USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 991 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 120 GLN : amide:sc= -0.796 K(o=-1.4,f=-3.6!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.587 X(o=-1.4,f=-1.3) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -2.41! C(o=-1.1!,f=-10!) USER MOD Set 2.2: A 114 SER OG : rot 20:sc= 1.26 USER MOD Set 3.1: A 64 GLN : amide:sc= -0.181 X(o=-1.7,f=-1.5) USER MOD Set 3.2: A 69 TYR OH : rot -140:sc= 0.178 USER MOD Set 3.3: A 94 GLN : amide:sc= -1.65 K(o=-1.7,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -137:sc= -1.44! (180deg=-2.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.0851 (180deg=-0.575) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00428 X(o=-0.0043,f=-0.14) USER MOD Single : A 36 THR OG1 : rot 179:sc= 0.913 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.658 F(o=-1.5!,f=-0.66) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= -0.0133 (180deg=-0.194) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0.403 (180deg=0.229) USER MOD Single : A 51 THR OG1 : rot 160:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 37:sc= 0.914 USER MOD Single : A 54 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.5) USER MOD Single : A 56 ASN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HE2:sc= -2.27 F(o=-3.9,f=-2.3) USER MOD Single : A 61 TYR OH : rot -32:sc= 0.542 USER MOD Single : A 63 CYS SG : rot -168:sc= 0.665 USER MOD Single : A 71 CYS SG : rot 18:sc= -1.07 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 87 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.35) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.782 (180deg=-1.26) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 61:sc= 1.25 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.721 USER MOD Single : A 97 TYR OH : rot -3:sc= -0.407 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.68) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -147:sc= -2.36 (180deg=-4.06!) USER MOD Single : A 110 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -53:sc= 1.07 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -4.32! C(o=-4.8!,f=-4.3!) USER MOD Single : A 125 SER OG : rot 130:sc= -0.282 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.124 28.644 17.415 1.00 0.00 N ATOM 2 CA GLY A 1 -5.489 27.982 16.175 1.00 0.00 C ATOM 3 C GLY A 1 -4.493 26.913 15.774 1.00 0.00 C ATOM 4 O GLY A 1 -3.415 27.219 15.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.836 29.366 17.646 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.080 27.944 18.182 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.194 29.097 17.306 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.476 27.532 16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.562 28.723 15.379 1.00 0.00 H new ATOM 8 N SER A 2 -4.853 25.654 16.004 1.00 0.00 N ATOM 9 CA SER A 2 -3.981 24.535 15.668 1.00 0.00 C ATOM 10 C SER A 2 -4.023 24.244 14.171 1.00 0.00 C ATOM 11 O SER A 2 -5.094 24.071 13.591 1.00 0.00 O ATOM 12 CB SER A 2 -4.390 23.288 16.453 1.00 0.00 C ATOM 13 OG SER A 2 -4.134 23.449 17.837 1.00 0.00 O ATOM 0 H SER A 2 -5.743 25.384 16.422 1.00 0.00 H new ATOM 0 HA SER A 2 -2.961 24.808 15.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.450 23.088 16.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.844 22.423 16.077 1.00 0.00 H new ATOM 0 HG SER A 2 -4.406 22.639 18.316 1.00 0.00 H new ATOM 19 N SER A 3 -2.848 24.193 13.551 1.00 0.00 N ATOM 20 CA SER A 3 -2.749 23.928 12.121 1.00 0.00 C ATOM 21 C SER A 3 -2.258 22.506 11.865 1.00 0.00 C ATOM 22 O SER A 3 -1.854 21.801 12.789 1.00 0.00 O ATOM 23 CB SER A 3 -1.804 24.932 11.458 1.00 0.00 C ATOM 24 OG SER A 3 -2.494 26.114 11.090 1.00 0.00 O ATOM 0 H SER A 3 -1.951 24.332 14.017 1.00 0.00 H new ATOM 0 HA SER A 3 -3.743 24.035 11.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.992 25.179 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.351 24.482 10.575 1.00 0.00 H new ATOM 0 HG SER A 3 -1.868 26.741 10.670 1.00 0.00 H new ATOM 30 N GLY A 4 -2.298 22.091 10.602 1.00 0.00 N ATOM 31 CA GLY A 4 -1.856 20.755 10.246 1.00 0.00 C ATOM 32 C GLY A 4 -2.132 20.421 8.794 1.00 0.00 C ATOM 33 O GLY A 4 -2.284 21.315 7.962 1.00 0.00 O ATOM 0 H GLY A 4 -2.628 22.656 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.787 20.666 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.357 20.028 10.885 1.00 0.00 H new ATOM 37 N SER A 5 -2.196 19.129 8.487 1.00 0.00 N ATOM 38 CA SER A 5 -2.451 18.679 7.124 1.00 0.00 C ATOM 39 C SER A 5 -3.794 17.962 7.031 1.00 0.00 C ATOM 40 O SER A 5 -4.178 17.219 7.934 1.00 0.00 O ATOM 41 CB SER A 5 -1.330 17.749 6.654 1.00 0.00 C ATOM 42 OG SER A 5 -1.334 16.535 7.385 1.00 0.00 O ATOM 0 H SER A 5 -2.075 18.376 9.164 1.00 0.00 H new ATOM 0 HA SER A 5 -2.482 19.556 6.478 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.450 17.538 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.367 18.246 6.773 1.00 0.00 H new ATOM 0 HG SER A 5 -0.610 15.958 7.065 1.00 0.00 H new ATOM 48 N SER A 6 -4.505 18.191 5.931 1.00 0.00 N ATOM 49 CA SER A 6 -5.808 17.571 5.720 1.00 0.00 C ATOM 50 C SER A 6 -5.795 16.114 6.172 1.00 0.00 C ATOM 51 O SER A 6 -6.664 15.679 6.927 1.00 0.00 O ATOM 52 CB SER A 6 -6.203 17.655 4.244 1.00 0.00 C ATOM 53 OG SER A 6 -6.739 18.930 3.932 1.00 0.00 O ATOM 0 H SER A 6 -4.201 18.801 5.172 1.00 0.00 H new ATOM 0 HA SER A 6 -6.542 18.112 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.331 17.460 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.937 16.882 4.016 1.00 0.00 H new ATOM 0 HG SER A 6 -6.982 18.959 2.983 1.00 0.00 H new ATOM 59 N GLY A 7 -4.803 15.363 5.703 1.00 0.00 N ATOM 60 CA GLY A 7 -4.695 13.963 6.069 1.00 0.00 C ATOM 61 C GLY A 7 -3.269 13.553 6.380 1.00 0.00 C ATOM 62 O GLY A 7 -2.439 13.438 5.479 1.00 0.00 O ATOM 0 H GLY A 7 -4.072 15.699 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.323 13.768 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.077 13.347 5.255 1.00 0.00 H new ATOM 66 N MET A 8 -2.984 13.335 7.660 1.00 0.00 N ATOM 67 CA MET A 8 -1.648 12.936 8.087 1.00 0.00 C ATOM 68 C MET A 8 -1.530 11.417 8.155 1.00 0.00 C ATOM 69 O MET A 8 -0.429 10.874 8.243 1.00 0.00 O ATOM 70 CB MET A 8 -1.323 13.546 9.452 1.00 0.00 C ATOM 71 CG MET A 8 -2.348 13.218 10.525 1.00 0.00 C ATOM 72 SD MET A 8 -3.669 14.442 10.621 1.00 0.00 S ATOM 73 CE MET A 8 -5.088 13.445 10.174 1.00 0.00 C ATOM 0 H MET A 8 -3.660 13.428 8.419 1.00 0.00 H new ATOM 0 HA MET A 8 -0.933 13.306 7.352 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.345 13.191 9.776 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.251 14.629 9.349 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.780 12.238 10.322 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.848 13.152 11.491 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.722 14.003 9.485 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.751 12.527 9.694 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.656 13.198 11.071 1.00 0.00 H new ATOM 83 N ALA A 9 -2.671 10.736 8.115 1.00 0.00 N ATOM 84 CA ALA A 9 -2.694 9.280 8.171 1.00 0.00 C ATOM 85 C ALA A 9 -2.630 8.676 6.772 1.00 0.00 C ATOM 86 O ALA A 9 -2.765 9.384 5.773 1.00 0.00 O ATOM 87 CB ALA A 9 -3.941 8.800 8.898 1.00 0.00 C ATOM 0 H ALA A 9 -3.591 11.170 8.044 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.814 8.948 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.945 7.711 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.945 9.195 9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.828 9.150 8.369 1.00 0.00 H new ATOM 93 N ILE A 10 -2.422 7.365 6.707 1.00 0.00 N ATOM 94 CA ILE A 10 -2.340 6.667 5.430 1.00 0.00 C ATOM 95 C ILE A 10 -3.559 6.962 4.563 1.00 0.00 C ATOM 96 O ILE A 10 -4.698 6.759 4.985 1.00 0.00 O ATOM 97 CB ILE A 10 -2.220 5.145 5.628 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.972 4.811 6.446 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.182 4.438 4.281 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.042 3.465 7.134 1.00 0.00 C ATOM 0 H ILE A 10 -2.307 6.765 7.524 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.444 7.031 4.928 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.094 4.795 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.102 4.830 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.822 5.586 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.097 3.363 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.098 4.654 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.324 4.791 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.123 3.295 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.892 3.449 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.161 2.680 6.387 1.00 0.00 H new ATOM 112 N LEU A 11 -3.313 7.441 3.349 1.00 0.00 N ATOM 113 CA LEU A 11 -4.391 7.763 2.420 1.00 0.00 C ATOM 114 C LEU A 11 -4.406 6.790 1.245 1.00 0.00 C ATOM 115 O LEU A 11 -5.446 6.225 0.907 1.00 0.00 O ATOM 116 CB LEU A 11 -4.238 9.196 1.908 1.00 0.00 C ATOM 117 CG LEU A 11 -4.327 10.299 2.963 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.744 11.598 2.428 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.769 10.501 3.404 1.00 0.00 C ATOM 0 H LEU A 11 -2.376 7.615 2.984 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.337 7.673 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.275 9.280 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.007 9.376 1.157 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.743 9.993 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.816 12.371 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.698 11.446 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.300 11.909 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.813 11.290 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.376 10.784 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.153 9.574 3.829 1.00 0.00 H new ATOM 131 N PHE A 12 -3.244 6.598 0.628 1.00 0.00 N ATOM 132 CA PHE A 12 -3.123 5.692 -0.508 1.00 0.00 C ATOM 133 C PHE A 12 -2.459 4.383 -0.092 1.00 0.00 C ATOM 134 O PHE A 12 -1.444 4.383 0.604 1.00 0.00 O ATOM 135 CB PHE A 12 -2.318 6.351 -1.630 1.00 0.00 C ATOM 136 CG PHE A 12 -2.355 5.587 -2.922 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.387 5.778 -3.826 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.356 4.679 -3.234 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.424 5.076 -5.016 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.387 3.974 -4.423 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.421 4.174 -5.315 1.00 0.00 C ATOM 0 H PHE A 12 -2.374 7.058 0.896 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.126 5.470 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.703 7.356 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.282 6.457 