 1.00 0.00 H new ATOM 0 HA HIS A 104 6.872 10.089 6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.405 9.932 5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.464 9.995 7.150 1.00 0.00 H new ATOM 0 HD1 HIS A 104 8.878 7.877 8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.059 7.588 4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.318 5.428 7.981 1.00 0.00 H new ATOM 1541 N SER A 105 6.995 12.375 7.819 1.00 0.00 N ATOM 1542 CA SER A 105 7.116 13.686 8.433 1.00 0.00 C ATOM 1543 C SER A 105 8.592 14.029 8.647 1.00 0.00 C ATOM 1544 O SER A 105 9.016 15.153 8.382 1.00 0.00 O ATOM 1545 CB SER A 105 6.360 13.744 9.762 1.00 0.00 C ATOM 1546 OG SER A 105 6.007 15.078 10.118 1.00 0.00 O ATOM 0 H SER A 105 6.233 11.803 8.182 1.00 0.00 H new ATOM 0 HA SER A 105 6.672 14.421 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.458 13.137 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.977 13.310 10.549 1.00 0.00 H new ATOM 0 HG SER A 105 5.525 15.072 10.971 1.00 0.00 H new ATOM 1552 N GLY A 106 9.333 13.040 9.123 1.00 0.00 N ATOM 1553 CA GLY A 106 10.753 13.223 9.375 1.00 0.00 C ATOM 1554 C GLY A 106 11.034 13.330 10.875 1.00 0.00 C ATOM 1555 O GLY A 106 10.831 14.384 11.475 1.00 0.00 O ATOM 0 H GLY A 106 8.978 12.109 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.311 12.386 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.102 14.124 8.871 1.00 0.00 H new ATOM 1559 N PRO A 107 11.509 12.194 11.453 1.00 0.00 N ATOM 1560 CA PRO A 107 11.820 12.150 12.872 1.00 0.00 C ATOM 1561 C PRO A 107 13.126 12.889 13.170 1.00 0.00 C ATOM 1562 O PRO A 107 14.090 12.287 13.641 1.00 0.00 O ATOM 1563 CB PRO A 107 11.883 10.670 13.215 1.00 0.00 C ATOM 1564 CG PRO A 107 12.065 9.943 11.892 1.00 0.00 C ATOM 1565 CD PRO A 107 11.761 10.927 10.774 1.00 0.00 C ATOM 0 HA PRO A 107 11.072 12.655 13.483 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.711 10.461 13.893 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.971 10.346 13.716 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.083 9.565 11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.399 9.082 11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.598 11.009 10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.895 10.610 10.193 1.00 0.00 H new ATOM 1573 N SER A 108 13.116 14.182 12.883 1.00 0.00 N ATOM 1574 CA SER A 108 14.288 15.009 13.115 1.00 0.00 C ATOM 1575 C SER A 108 15.457 14.509 12.265 1.00 0.00 C ATOM 1576 O SER A 108 15.907 13.376 12.428 1.00 0.00 O ATOM 1577 CB SER A 108 14.672 15.017 14.596 1.00 0.00 C ATOM 1578 OG SER A 108 13.568 15.349 15.433 1.00 0.00 O ATOM 0 H SER A 108 12.315 14.678 12.492 1.00 0.00 H new ATOM 0 HA SER A 108 14.048 16.032 12.825 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.057 14.036 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.477 15.733 14.758 1.00 0.00 H new ATOM 0 HG SER A 108 13.854 15.342 16.370 1.00 0.00 H new ATOM 1584 N SER A 109 15.916 15.379 11.377 1.00 0.00 N ATOM 1585 CA SER A 109 17.025 15.040 10.501 1.00 0.00 C ATOM 1586 C SER A 109 18.249 15.888 10.854 1.00 0.00 C ATOM 1587 O SER A 109 18.114 17.049 11.236 1.00 0.00 O ATOM 1588 CB SER A 109 16.647 15.237 9.032 1.00 0.00 C ATOM 1589 OG SER A 109 17.360 14.351 8.174 1.00 0.00 O ATOM 0 H SER A 109 15.540 16.318 11.245 1.00 0.00 H new ATOM 0 HA SER A 109 17.267 13.987 10.647 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.576 15.077 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.851 16.267 8.740 1.00 0.00 H new ATOM 0 HG SER A 109 17.089 14.507 7.245 1.00 0.00 H new ATOM 1595 N GLY A 110 19.415 15.275 10.712 1.00 0.00 N ATOM 1596 CA GLY A 110 20.661 15.959 11.010 1.00 0.00 C ATOM 1597 C GLY A 110 21.618 15.900 9.818 1.00 0.00 C ATOM 1598 O GLY A 110 22.824 16.089 9.975 1.00 0.00 O ATOM 0 H GLY A 110 19.523 14.312 10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 110 20.457 16.999 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.131 15.503 11.881 1.00 0.00 H new TER 1602 GLY A 110