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.172 6.484 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.544 4.520 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.236 5.232 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.603 3.268 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.446 3.626 -6.245 1.00 0.00 H new ATOM 151 N ALA A 13 -3.040 3.268 -0.522 1.00 0.00 N ATOM 152 CA ALA A 13 -2.505 1.952 -0.196 1.00 0.00 C ATOM 153 C ALA A 13 -3.007 0.897 -1.175 1.00 0.00 C ATOM 154 O ALA A 13 -4.202 0.606 -1.232 1.00 0.00 O ATOM 155 CB ALA A 13 -2.875 1.570 1.230 1.00 0.00 C ATOM 0 H ALA A 13 -3.882 3.250 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.419 1.998 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.469 0.585 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.461 2.303 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.960 1.548 1.331 1.00 0.00 H new ATOM 161 N VAL A 14 -2.087 0.326 -1.946 1.00 0.00 N ATOM 162 CA VAL A 14 -2.436 -0.698 -2.924 1.00 0.00 C ATOM 163 C VAL A 14 -1.428 -1.841 -2.906 1.00 0.00 C ATOM 164 O VAL A 14 -0.298 -1.680 -2.445 1.00 0.00 O ATOM 165 CB VAL A 14 -2.508 -0.113 -4.347 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.270 1.204 -4.345 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.111 0.070 -4.919 1.00 0.00 C ATOM 0 H VAL A 14 -1.094 0.555 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.418 -1.080 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.046 -0.815 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.311 1.602 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.283 1.037 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.763 1.917 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.181 0.484 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.544 0.752 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.605 -0.894 -4.958 1.00 0.00 H new ATOM 177 N VAL A 15 -1.844 -2.998 -3.413 1.00 0.00 N ATOM 178 CA VAL A 15 -0.977 -4.169 -3.458 1.00 0.00 C ATOM 179 C VAL A 15 -0.632 -4.543 -4.895 1.00 0.00 C ATOM 180 O VAL A 15 -1.516 -4.817 -5.705 1.00 0.00 O ATOM 181 CB VAL A 15 -1.633 -5.379 -2.767 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.761 -6.617 -2.916 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.897 -5.077 -1.300 1.00 0.00 C ATOM 0 H VAL A 15 -2.776 -3.149 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.063 -3.907 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.589 -5.577 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.241 -7.462 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.628 -6.843 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.212 -6.434 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.361 -5.943 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.955 -4.852 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.565 -4.219 -1.220 1.00 0.00 H new ATOM 193 N ALA A 16 0.661 -4.552 -5.204 1.00 0.00 N ATOM 194 CA ALA A 16 1.124 -4.895 -6.543 1.00 0.00 C ATOM 195 C ALA A 16 2.363 -5.782 -6.485 1.00 0.00 C ATOM 196 O ALA A 16 3.333 -5.465 -5.795 1.00 0.00 O ATOM 197 CB ALA A 16 1.413 -3.632 -7.341 1.00 0.00 C ATOM 0 H ALA A 16 1.406 -4.326 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 16 0.333 -5.454 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.758 -3.903 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.504 -3.036 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.185 -3.051 -6.836 1.00 0.00 H new ATOM 203 N ARG A 17 2.324 -6.893 -7.213 1.00 0.00 N ATOM 204 CA ARG A 17 3.444 -7.827 -7.242 1.00 0.00 C ATOM 205 C ARG A 17 4.452 -7.433 -8.318 1.00 0.00 C ATOM 206 O ARG A 17 4.307 -7.800 -9.483 1.00 0.00 O ATOM 207 CB ARG A 17 2.943 -9.250 -7.494 1.00 0.00 C ATOM 208 CG ARG A 17 1.839 -9.331 -8.536 1.00 0.00 C ATOM 209 CD ARG A 17 1.622 -10.760 -9.007 1.00 0.00 C ATOM 210 NE ARG A 17 1.146 -10.816 -10.387 1.00 0.00 N ATOM 211 CZ ARG A 17 1.949 -10.760 -11.444 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.260 -10.648 -11.279 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.441 -10.816 -12.668 1.00 0.00 N ATOM 0 H ARG A 17 1.530 -7.169 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 17 3.940 -7.791 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.780 -9.869 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.578 -9.669 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.912 -8.940 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.094 -8.701 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.556 -11.315 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.900 -11.251 -8.354 1.00 0.00 H new ATOM 0 HE ARG A 17 0.143 -10.903 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.654 -10.605 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.875 -10.605 -12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.433 -10.902 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.058 -10.773 -13.479 1.00 0.00 H new ATOM 227 N GLY A 18 5.474 -6.682 -7.918 1.00 0.00 N ATOM 228 CA GLY A 18 6.490 -6.250 -8.859 1.00 0.00 C ATOM 229 C GLY A 18 6.020 -5.107 -9.737 1.00 0.00 C ATOM 230 O GLY A 18 6.196 -3.937 -9.394 1.00 0.00 O ATOM 0 H GLY A 18 5.616 -6.365 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.380 -5.941 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.779 -7.092 -9.488 1.00 0.00 H new ATOM 234 N THR A 19 5.420 -5.444 -10.874 1.00 0.00 N ATOM 235 CA THR A 19 4.925 -4.438 -11.805 1.00 0.00 C ATOM 236 C THR A 19 3.466 -4.692 -12.165 1.00 0.00 C ATOM 237 O THR A 19 2.996 -4.279 -13.226 1.00 0.00 O ATOM 238 CB THR A 19 5.763 -4.407 -13.097 1.00 0.00 C ATOM 239 OG1 THR A 19 6.072 -5.742 -13.512 1.00 0.00 O ATOM 240 CG2 THR A 19 7.051 -3.624 -12.888 1.00 0.00 C ATOM 0 H THR A 19 5.265 -6.407 -11.172 1.00 0.00 H new ATOM 0 HA THR A 19 5.010 -3.474 -11.303 1.00 0.00 H new ATOM 0 HB THR A 19 5.178 -3.912 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.603 -5.714 -14.335 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.626 -3.616 -13.814 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.812 -2.600 -12.600 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.639 -4.094 -12.100 1.00 0.00 H new ATOM 248 N THR A 20 2.752 -5.375 -11.276 1.00 0.00 N ATOM 249 CA THR A 20 1.345 -5.685 -11.500 1.00 0.00 C ATOM 250 C THR A 20 0.511 -5.383 -10.261 1.00 0.00 C ATOM 251 O THR A 20 0.868 -5.777 -9.150 1.00 0.00 O ATOM 252 CB THR A 20 1.151 -7.162 -11.889 1.00 0.00 C ATOM 253 OG1 THR A 20 1.969 -7.483 -13.019 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.307 -7.449 -12.215 1.00 0.00 C ATOM 0 H THR A 20 3.125 -5.724 -10.393 1.00 0.00 H new ATOM 0 HA THR A 20 1.009 -5.053 -12.322 1.00 0.00 H new ATOM 0 HB THR A 20 1.446 -7.779 -11.040 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.726 -8.370 -13.358 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.419 -8.499 -12.487 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.924 -7.232 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.624 -6.822 -13.049 1.00 0.00 H new ATOM 262 N ILE A 21 -0.601 -4.683 -10.458 1.00 0.00 N ATOM 263 CA ILE A 21 -1.487 -4.331 -9.355 1.00 0.00 C ATOM 264 C ILE A 21 -2.667 -5.294 -9.269 1.00 0.00 C ATOM 265 O ILE A 21 -3.559 -5.278 -10.118 1.00 0.00 O ATOM 266 CB ILE A 21 -2.021 -2.894 -9.499 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.860 -1.904 -9.614 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.912 -2.539 -8.318 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.274 -0.544 -10.130 1.00 0.00 C ATOM 0 H ILE A 21 -0.910 -4.348 -11.371 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.897 -4.401 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.617 -2.833 -10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.395 -1.786 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.103 -2.320 -10.278 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.282 -1.520 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.755 -3.229 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.338 -2.613 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.400 0.105 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.712 -0.649 -11.123 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.009 -0.107 -9.454 1.00 0.00 H new ATOM 281 N LEU A 22 -2.667 -6.129 -8.236 1.00 0.00 N ATOM 282 CA LEU A 22 -3.738 -7.099 -8.037 1.00 0.00 C ATOM 283 C LEU A 22 -4.983 -6.425 -7.467 1.00 0.00 C ATOM 284 O LEU A 22 -6.087 -6.600 -7.982 1.00 0.00 O ATOM 285 CB LEU A 22 -3.275 -8.215 -7.100 1.00 0.00 C ATOM 286 CG LEU A 22 -2.137 -9.097 -7.617 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.491 -9.860 -6.472 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.649 -10.058 -8.680 1.00 0.00 C ATOM 0 H LEU A 22 -1.938 -6.154 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.990 -7.529 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.960 -7.764 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.130 -8.853 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.381 -8.455 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.684 -10.482 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.089 -9.154 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.237 -10.492 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.826 -10.678 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.424 -10.694 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.064 -9.491 -9.513 1.00 0.00 H new ATOM 300 N ALA A 23 -4.796 -5.653 -6.402 1.00 0.00 N ATOM 301 CA ALA A 23 -5.902 -4.949 -5.765 1.00 0.00 C ATOM 302 C ALA A 23 -5.466 -3.575 -5.268 1.00 0.00 C ATOM 303 O ALA A 23 -4.571 -3.462 -4.430 1.00 0.00 O ATOM 304 CB ALA A 23 -6.461 -5.775 -4.615 1.00 0.00 C ATOM 0 H ALA A 23 -3.889 -5.499 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.685 -4.805 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.286 -5.237 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.820 -6.732 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.678 -5.948 -3.877 1.00 0.00 H new ATOM 310 N LYS A 24 -6.103 -2.533 -5.790 1.00 0.00 N ATOM 311 CA LYS A 24 -5.781 -1.165 -5.400 1.00 0.00 C ATOM 312 C LYS A 24 -7.000 -0.469 -4.801 1.00 0.00 C ATOM 313 O LYS A 24 -8.112 -0.589 -5.318 1.00 0.00 O ATOM 314 CB LYS A 24 -5.272 -0.375 -6.607 1.00 0.00 C ATOM 315 CG LYS A 24 -6.264 -0.310 -7.755 1.00 0.00 C ATOM 316 CD LYS A 24 -5.870 0.745 -8.774 1.00 0.00 C ATOM 317 CE LYS A 24 -7.085 1.290 -9.511 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.001 2.030 -8.599 1.00 0.00 N ATOM 0 H LYS A 24 -6.846 -2.609 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.998 -1.204 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.029 0.639 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.347 -0.828 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.322 -1.283 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.258 -0.088 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.351 1.562 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.170 0.316 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.757 1.952 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.625 0.467 -9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.542 2.731 -9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.657 1.361 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.444 2.516 -7.867 1.00 0.00 H new ATOM 332 N HIS A 25 -6.784 0.259 -3.711 1.00 0.00 N ATOM 333 CA HIS A 25 -7.864 0.976 -3.043 1.00 0.00 C ATOM 334 C HIS A 25 -7.327 2.187 -2.286 1.00 0.00 C ATOM 335 O HIS A 25 -6.597 2.044 -1.306 1.00 0.00 O ATOM 336 CB HIS A 25 -8.604 0.046 -2.082 1.00 0.00 C ATOM 337 CG HIS A 25 -9.511 0.765 -1.131 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.830 1.046 -1.416 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.281 1.260 0.108 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.373 1.684 -0.394 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.454 1.827 0.544 1.00 0.00 N ATOM 0 H HIS A 25 -5.870 0.368 -3.271 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.560 1.326 -3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.190 -0.668 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.874 -0.528 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.349 1.217 0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.395 2.030 -0.336 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.593 2.284 1.445 1.00 0.00 H new ATOM 350 N ALA A 26 -7.693 3.378 -2.748 1.00 0.00 N ATOM 351 CA ALA A 26 -7.249 4.613 -2.114 1.00 0.00 C ATOM 352 C ALA A 26 -8.410 5.584 -1.931 1.00 0.00 C ATOM 353 O ALA A 26 -9.478 5.407 -2.517 1.00 0.00 O ATOM 354 CB ALA A 26 -6.142 5.258 -2.933 1.00 0.00 C ATOM 0 H ALA A 26 -8.296 3.514 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.858 4.366 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.820 6.179 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.298 4.573 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.514 5.485 -3.932 1.00 0.00 H new ATOM 360 N TRP A 27 -8.194 6.610 -1.116 1.00 0.00 N ATOM 361 CA TRP A 27 -9.223 7.610 -0.856 1.00 0.00 C ATOM 362 C TRP A 27 -9.433 8.505 -2.072 1.00 0.00 C ATOM 363 O TRP A 27 -8.520 8.699 -2.875 1.00 0.00 O ATOM 364 CB TRP A 27 -8.844 8.459 0.358 1.00 0.00 C ATOM 365 CG TRP A 27 -9.068 7.761 1.665 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.385 6.680 2.145 1.00 0.00 C ATOM 367 CD2 TRP A 27 -10.043 8.094 2.659 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.877 6.321 3.376 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.894 7.173 3.715 1.00 0.00 C ATOM 370 CE3 TRP A 27 -11.027 9.082 2.761 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.693 7.213 4.855 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.819 9.119 3.892 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.648 8.190 4.927 1.00 0.00 C ATOM 0 H TRP A 27 -7.315 6.771 -0.624 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.157 7.087 -0.648 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.794 8.742 0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.425 9.381 0.343 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.577 6.181 1.632 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.539 5.545 3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.165 9.804 1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.563 6.498 5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.583 9.877 3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.283 8.246 5.799 1.00 0.00 H new ATOM 384 N CYS A 28 -10.639 9.046 -2.202 1.00 0.00 N ATOM 385 CA CYS A 28 -10.967 9.921 -3.322 1.00 0.00 C ATOM 386 C CYS A 28 -10.357 11.305 -3.128 1.00 0.00 C ATOM 387 O CYS A 28 -10.723 12.033 -2.206 1.00 0.00 O ATOM 388 CB CYS A 28 -12.484 10.036 -3.478 1.00 0.00 C ATOM 389 SG CYS A 28 -13.008 10.968 -4.937 1.00 0.00 S ATOM 0 H CYS A 28 -11.406 8.894 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.548 9.484 -4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.910 9.034 -3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.895 10.513 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.307 11.008 -4.983 1.00 0.00 H new ATOM 395 N GLY A 29 -9.422 11.662 -4.004 1.00 0.00 N ATOM 396 CA GLY A 29 -8.775 12.958 -3.911 1.00 0.00 C ATOM 397 C GLY A 29 -7.281 12.878 -4.157 1.00 0.00 C ATOM 398 O GLY A 29 -6.497 12.733 -3.221 1.00 0.00 O ATOM 0 H GLY A 29 -9.101 11.077 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.224 13.638 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.955 13.381 -2.923 1.00 0.00 H new ATOM 402 N GLY A 30 -6.886 12.973 -5.423 1.00 0.00 N ATOM 403 CA GLY A 30 -5.478 12.907 -5.768 1.00 0.00 C ATOM 404 C GLY A 30 -5.159 11.741 -6.683 1.00 0.00 C ATOM 405 O GLY A 30 -5.895 10.756 -6.724 1.00 0.00 O ATOM 0 H GLY A 30 -7.516 13.095 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.182 13.837 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.887 12.821 -4.856 1.00 0.00 H new ATOM 409 N ASN A 31 -4.059 11.854 -7.420 1.00 0.00 N ATOM 410 CA ASN A 31 -3.645 10.801 -8.342 1.00 0.00 C ATOM 411 C ASN A 31 -2.297 10.217 -7.931 1.00 0.00 C ATOM 412 O ASN A 31 -1.247 10.801 -8.202 1.00 0.00 O ATOM 413 CB ASN A 31 -3.563 11.347 -9.769 1.00 0.00 C ATOM 414 CG ASN A 31 -4.897 11.288 -10.488 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.538 10.238 -10.545 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.322 12.418 -11.041 1.00 0.00 N ATOM 0 H ASN A 31 -3.438 12.663 -7.397 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.391 10.007 -8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.214 12.379 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.824 10.776 -10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.213 12.439 -11.538 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.758 13.265 -10.969 1.00 0.00 H new ATOM 423 N PHE A 32 -2.334 9.062 -7.275 1.00 0.00 N ATOM 424 CA PHE A 32 -1.115 8.399 -6.826 1.00 0.00 C ATOM 425 C PHE A 32 -0.766 7.227 -7.739 1.00 0.00 C ATOM 426 O PHE A 32 0.400 7.010 -8.072 1.00 0.00 O ATOM 427 CB PHE A 32 -1.278 7.907 -5.386 1.00 0.00 C ATOM 428 CG PHE A 32 -1.050 8.978 -4.358 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.206 9.538 -4.189 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.092 9.425 -3.561 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.418 10.523 -3.243 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.886 10.411 -2.614 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.629 10.961 -2.455 1.00 0.00 C ATOM 0 H PHE A 32 -3.194 8.566 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.301 9.123 -6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.282 7.502 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.579 7.089 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.028 9.201 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.077 8.998 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.402 10.950 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.707 10.751 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.465 11.732 -1.716 1.00 0.00 H new ATOM 443 N LEU A 33 -1.784 6.473 -8.139 1.00 0.00 N ATOM 444 CA LEU A 33 -1.586 5.322 -9.013 1.00 0.00 C ATOM 445 C LEU A 33 -0.479 5.592 -10.027 1.00 0.00 C ATOM 446 O LEU A 33 0.249 4.682 -10.422 1.00 0.00 O ATOM 447 CB LEU A 33 -2.887 4.979 -9.741 1.00 0.00 C ATOM 448 CG LEU A 33 -2.862 3.718 -10.605 1.00 0.00 C ATOM 449 CD1 LEU A 33 -3.025 2.476 -9.742 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.948 3.778 -11.668 1.00 0.00 C ATOM 0 H LEU A 33 -2.755 6.638 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.289 4.475 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.677 4.870 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.159 5.824 -10.374 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.895 3.663 -11.105 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.005 1.588 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.210 2.425 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.977 2.523 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.915 2.872 -12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.923 3.858 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.785 4.647 -12.306 1.00 0.00 H new ATOM 462 N GLU A 34 -0.358 6.849 -10.442 1.00 0.00 N ATOM 463 CA GLU A 34 0.662 7.238 -11.409 1.00 0.00 C ATOM 464 C GLU A 34 2.060 7.099 -10.812 1.00 0.00 C ATOM 465 O GLU A 34 2.846 6.251 -11.234 1.00 0.00 O ATOM 466 CB GLU A 34 0.434 8.679 -11.872 1.00 0.00 C ATOM 467 CG GLU A 34 1.007 8.973 -13.248 1.00 0.00 C ATOM 468 CD GLU A 34 1.102 10.459 -13.534 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.050 11.083 -13.787 1.00 0.00 O ATOM 470 OE2 GLU A 34 2.228 10.999 -13.506 1.00 0.00 O ATOM 0 H GLU A 34 -0.953 7.614 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 34 0.585 6.571 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.637 8.884 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.882 9.360 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.998 8.527 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.383 8.500 -14.006 1.00 0.00 H new ATOM 477 N VAL A 35 2.362 7.938 -9.826 1.00 0.00 N ATOM 478 CA VAL A 35 3.663 7.910 -9.170 1.00 0.00 C ATOM 479 C VAL A 35 3.964 6.525 -8.606 1.00 0.00 C ATOM 480 O VAL A 35 5.085 6.027 -8.718 1.00 0.00 O ATOM 481 CB VAL A 35 3.740 8.943 -8.031 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.923 8.481 -6.834 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.188 9.192 -7.635 1.00 0.00 C ATOM 0 H VAL A 35 1.723 8.646 -9.464 1.00 0.00 H new ATOM 0 HA VAL A 35 4.405 8.160 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 35 3.318 9.883 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.990 9.224 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.881 8.359 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.312 7.529 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.224 9.925 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.639 8.259 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.740 9.571 -8.495 1.00 0.00 H new ATOM 493 N THR A 36 2.956 5.907 -7.999 1.00 0.00 N ATOM 494 CA THR A 36 3.112 4.581 -7.417 1.00 0.00 C ATOM 495 C THR A 36 3.572 3.572 -8.463 1.00 0.00 C ATOM 496 O THR A 36 4.644 2.981 -8.338 1.00 0.00 O ATOM 497 CB THR A 36 1.796 4.085 -6.786 1.00 0.00 C ATOM 498 OG1 THR A 36 1.432 4.927 -5.687 1.00 0.00 O ATOM 499 CG2 THR A 36 1.933 2.648 -6.308 1.00 0.00 C ATOM 0 H THR A 36 2.022 6.305 -7.898 1.00 0.00 H new ATOM 0 HA THR A 36 3.870 4.665 -6.639 1.00 0.00 H new ATOM 0 HB THR A 36 1.016 4.125 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.584 4.618 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.992 2.320 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.181 2.006 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.725 2.587 -5.561 1.00 0.00 H new ATOM 507 N GLU A 37 2.754 3.380 -9.494 1.00 0.00 N ATOM 508 CA GLU A 37 3.079 2.442 -10.561 1.00 0.00 C ATOM 509 C GLU A 37 4.510 2.648 -11.050 1.00 0.00 C ATOM 510 O GLU A 37 5.286 1.697 -11.149 1.00 0.00 O ATOM 511 CB GLU A 37 2.102 2.603 -11.728 1.00 0.00 C ATOM 512 CG GLU A 37 0.774 1.897 -11.511 1.00 0.00 C ATOM 513 CD GLU A 37 0.094 1.522 -12.814 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.145 2.427 -13.641 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.199 0.323 -13.006 1.00 0.00 O ATOM 0 H GLU A 37 1.863 3.861 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 37 2.992 1.432 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.917 3.665 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.566 2.216 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.938 0.997 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.113 2.543 -10.933 1.00 0.00 H new ATOM 522 N GLN A 38 4.851 3.896 -11.355 1.00 0.00 N ATOM 523 CA GLN A 38 6.188 4.227 -11.834 1.00 0.00 C ATOM 524 C GLN A 38 7.256 3.637 -10.919 1.00 0.00 C ATOM 525 O GLN A 38 8.157 2.932 -11.375 1.00 0.00 O ATOM 526 CB GLN A 38 6.359 5.744 -11.926 1.00 0.00 C ATOM 527 CG GLN A 38 5.554 6.380 -13.048 1.00 0.00 C ATOM 528 CD GLN A 38 5.953 5.865 -14.417 1.00 0.00 C ATOM 529 OE1 GLN A 38 5.454 4.688 -14.775 1.00 0.00 O flip ATOM 530 NE2 GLN A 38 6.702 6.517 -15.145 1.00 0.00 N flip ATOM 0 H GLN A 38 4.220 4.694 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 38 6.308 3.794 -12.827 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.063 6.193 -10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.414 5.974 -12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.494 6.185 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.687 7.461 -13.018 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.063 7.418 -14.830 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.962 6.157 -16.063 1.00 0.00 H new ATOM 539 N ILE A 39 7.149 3.932 -9.628 1.00 0.00 N ATOM 540 CA ILE A 39 8.106 3.430 -8.649 1.00 0.00 C ATOM 541 C ILE A 39 8.178 1.907 -8.681 1.00 0.00 C ATOM 542 O ILE A 39 9.262 1.324 -8.631 1.00 0.00 O ATOM 543 CB ILE A 39 7.744 3.886 -7.223 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.744 5.413 -7.137 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.716 3.293 -6.215 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.125 6.024 -7.232 1.00 0.00 C ATOM 0 H ILE A 39 6.410 4.515 -9.236 1.00 0.00 H new ATOM 0 HA ILE A 39 9.078 3.843 -8.918 1.00 0.00 H new ATOM 0 HB ILE A 39 6.742 3.528 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.122 5.814 -7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.286 5.716 -6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.447 3.624 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.670 2.205 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.728 3.624 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.048 7.109 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.744 5.652 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.579 5.752 -8.185 1.00 0.00 H new ATOM 558 N LEU A 40 7.017 1.267 -8.766 1.00 0.00 N ATOM 559 CA LEU A 40 6.947 -0.189 -8.808 1.00 0.00 C ATOM 560 C LEU A 40 7.845 -0.747 -9.907 1.00 0.00 C ATOM 561 O LEU A 40 8.572 -1.717 -9.696 1.00 0.00 O ATOM 562 CB LEU A 40 5.504 -0.644 -9.032 1.00 0.00 C ATOM 563 CG LEU A 40 4.537 -0.409 -7.871 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.126 -0.823 -8.259 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.996 -1.167 -6.633 1.00 0.00 C ATOM 0 H LEU A 40 6.111 1.734 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 40 7.297 -0.572 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.115 -0.131 -9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.512 -1.709 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 40 4.530 0.656 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.452 -0.649 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.797 -0.236 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.116 -1.882 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.296 -0.988 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.033 -2.234 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.988 -0.822 -6.342 1.00 0.00 H new ATOM 577 N ALA A 41 7.790 -0.125 -11.081 1.00 0.00 N ATOM 578 CA ALA A 41 8.602 -0.556 -12.212 1.00 0.00 C ATOM 579 C ALA A 41 10.089 -0.442 -11.896 1.00 0.00 C ATOM 580 O ALA A 41 10.934 -0.914 -12.657 1.00 0.00 O ATOM 581 CB ALA A 41 8.259 0.261 -13.449 1.00 0.00 C ATOM 0 H ALA A 41 7.192 0.679 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 41 8.379 -1.605 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.873 -0.071 -14.286 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.206 0.125 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.452 1.316 -13.254 1.00 0.00 H new ATOM 587 N LYS A 42 10.403 0.187 -10.769 1.00 0.00 N ATOM 588 CA LYS A 42 11.789 0.363 -10.351 1.00 0.00 C ATOM 589 C LYS A 42 12.128 -0.564 -9.188 1.00 0.00 C ATOM 590 O LYS A 42 13.269 -1.005 -9.047 1.00 0.00 O ATOM 591 CB LYS A 42 12.041 1.818 -9.947 1.00 0.00 C ATOM 592 CG LYS A 42 12.071 2.779 -11.123 1.00 0.00 C ATOM 593 CD LYS A 42 11.971 4.224 -10.665 1.00 0.00 C ATOM 594 CE LYS A 42 11.296 5.096 -11.713 1.00 0.00 C ATOM 595 NZ LYS A 42 9.820 5.148 -11.524 1.00 0.00 N ATOM 0 H LYS A 42 9.716 0.584 -10.128 1.00 0.00 H new ATOM 0 HA LYS A 42 12.432 0.110 -11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.264 2.133 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.990 1.879 -9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.994 2.638 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.247 2.553 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.409 4.273 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.969 4.610 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.704 6.105 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.521 4.710 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.412 5.855 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.411 4.214 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.605 5.411 -10.541 1.00 0.00 H new ATOM 609 N ILE A 43 11.131 -0.856 -8.359 1.00 0.00 N ATOM 610 CA ILE A 43 11.325 -1.732 -7.211 1.00 0.00 C ATOM 611 C ILE A 43 11.604 -3.164 -7.654 1.00 0.00 C ATOM 612 O ILE A 43 10.838 -3.769 -8.404 1.00 0.00 O ATOM 613 CB ILE A 43 10.096 -1.724 -6.283 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.761 -0.293 -5.857 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.346 -2.600 -5.065 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.397 -0.157 -5.217 1.00 0.00 C ATOM 0 H ILE A 43 10.181 -0.499 -8.461 1.00 0.00 H new ATOM 0 HA ILE A 43 12.186 -1.349 -6.663 1.00 0.00 H new ATOM 0 HB ILE A 43 9.244 -2.130 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.519 0.056 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.811 0.358 -6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.468 -2.584 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.541 -3.623 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.208 -2.222 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.227 0.884 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.630 -0.475 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.350 -0.782 -4.325 1.00 0.00 H new ATOM 628 N PRO A 44 12.727 -3.722 -7.178 1.00 0.00 N ATOM 629 CA PRO A 44 13.133 -5.091 -7.509 1.00 0.00 C ATOM 630 C PRO A 44 12.226 -6.136 -6.868 1.00 0.00 C ATOM 631 O PRO A 44 11.553 -5.862 -5.875 1.00 0.00 O ATOM 632 CB PRO A 44 14.549 -5.190 -6.937 1.00 0.00 C ATOM 633 CG PRO A 44 14.586 -4.183 -5.840 1.00 0.00 C ATOM 634 CD PRO A 44 13.687 -3.060 -6.279 1.00 0.00 C ATOM 0 HA PRO A 44 13.077 -5.284 -8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.755 -6.192 -6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.299 -4.974 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.240 -4.616 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.602 -3.826 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.186 -2.591 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.244 -2.277 -6.793 1.00 0.00 H new ATOM 642 N SER A 45 12.213 -7.335 -7.443 1.00 0.00 N ATOM 643 CA SER A 45 11.386 -8.420 -6.929 1.00 0.00 C ATOM 644 C SER A 45 12.024 -9.053 -5.697 1.00 0.00 C ATOM 645 O SER A 45 11.338 -9.647 -4.865 1.00 0.00 O ATOM 646 CB SER A 45 11.172 -9.482 -8.009 1.00 0.00 C ATOM 647 OG SER A 45 12.403 -10.060 -8.407 1.00 0.00 O ATOM 0 H SER A 45 12.766 -7.579 -8.265 1.00 0.00 H new ATOM 0 HA SER A 45 10.420 -8.003 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.507 -10.259 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.681 -9.033 -8.873 1.00 0.00 H new ATOM 0 HG SER A 45 12.239 -10.737 -9.097 1.00 0.00 H new ATOM 653 N GLU A 46 13.342 -8.921 -5.587 1.00 0.00 N ATOM 654 CA GLU A 46 14.074 -9.481 -4.456 1.00 0.00 C ATOM 655 C GLU A 46 13.475 -9.011 -3.134 1.00 0.00 C ATOM 656 O GLU A 46 13.036 -7.869 -3.011 1.00 0.00 O ATOM 657 CB GLU A 46 15.550 -9.086 -4.530 1.00 0.00 C ATOM 658 CG GLU A 46 15.804 -7.621 -4.217 1.00 0.00 C ATOM 659 CD GLU A 46 17.029 -7.077 -4.927 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.182 -7.348 -6.137 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.833 -6.381 -4.274 1.00 0.00 O ATOM 0 H GLU A 46 13.925 -8.432 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 46 13.993 -10.567 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.118 -9.702 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.927 -9.306 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.931 -7.035 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.928 -7.499 -3.141 1.00 0.00 H new ATOM 668 N ASN A 47 13.461 -9.902 -2.148 1.00 0.00 N ATOM 669 CA ASN A 47 12.915 -9.580 -0.834 1.00 0.00 C ATOM 670 C ASN A 47 13.787 -8.551 -0.121 1.00 0.00 C ATOM 671 O ASN A 47 14.842 -8.884 0.418 1.00 0.00 O ATOM 672 CB ASN A 47 12.799 -10.845 0.017 1.00 0.00 C ATOM 673 CG ASN A 47 11.507 -11.598 -0.239 1.00 0.00 C ATOM 674 OD1 ASN A 47 10.910 -11.483 -1.309 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.069 -12.374 0.746 1.00 0.00 N ATOM 0 H ASN A 47 13.821 -10.852 -2.234 1.00 0.00 H new ATOM 0 HA ASN A 47 11.922 -9.154 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.645 -11.499 -0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.857 -10.577 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.205 -12.905 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.596 -12.439 1.617 1.00 0.00 H new ATOM 682 N ASN A 48 13.338 -7.300 -0.121 1.00 0.00 N ATOM 683 CA ASN A 48 14.077 -6.223 0.526 1.00 0.00 C ATOM 684 C ASN A 48 13.218 -4.967 0.643 1.00 0.00 C ATOM 685 O ASN A 48 12.513 -4.594 -0.295 1.00 0.00 O ATOM 686 CB ASN A 48 15.354 -5.909 -0.257 1.00 0.00 C ATOM 687 CG ASN A 48 16.260 -4.940 0.478 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.897 -5.299 1.468 1.00 0.00 O ATOM 689 ND2 ASN A 48 16.320 -3.705 -0.004 1.00 0.00 N ATOM 0 H ASN A 48 12.466 -7.008 -0.562 1.00 0.00 H new ATOM 0 HA ASN A 48 14.346 -6.553 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.896 -6.835 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.088 -5.489 -1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.912 -3.009 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.774 -3.452 -0.828 1.00 0.00 H new ATOM 696 N LYS A 49 13.281 -4.319 1.802 1.00 0.00 N ATOM 697 CA LYS A 49 12.511 -3.105 2.043 1.00 0.00 C ATOM 698 C LYS A 49 13.421 -1.881 2.071 1.00 0.00 C ATOM 699 O LYS A 49 14.618 -1.990 2.340 1.00 0.00 O ATOM 700 CB LYS A 49 11.745 -3.215 3.363 1.00 0.00 C ATOM 701 CG LYS A 49 12.639 -3.465 4.565 1.00 0.00 C ATOM 702 CD LYS A 49 11.852 -3.419 5.864 1.00 0.00 C ATOM 703 CE LYS A 49 11.419 -2.001 6.205 1.00 0.00 C ATOM 704 NZ LYS A 49 10.784 -1.923 7.549 1.00 0.00 N ATOM 0 H LYS A 49 13.858 -4.615 2.589 1.00 0.00 H new ATOM 0 HA LYS A 49 11.799 -2.988 1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.182 -2.296 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.019 -4.024 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.121 -4.437 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.432 -2.717 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.973 -4.059 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.462 -3.819 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.285 -1.340 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.718 -1.644 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.225 -1.049 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.161 -2.744 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.522 -1.921 8.282 1.00 0.00 H new ATOM 718 N LEU A 50 12.846 -0.716 1.794 1.00 0.00 N ATOM 719 CA LEU A 50 13.605 0.530 1.790 1.00 0.00 C ATOM 720 C LEU A 50 12.672 1.736 1.814 1.00 0.00 C ATOM 721 O LEU A 50 11.606 1.724 1.199 1.00 0.00 O ATOM 722 CB LEU A 50 14.509 0.595 0.557 1.00 0.00 C ATOM 723 CG LEU A 50 14.970 1.991 0.136 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.305 1.916 -0.589 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.921 2.657 -0.742 1.00 0.00 C ATOM 0 H LEU A 50 11.857 -0.608 1.569 1.00 0.00 H new ATOM 0 HA LEU A 50 14.222 0.554 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.392 -0.016 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.980 0.141 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 50 15.101 2.596 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.617 2.919 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.054 1.481 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.202 1.295 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.266 3.649 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.758 2.054 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.986 2.745 -0.189 1.00 0.00 H new ATOM 737 N THR A 51 13.081 2.780 2.529 1.00 0.00 N ATOM 738 CA THR A 51 12.283 3.995 2.634 1.00 0.00 C ATOM 739 C THR A 51 12.559 4.936 1.467 1.00 0.00 C ATOM 740 O THR A 51 13.665 5.461 1.328 1.00 0.00 O ATOM 741 CB THR A 51 12.560 4.737 3.955 1.00 0.00 C ATOM 742 OG1 THR A 51 12.342 3.860 5.065 1.00 0.00 O ATOM 743 CG2 THR A 51 11.666 5.961 4.086 1.00 0.00 C ATOM 0 H THR A 51 13.961 2.808 3.044 1.00 0.00 H new ATOM 0 HA THR A 51 11.237 3.689 2.611 1.00 0.00 H new ATOM 0 HB THR A 51 13.600 5.065 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.810 4.207 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.880 6.469 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.856 6.641 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.621 5.652 4.070 1.00 0.00 H new ATOM 751 N TYR A 52 11.549 5.148 0.632 1.00 0.00 N ATOM 752 CA TYR A 52 11.684 6.025 -0.525 1.00 0.00 C ATOM 753 C TYR A 52 11.010 7.370 -0.270 1.00 0.00 C ATOM 754 O TYR A 52 9.814 7.434 0.013 1.00 0.00 O ATOM 755 CB TYR A 52 11.078 5.366 -1.765 1.00 0.00 C ATOM 756 CG TYR A 52 11.746 5.780 -3.058 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.788 7.114 -3.444 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.333 4.837 -3.892 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.396 7.497 -4.624 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.944 5.211 -5.073 1.00 0.00 C ATOM 761 CZ TYR A 52 12.973 6.541 -5.435 1.00 0.00 C ATOM 762 OH TYR A 52 13.580 6.918 -6.611 1.00 0.00 O ATOM 0 H TYR A 52 10.627 4.724 0.734 1.00 0.00 H new ATOM 0 HA TYR A 52 12.747 6.197 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.146 4.283 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.018 5.615 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.338 7.864 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.311 3.794 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.420 8.538 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.397 4.465 -5.710 1.00 0.00 H new ATOM 0 HH TYR A 52 13.937 6.125 -7.064 1.00 0.00 H new ATOM 772 N SER A 53 11.788 8.443 -0.373 1.00 0.00 N ATOM 773 CA SER A 53 11.269 9.788 -0.150 1.00 0.00 C ATOM 774 C SER A 53 10.907 10.456 -1.473 1.00 0.00 C ATOM 775 O SER A 53 11.783 10.877 -2.229 1.00 0.00 O ATOM 776 CB SER A 53 12.298 10.637 0.599 1.00 0.00 C ATOM 777 OG SER A 53 13.477 10.805 -0.170 1.00 0.00 O ATOM 0 H SER A 53 12.780 8.407 -0.609 1.00 0.00 H new ATOM 0 HA SER A 53 10.366 9.707 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.870 11.612 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.544 10.162 1.549 1.00 0.00 H new ATOM 0 HG SER A 53 13.240 10.895 -1.117 1.00 0.00 H new ATOM 783 N HIS A 54 9.610 10.550 -1.746 1.00 0.00 N ATOM 784 CA HIS A 54 9.130 11.168 -2.978 1.00 0.00 C ATOM 785 C HIS A 54 8.322 12.426 -2.675 1.00 0.00 C ATOM 786 O HIS A 54 7.247 12.357 -2.082 1.00 0.00 O ATOM 787 CB HIS A 54 8.277 10.178 -3.771 1.00 0.00 C ATOM 788 CG HIS A 54 8.003 10.616 -5.177 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.211 11.702 -5.485 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.420 10.108 -6.360 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.153 11.843 -6.798 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.879 10.889 -7.352 1.00 0.00 N ATOM 0 H HIS A 54 8.872 10.206 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 54 9.997 11.449 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.781 9.212 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.329 10.032 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.059 9.249 -6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.605 12.608 -7.328 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.016 10.754 -8.354 1.00 0.00 H new ATOM 801 N GLY A 55 8.849 13.575 -3.087 1.00 0.00 N ATOM 802 CA GLY A 55 8.164 14.832 -2.850 1.00 0.00 C ATOM 803 C GLY A 55 7.853 15.056 -1.384 1.00 0.00 C ATOM 804 O GLY A 55 8.639 14.688 -0.513 1.00 0.00 O ATOM 0 H GLY A 55 9.738 13.658 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.780 15.653 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.236 14.850 -3.422 1.00 0.00 H new ATOM 808 N ASN A 56 6.702 15.662 -1.111 1.00 0.00 N ATOM 809 CA ASN A 56 6.289 15.937 0.261 1.00 0.00 C ATOM 810 C ASN A 56 5.510 14.760 0.840 1.00 0.00 C ATOM 811 O ASN A 56 4.533 14.946 1.566 1.00 0.00 O ATOM 812 CB ASN A 56 5.435 17.205 0.315 1.00 0.00 C ATOM 813 CG ASN A 56 6.027 18.335 -0.504 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.872 19.090 -0.023 1.00 0.00 O ATOM 815 ND2 ASN A 56 5.583 18.458 -1.750 1.00 0.00 N ATOM 0 H ASN A 56 6.039 15.972 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 56 7.186 16.087 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.433 16.981 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.332 17.526 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.944 19.201 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.882 17.810 -2.108 1.00 0.00 H new ATOM 822 N TYR A 57 5.949 13.549 0.515 1.00 0.00 N ATOM 823 CA TYR A 57 5.292 12.342 1.001 1.00 0.00 C ATOM 824 C TYR A 57 6.276 11.178 1.075 1.00 0.00 C ATOM 825 O TYR A 57 7.212 11.090 0.280 1.00 0.00 O ATOM 826 CB TYR A 57 4.117 11.974 0.093 1.00 0.00 C ATOM 827 CG TYR A 57 2.889 12.827 0.317 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.758 14.066 -0.297 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.859 12.393 1.144 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.638 14.849 -0.094 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.735 13.168 1.351 1.00 0.00 C ATOM 832 CZ TYR A 57 0.629 14.396 0.730 1.00 0.00 C ATOM 833 OH TYR A 57 -0.489 15.171 0.935 1.00 0.00 O ATOM 0 H TYR A 57 6.757 13.377 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 57 4.918 12.542 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.429 12.067 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.857 10.928 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.545 14.423 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.939 11.433 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.553 15.811 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.057 12.815 1.995 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.103 14.706 1.540 1.00 0.00 H new ATOM 843 N LEU A 58 6.056 10.286 2.035 1.00 0.00 N ATOM 844 CA LEU A 58 6.922 9.126 2.214 1.00 0.00 C ATOM 845 C LEU A 58 6.395 7.927 1.432 1.00 0.00 C ATOM 846 O LEU A 58 5.186 7.703 1.359 1.00 0.00 O ATOM 847 CB LEU A 58 7.034 8.772 3.698 1.00 0.00 C ATOM 848 CG LEU A 58 7.589 9.867 4.609 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.415 9.485 6.070 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.055 10.129 4.295 1.00 0.00 C ATOM 0 H LEU A 58 5.286 10.344 2.701 1.00 0.00 H new ATOM 0 HA LEU A 58 7.911 9.380 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.044 8.493 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.669 7.891 3.794 1.00 0.00 H new ATOM 0 HG LEU A 58 7.029 10.784 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.816 10.276 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.356 9.349 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.949 8.556 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.434 10.911 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.629 9.215 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.153 10.448 3.257 1.00 0.00 H new ATOM 862 N PHE A 59 7.309 7.159 0.849 1.00 0.00 N ATOM 863 CA PHE A 59 6.936 5.982 0.073 1.00 0.00 C ATOM 864 C PHE A 59 7.557 4.720 0.667 1.00 0.00 C ATOM 865 O PHE A 59 8.695 4.368 0.352 1.00 0.00 O ATOM 866 CB PHE A 59 7.377 6.144 -1.383 1.00 0.00 C ATOM 867 CG PHE A 59 6.426 6.962 -2.209 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.094 8.253 -1.832 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.866 6.440 -3.364 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.218 9.007 -2.590 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.990 7.190 -4.127 1.00 0.00 C ATOM 872 CZ PHE A 59 4.667 8.476 -3.739 1.00 0.00 C ATOM 0 H PHE A 59 8.313 7.330 0.899 1.00 0.00 H new ATOM 0 HA PHE A 59 5.851 5.883 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.361 6.612 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.482 5.158 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.524 8.675 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.117 5.436 -3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.965 10.011 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.559 6.771 -5.024 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.984 9.065 -4.334 1.00 0.00 H new ATOM 882 N HIS A 60 6.802 4.045 1.527 1.00 0.00 N ATOM 883 CA HIS A 60 7.277 2.822 2.165 1.00 0.00 C ATOM 884 C HIS A 60 6.755 1.589 1.434 1.00 0.00 C ATOM 885 O HIS A 60 5.546 1.367 1.358 1.00 0.00 O ATOM 886 CB HIS A 60 6.841 2.784 3.630 1.00 0.00 C ATOM 887 CG HIS A 60 7.120 4.055 4.371 1.00 0.00 C ATOM 888 ND1 HIS A 60 6.291 5.050 4.766 1.00 0.00 N flip ATOM 889 CD2 HIS A 60 8.381 4.421 4.791 1.00 0.00 C flip ATOM 890 CE1 HIS A 60 7.058 5.988 5.411 1.00 0.00 C flip ATOM 891 NE2 HIS A 60 8.316 5.585 5.413 1.00 0.00 N flip ATOM 0 H HIS A 60 5.859 4.324 1.798 1.00 0.00 H new ATOM 0 HA HIS A 60 8.366 2.816 2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.773 2.573 3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.351 1.961 4.131 1.00 0.00 H new ATOM 0 HD1 HIS A 60 5.284 5.094 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.282 3.846 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.692 6.906 5.846 1.00 0.00 H new ATOM 900 N TYR A 61 7.672 0.792 0.898 1.00 0.00 N ATOM 901 CA TYR A 61 7.304 -0.416 0.170 1.00 0.00 C ATOM 902 C TYR A 61 7.879 -1.657 0.847 1.00 0.00 C ATOM 903 O TYR A 61 9.062 -1.698 1.188 1.00 0.00 O ATOM 904 CB TYR A 61 7.795 -0.336 -1.276 1.00 0.00 C ATOM 905 CG TYR A 61 9.199 -0.864 -1.468 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.454 -2.229 -1.477 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.270 0.004 -1.643 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.735 -2.715 -1.652 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.555 -0.473 -1.820 1.00 0.00 C ATOM 910 CZ TYR A 61 11.782 -1.833 -1.823 1.00 0.00 C ATOM 911 OH TYR A 61 13.060 -2.314 -1.999 1.00 0.00 O ATOM 0 H TYR A 61 8.676 0.961 0.954 1.00 0.00 H new ATOM 0 HA TYR A 61 6.217 -0.494 0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.114 -0.899 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.758 0.702 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.637 -2.922 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.095 1.070 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.916 -3.780 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.376 0.215 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 61 13.166 -3.151 -1.501 1.00 0.00 H new ATOM 921 N ILE A 62 7.035 -2.665 1.037 1.00 0.00 N ATOM 922 CA ILE A 62 7.459 -3.907 1.671 1.00 0.00 C ATOM 923 C ILE A 62 7.398 -5.073 0.691 1.00 0.00 C ATOM 924 O ILE A 62 6.362 -5.324 0.072 1.00 0.00 O ATOM 925 CB ILE A 62 6.591 -4.237 2.900 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.662 -3.101 3.922 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.037 -5.550 3.526 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.818 -3.343 5.154 1.00 0.00 C ATOM 0 H ILE A 62 6.053 -2.646 0.761 1.00 0.00 H new ATOM 0 HA ILE A 62 8.490 -3.761 1.994 1.00 0.00 H new ATOM 0 HB ILE A 62 5.556 -4.345 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.700 -2.959 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.339 -2.175 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.414 -5.770 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.939 -6.353 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.078 -5.469 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.917 -2.497 5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.773 -3.455 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.155 -4.252 5.653 1.00 0.00 H new ATOM 940 N CYS A 63 8.512 -5.784 0.555 1.00 0.00 N ATOM 941 CA CYS A 63 8.585 -6.925 -0.350 1.00 0.00 C ATOM 942 C CYS A 63 8.380 -8.233 0.408 1.00 0.00 C ATOM 943 O CYS A 63 9.036 -8.486 1.417 1.00 0.00 O ATOM 944 CB CYS A 63 9.933 -6.946 -1.071 1.00 0.00 C ATOM 945 SG CYS A 63 9.877 -7.679 -2.723 1.00 0.00 S ATOM 0 H CYS A 63 9.377 -5.590 1.060 1.00 0.00 H new ATOM 0 HA CYS A 63 7.789 -6.824 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.306 -5.925 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.649 -7.500 -0.464 1.00 0.00 H new ATOM 0 HG CYS A 63 11.088 -7.889 -3.146 1.00 0.00 H new ATOM 951 N GLN A 64 7.463 -9.060 -0.087 1.00 0.00 N ATOM 952 CA GLN A 64 7.170 -10.341 0.545 1.00 0.00 C ATOM 953 C GLN A 64 6.481 -11.285 -0.433 1.00 0.00 C ATOM 954 O GLN A 64 5.433 -10.959 -0.993 1.00 0.00 O ATOM 955 CB GLN A 64 6.291 -10.135 1.780 1.00 0.00 C ATOM 956 CG GLN A 64 6.026 -11.413 2.559 1.00 0.00 C ATOM 957 CD GLN A 64 5.647 -11.149 4.002 1.00 0.00 C ATOM 958 OE1 GLN A 64 6.476 -10.725 4.807 1.00 0.00 O ATOM 959 NE2 GLN A 64 4.387 -11.399 4.338 1.00 0.00 N ATOM 0 H GLN A 64 6.911 -8.865 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 64 8.114 -10.791 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.769 -9.410 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.339 -9.704 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.225 -11.971 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.915 -12.042 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.733 -11.750 3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.073 -11.240 5.296 1.00 0.00 H new ATOM 968 N ASP A 65 7.074 -12.456 -0.635 1.00 0.00 N ATOM 969 CA ASP A 65 6.517 -13.449 -1.546 1.00 0.00 C ATOM 970 C ASP A 65 6.322 -12.860 -2.940 1.00 0.00 C ATOM 971 O ASP A 65 5.320 -13.127 -3.603 1.00 0.00 O ATOM 972 CB ASP A 65 5.183 -13.973 -1.010 1.00 0.00 C ATOM 973 CG ASP A 65 5.358 -15.163 -0.087 1.00 0.00 C ATOM 974 OD1 ASP A 65 6.018 -15.007 0.962 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.835 -16.249 -0.413 1.00 0.00 O ATOM 0 H ASP A 65 7.941 -12.741 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 65 7.223 -14.277 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.671 -13.174 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.545 -14.256 -1.847 1.00 0.00 H new ATOM 980 N ARG A 66 7.286 -12.056 -3.377 1.00 0.00 N ATOM 981 CA ARG A 66 7.220 -11.427 -4.690 1.00 0.00 C ATOM 982 C ARG A 66 6.092 -10.401 -4.745 1.00 0.00 C ATOM 983 O ARG A 66 5.541 -10.127 -5.812 1.00 0.00 O ATOM 984 CB ARG A 66 7.015 -12.485 -5.776 1.00 0.00 C ATOM 985 CG ARG A 66 8.018 -13.625 -5.712 1.00 0.00 C ATOM 986 CD ARG A 66 9.254 -13.329 -6.547 1.00 0.00 C ATOM 987 NE ARG A 66 10.446 -13.980 -6.012 1.00 0.00 N ATOM 988 CZ ARG A 66 11.550 -14.190 -6.720 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.612 -13.802 -7.987 1.00 0.00 N ATOM 990 NH2 ARG A 66 12.594 -14.790 -6.162 1.00 0.00 N ATOM 0 H ARG A 66 8.122 -11.825 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 66 8.165 -10.913 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.008 -12.893 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.082 -12.008 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.310 -13.796 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.550 -14.543 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.088 -13.663 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.416 -12.252 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 66 10.430 -14.291 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.811 -13.341 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.461 -13.964 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.549 -15.091 -5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.441 -14.951 -6.707 1.00 0.00 H new ATOM 1004 N ILE A 67 5.754 -9.839 -3.590 1.00 0.00 N ATOM 1005 CA ILE A 67 4.692 -8.843 -3.507 1.00 0.00 C ATOM 1006 C ILE A 67 5.195 -7.555 -2.865 1.00 0.00 C ATOM 1007 O ILE A 67 5.880 -7.584 -1.842 1.00 0.00 O ATOM 1008 CB ILE A 67 3.489 -9.369 -2.702 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.285 -10.863 -2.965 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.232 -8.588 -3.056 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.806 -11.170 -4.366 1.00 0.00 C ATOM 0 H ILE A 67 6.200 -10.056 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 67 4.373 -8.636 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 67 3.693 -9.230 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.225 -11.386 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.563 -11.254 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.391 -8.972 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.381 -7.534 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.023 -8.698 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.683 -12.247 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.851 -10.675 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.538 -10.809 -5.088 1.00 0.00 H new ATOM 1023 N VAL A 68 4.849 -6.424 -3.471 1.00 0.00 N ATOM 1024 CA VAL A 68 5.262 -5.123 -2.957 1.00 0.00 C ATOM 1025 C VAL A 68 4.065 -4.324 -2.457 1.00 0.00 C ATOM 1026 O VAL A 68 3.063 -4.183 -3.159 1.00 0.00 O ATOM 1027 CB VAL A 68 6.000 -4.304 -4.032 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.387 -2.936 -3.490 1.00 0.00 C ATOM 1029 CG2 VAL A 68 7.227 -5.056 -4.527 1.00 0.00 C ATOM 0 H VAL A 68 4.283 -6.382 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 68 5.941 -5.312 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 68 5.327 -4.157 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.907 -2.372 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.489 -2.396 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.042 -3.058 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.736 -4.462 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.905 -5.236 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.920 -6.009 -4.957 1.00 0.00 H new ATOM 1039 N TYR A 69 4.175 -3.802 -1.241 1.00 0.00 N ATOM 1040 CA TYR A 69 3.100 -3.017 -0.646 1.00 0.00 C ATOM 1041 C TYR A 69 3.528 -1.565 -0.452 1.00 0.00 C ATOM 1042 O TYR A 69 4.180 -1.224 0.536 1.00 0.00 O ATOM 1043 CB TYR A 69 2.683 -3.621 0.697 1.00 0.00 C ATOM 1044 CG TYR A 69 2.210 -5.053 0.595 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.113 -6.091 0.403 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.861 -5.369 0.692 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.686 -7.402 0.309 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.425 -6.676 0.601 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.341 -7.689 0.409 1.00 0.00 C ATOM 1050 OH TYR A 69 0.910 -8.993 0.316 1.00 0.00 O ATOM 0 H TYR A 69 4.998 -3.908 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 69 2.249 -3.038 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.527 -3.574 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.887 -3.014 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.167 -5.870 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.140 -4.579 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.401 -8.197 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.628 -6.904 0.680 1.00 0.00 H new ATOM 0 HH TYR A 69 0.081 -9.027 -0.206 1.00 0.00 H new ATOM 1060 N LEU A 70 3.156 -0.714 -1.402 1.00 0.00 N ATOM 1061 CA LEU A 70 3.500 0.702 -1.338 1.00 0.00 C ATOM 1062 C LEU A 70 2.365 1.510 -0.718 1.00 0.00 C ATOM 1063 O LEU A 70 1.189 1.217 -0.937 1.00 0.00 O ATOM 1064 CB LEU A 70 3.816 1.234 -2.737 1.00 0.00 C ATOM 1065 CG LEU A 70 4.485 2.608 -2.797 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.373 2.716 -4.026 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.437 3.712 -2.795 1.00 0.00 C ATOM 0 H LEU A 70 2.616 -0.980 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 70 4.383 0.808 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.463 0.515 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.887 1.279 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 70 5.110 2.726 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.840 3.700 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.146 1.948 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.770 2.577 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.931 4.683 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.786 3.597 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.842 3.648 -1.884 1.00 0.00 H new ATOM 1079 N CYS A 71 2.724 2.529 0.055 1.00 0.00 N ATOM 1080 CA CYS A 71 1.735 3.381 0.705 1.00 0.00 C ATOM 1081 C CYS A 71 2.270 4.799 0.880 1.00 0.00 C ATOM 1082 O CYS A 71 3.421 4.995 1.270 1.00 0.00 O ATOM 1083 CB CYS A 71 1.346 2.799 2.065 1.00 0.00 C ATOM 1084 SG CYS A 71 2.618 2.979 3.337 1.00 0.00 S ATOM 0 H CYS A 71 3.693 2.785 0.247 1.00 0.00 H new ATOM 0 HA CYS A 71 0.851 3.421 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.433 3.285 2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.117 1.740 1.943 1.00 0.00 H new ATOM 0 HG CYS A 71 3.465 3.897 2.976 1.00 0.00 H new ATOM 1090 N ILE A 72 1.427 5.784 0.587 1.00 0.00 N ATOM 1091 CA ILE A 72 1.816 7.183 0.711 1.00 0.00 C ATOM 1092 C ILE A 72 1.341 7.770 2.035 1.00 0.00 C ATOM 1093 O ILE A 72 0.156 7.709 2.366 1.00 0.00 O ATOM 1094 CB ILE A 72 1.250 8.029 -0.445 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.909 7.631 -1.768 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.457 9.511 -0.168 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.274 6.423 -2.420 1.00 0.00 C ATOM 0 H ILE A 72 0.471 5.639 0.262 1.00 0.00 H new ATOM 0 HA ILE A 72 2.905 7.212 0.673 1.00 0.00 H new ATOM 0 HB ILE A 72 0.179 7.840 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.859 8.474 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.965 7.425 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.052 10.096 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.945 9.784 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.523 9.717 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.792 6.199 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.347 5.567 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.225 6.632 -2.629 1.00 0.00 H new ATOM 1109 N THR A 73 2.273 8.341 2.792 1.00 0.00 N ATOM 1110 CA THR A 73 1.951 8.941 4.080 1.00 0.00 C ATOM 1111 C THR A 73 2.633 10.294 4.244 1.00 0.00 C ATOM 1112 O THR A 73 3.557 10.628 3.502 1.00 0.00 O ATOM 1113 CB THR A 73 2.368 8.024 5.246 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.775 7.767 5.188 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.604 6.709 5.201 1.00 0.00 C ATOM 0 H THR A 73 3.258 8.400 2.534 1.00 0.00 H new ATOM 0 HA THR A 73 0.870 9.078 4.103 1.00 0.00 H new ATOM 0 HB THR A 73 2.130 8.531 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.032 7.185 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.915 6.079 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.535 6.907 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.814 6.198 4.261 1.00 0.00 H new ATOM 1123 N ASP A 74 2.172 11.070 5.219 1.00 0.00 N ATOM 1124 CA ASP A 74 2.740 12.387 5.481 1.00 0.00 C ATOM 1125 C ASP A 74 4.103 12.267 6.154 1.00 0.00 C ATOM 1126 O ASP A 74 4.297 11.437 7.042 1.00 0.00 O ATOM 1127 CB ASP A 74 1.794 13.208 6.358 1.00 0.00 C ATOM 1128 CG ASP A 74 2.102 14.692 6.311 1.00 0.00 C ATOM 1129 OD1 ASP A 74 1.715 15.348 5.321 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.730 15.198 7.265 1.00 0.00 O ATOM 0 H ASP A 74 1.407 10.810 5.841 1.00 0.00 H new ATOM 0 HA ASP A 74 2.871 12.896 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.767 13.043 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.863 12.858 7.388 1.00 0.00 H new ATOM 1135 N ASP A 75 5.045 13.101 5.725 1.00 0.00 N ATOM 1136 CA ASP A 75 6.391 13.089 6.287 1.00 0.00 C ATOM 1137 C ASP A 75 6.343 13.031 7.811 1.00 0.00 C ATOM 1138 O ASP A 75 7.069 12.257 8.435 1.00 0.00 O ATOM 1139 CB ASP A 75 7.166 14.327 5.834 1.00 0.00 C ATOM 1140 CG ASP A 75 6.762 15.573 6.597 1.00 0.00 C ATOM 1141 OD1 ASP A 75 7.343 15.825 7.674 1.00 0.00 O ATOM 1142 OD2 ASP A 75 5.866 16.298 6.116 1.00 0.00 O ATOM 0 H ASP A 75 4.901 13.794 4.990 1.00 0.00 H new ATOM 0 HA ASP A 75 6.903 12.197 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.234 14.153 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.000 14.487 4.769 1.00 0.00 H new ATOM 1147 N ASP A 76 5.486 13.856 8.402 1.00 0.00 N ATOM 1148 CA ASP A 76 5.344 13.899 9.853 1.00 0.00 C ATOM 1149 C ASP A 76 4.972 12.526 10.404 1.00 0.00 C ATOM 1150 O ASP A 76 5.419 12.137 11.483 1.00 0.00 O ATOM 1151 CB ASP A 76 4.284 14.927 10.252 1.00 0.00 C ATOM 1152 CG ASP A 76 3.812 14.747 11.681 1.00 0.00 C ATOM 1153 OD1 ASP A 76 3.048 13.793 11.938 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.206 15.560 12.544 1.00 0.00 O ATOM 0 H ASP A 76 4.879 14.504 7.899 1.00 0.00 H new ATOM 0 HA ASP A 76 6.303 14.193 10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.692 15.931 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.431 14.846 9.578 1.00 0.00 H new ATOM 1159 N PHE A 77 4.150 11.797 9.656 1.00 0.00 N ATOM 1160 CA PHE A 77 3.715 10.468 10.070 1.00 0.00 C ATOM 1161 C PHE A 77 4.900 9.633 10.548 1.00 0.00 C ATOM 1162 O PHE A 77 6.010 9.761 10.032 1.00 0.00 O ATOM 1163 CB PHE A 77 3.008 9.757 8.915 1.00 0.00 C ATOM 1164 CG PHE A 77 2.079 8.664 9.363 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.894 8.967 10.014 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.392 7.334 9.133 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.038 7.965 10.427 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.539 6.327 9.544 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.361 6.643 10.193 1.00 0.00 C ATOM 0 H PHE A 77 3.772 12.104 8.760 1.00 0.00 H new ATOM 0 HA PHE A 77 3.016 10.583 10.898 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.443 10.490 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.757 9.334 8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.637 9.999 10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.312 7.081 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.883 8.215 10.932 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.793 5.294 9.358 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.306 5.858 10.517 1.00 0.00 H new ATOM 1179 N GLU A 78 4.654 8.780 11.537 1.00 0.00 N ATOM 1180 CA GLU A 78 5.701 7.925 12.085 1.00 0.00 C ATOM 1181 C GLU A 78 5.917 6.698 11.204 1.00 0.00 C ATOM 1182 O GLU A 78 4.994 6.225 10.542 1.00 0.00 O ATOM 1183 CB GLU A 78 5.341 7.489 13.507 1.00 0.00 C ATOM 1184 CG GLU A 78 6.522 6.947 14.294 1.00 0.00 C ATOM 1185 CD GLU A 78 7.449 8.043 14.784 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.004 8.871 15.606 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.618 8.073 14.346 1.00 0.00 O ATOM 0 H GLU A 78 3.740 8.662 11.975 1.00 0.00 H new ATOM 0 HA GLU A 78 6.627 8.499 12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.917 8.339 14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.566 6.724 13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.154 6.378 15.148 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.084 6.254 13.668 1.00 0.00 H new ATOM 1194 N ARG A 79 7.145 6.188 11.202 1.00 0.00 N ATOM 1195 CA ARG A 79 7.484 5.017 10.402 1.00 0.00 C ATOM 1196 C ARG A 79 6.792 3.770 10.943 1.00 0.00 C ATOM 1197 O ARG A 79 6.235 2.978 10.183 1.00 0.00 O ATOM 1198 CB ARG A 79 8.999 4.806 10.385 1.00 0.00 C ATOM 1199 CG ARG A 79 9.759 5.904 9.658 1.00 0.00 C ATOM 1200 CD ARG A 79 9.634 5.761 8.149 1.00 0.00 C ATOM 1201 NE ARG A 79 10.689 6.483 7.442 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.977 6.170 7.526 1.00 0.00 C ATOM 1203 NH1 ARG A 79 12.368 5.153 8.281 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.878 6.875 6.852 1.00 0.00 N ATOM 0 H ARG A 79 7.921 6.567 11.745 1.00 0.00 H new ATOM 0 HA ARG A 79 7.137 5.191 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.360 4.744 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.219 3.849 9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.377 6.878 9.965 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.811 5.870 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.674 4.705 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.661 6.135 7.829 1.00 0.00 H new ATOM 0 HE ARG A 79 10.422 7.271 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.679 4.608 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.358 4.915 8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.581 7.658 6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.867 6.634 6.917 1.00 0.00 H new ATOM 1218 N SER A 80 6.833 3.601 12.261 1.00 0.00 N ATOM 1219 CA SER A 80 6.214 2.448 12.903 1.00 0.00 C ATOM 1220 C SER A 80 4.772 2.275 12.436 1.00 0.00 C ATOM 1221 O SER A 80 4.408 1.239 11.879 1.00 0.00 O ATOM 1222 CB SER A 80 6.253 2.603 14.425 1.00 0.00 C ATOM 1223 OG SER A 80 7.571 2.861 14.877 1.00 0.00 O ATOM 0 H SER A 80 7.288 4.248 12.905 1.00 0.00 H new ATOM 0 HA SER A 80 6.779 1.560 12.620 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.595 3.418 14.728 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.875 1.696 14.896 1.00 0.00 H new ATOM 0 HG SER A 80 7.569 2.958 15.852 1.00 0.00 H new ATOM 1229 N ARG A 81 3.954 3.297 12.668 1.00 0.00 N ATOM 1230 CA ARG A 81 2.552 3.259 12.272 1.00 0.00 C ATOM 1231 C ARG A 81 2.409 2.830 10.814 1.00 0.00 C ATOM 1232 O ARG A 81 1.701 1.872 10.505 1.00 0.00 O ATOM 1233 CB ARG A 81 1.904 4.629 12.477 1.00 0.00 C ATOM 1234 CG ARG A 81 1.296 4.815 13.857 1.00 0.00 C ATOM 1235 CD ARG A 81 2.306 5.390 14.838 1.00 0.00 C ATOM 1236 NE ARG A 81 1.864 5.251 16.223 1.00 0.00 N ATOM 1237 CZ ARG A 81 2.036 4.148 16.943 1.00 0.00 C ATOM 1238 NH1 ARG A 81 2.638 3.093 16.411 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.606 4.099 18.197 1.00 0.00 N ATOM 0 H ARG A 81 4.239 4.161 13.128 1.00 0.00 H new ATOM 0 HA ARG A 81 2.044 2.527 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.653 5.404 12.312 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.128 4.770 11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.434 5.479 13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.932 3.857 14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.263 4.885 14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.470 6.444 14.614 1.00 0.00 H new ATOM 0 HE ARG A 81 1.397 6.045 16.662 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.970 3.127 15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.769 2.247 16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.143 4.909 18.609 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.739 3.252 18.749 1.00 0.00 H new ATOM 1253 N ALA A 82 3.087 3.546 9.923 1.00 0.00 N ATOM 1254 CA ALA A 82 3.038 3.239 8.499 1.00 0.00 C ATOM 1255 C ALA A 82 3.327 1.763 8.246 1.00 0.00 C ATOM 1256 O ALA A 82 2.467 1.026 7.762 1.00 0.00 O ATOM 1257 CB ALA A 82 4.024 4.111 7.737 1.00 0.00 C ATOM 0 H ALA A 82 3.677 4.343 10.162 1.00 0.00 H new ATOM 0 HA ALA A 82 2.031 3.451 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.977 3.871 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.770 5.161 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.033 3.927 8.106 1.00 0.00 H new ATOM 1263 N PHE A 83 4.543 1.338 8.574 1.00 0.00 N ATOM 1264 CA PHE A 83 4.946 -0.050 8.380 1.00 0.00 C ATOM 1265 C PHE A 83 3.970 -1.000 9.067 1.00 0.00 C ATOM 1266 O PHE A 83 3.727 -2.109 8.591 1.00 0.00 O ATOM 1267 CB PHE A 83 6.359 -0.273 8.920 1.00 0.00 C ATOM 1268 CG PHE A 83 7.440 0.092 7.942 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.468 -0.474 6.678 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.426 1.002 8.287 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.461 -0.140 5.777 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.422 1.340 7.390 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.439 0.769 6.133 1.00 0.00 C ATOM 0 H PHE A 83 5.266 1.935 8.975 1.00 0.00 H new ATOM 0 HA PHE A 83 4.937 -0.259 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.489 0.315 9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.471 -1.321 9.199 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.705 -1.184 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.416 1.453 9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.473 -0.589 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.186 2.050 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.215 1.032 5.430 1.00 0.00 H new ATOM 1283 N ASN A 84 3.415 -0.558 10.191 1.00 0.00 N ATOM 1284 CA ASN A 84 2.466 -1.370 10.945 1.00 0.00 C ATOM 1285 C ASN A 84 1.250 -1.719 10.093 1.00 0.00 C ATOM 1286 O ASN A 84 0.982 -2.890 9.826 1.00 0.00 O ATOM 1287 CB ASN A 84 2.022 -0.629 12.209 1.00 0.00 C ATOM 1288 CG ASN A 84 1.212 -1.510 13.140 1.00 0.00 C ATOM 1289 OD1 ASN A 84 1.472 -2.707 13.264 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.222 -0.920 13.800 1.00 0.00 N ATOM 0 H ASN A 84 3.606 0.357 10.600 1.00 0.00 H new ATOM 0 HA ASN A 84 2.964 -2.296 11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.900 -0.258 12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.428 0.241 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.358 -1.462 14.440 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.042 0.075 13.667 1.00 0.00 H new ATOM 1297 N PHE A 85 0.518 -0.694 9.668 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.670 -0.892 8.847 1.00 0.00 C ATOM 1299 C PHE A 85 -0.363 -1.793 7.654 1.00 0.00 C ATOM 1300 O PHE A 85 -1.096 -2.742 7.373 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.208 0.454 8.357 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.131 0.338 7.178 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.490 0.141 7.363 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.640 0.427 5.886 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.342 0.033 6.280 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.487 0.321 4.799 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.840 0.124 4.996 1.00 0.00 C ATOM 0 H PHE A 85 0.727 0.282 9.879 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.428 -1.377 9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.736 0.944 9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.369 1.096 8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.888 0.071 8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.583 0.581 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.399 -0.122 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.091 0.392 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.504 0.041 4.148 1.00 0.00 H new ATOM 1317 N LEU A 86 0.726 -1.490 6.957 1.00 0.00 N ATOM 1318 CA LEU A 86 1.132 -2.272 5.794 1.00 0.00 C ATOM 1319 C LEU A 86 1.220 -3.755 6.138 1.00 0.00 C ATOM 1320 O LEU A 86 0.700 -4.602 5.414 1.00 0.00 O ATOM 1321 CB LEU A 86 2.481 -1.778 5.268 1.00 0.00 C ATOM 1322 CG LEU A 86 2.435 -0.569 4.333 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.838 -0.178 3.895 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.559 -0.863 3.124 1.00 0.00 C ATOM 0 H LEU A 86 1.344 -0.709 7.176 1.00 0.00 H new ATOM 0 HA LEU A 86 0.377 -2.142 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.112 -1.528 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.967 -2.600 4.742 1.00 0.00 H new ATOM 0 HG LEU A 86 2.000 0.270 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.785 0.684 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.435 0.076 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.301 -1.013 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.538 0.008 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.964 -1.716 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.546 -1.092 3.456 1.00 0.00 H new ATOM 1336 N ASN A 87 1.881 -4.061 7.250 1.00 0.00 N ATOM 1337 CA ASN A 87 2.036 -5.442 7.692 1.00 0.00 C ATOM 1338 C ASN A 87 0.677 -6.089 7.941 1.00 0.00 C ATOM 1339 O ASN A 87 0.459 -7.249 7.593 1.00 0.00 O ATOM 1340 CB ASN A 87 2.882 -5.500 8.965 1.00 0.00 C ATOM 1341 CG ASN A 87 3.564 -6.843 9.146 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.008 -7.885 8.800 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.775 -6.823 9.690 1.00 0.00 N ATOM 0 H ASN A 87 2.318 -3.371 7.861 1.00 0.00 H new ATOM 0 HA ASN A 87 2.543 -5.996 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.636 -4.714 8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.248 -5.298 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.283 -7.695 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.197 -5.935 9.962 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.232 -5.330 8.545 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.569 -5.830 8.840 1.00 0.00 C ATOM 1352 C GLU A 88 -2.257 -6.328 7.571 1.00 0.00 C ATOM 1353 O GLU A 88 -2.489 -7.526 7.408 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.414 -4.736 9.495 1.00 0.00 C ATOM 1355 CG GLU A 88 -2.288 -4.694 11.009 1.00 0.00 C ATOM 1356 CD GLU A 88 -0.845 -4.675 11.474 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -0.159 -5.708 11.323 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -0.402 -3.627 11.988 1.00 0.00 O ATOM 0 H GLU A 88 -0.067 -4.367 8.839 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.471 -6.667 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.120 -3.769 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.460 -4.889 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.800 -3.809 11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.792 -5.561 11.436 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.579 -5.399 6.677 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.239 -5.742 5.424 1.00 0.00 C ATOM 1367 C ILE A 89 -2.366 -6.663 4.578 1.00 0.00 C ATOM 1368 O ILE A 89 -2.869 -7.539 3.874 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.583 -4.483 4.606 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.354 -3.581 4.477 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.735 -3.730 5.252 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.577 -2.380 3.585 1.00 0.00 C ATOM 0 H ILE A 89 -2.393 -4.403 6.797 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.163 -6.259 5.684 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.891 -4.790 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.060 -3.237 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.523 -4.167 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.966 -2.843 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.612 -4.375 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.454 -3.431 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.664 -1.786 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.841 -2.716 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.386 -1.772 3.989 1.00 0.00 H new ATOM 1384 N LYS A 90 -1.056 -6.458 4.651 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.111 -7.271 3.895 1.00 0.00 C ATOM 1386 C LYS A 90 -0.316 -8.755 4.184 1.00 0.00 C ATOM 1387 O LYS A 90 -0.504 -9.556 3.268 1.00 0.00 O ATOM 1388 CB LYS A 90 1.326 -6.869 4.234 1.00 0.00 C ATOM 1389 CG LYS A 90 2.372 -7.824 3.686 1.00 0.00 C ATOM 1390 CD LYS A 90 3.777 -7.396 4.074 1.00 0.00 C ATOM 1391 CE LYS A 90 4.167 -7.936 5.442 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.279 -7.155 6.050 1.00 0.00 N ATOM 0 H LYS A 90 -0.624 -5.735 5.226 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.290 -7.097 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.517 -5.870 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.432 -6.811 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.180 -8.829 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.291 -7.869 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.486 -7.751 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.838 -6.308 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.301 -7.910 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.465 -8.980 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.347 -7.379 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.173 -7.401 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.094 -6.138 5.932 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.279 -9.114 5.462 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.464 -10.501 5.873 1.00 0.00 C ATOM 1408 C LYS A 91 -1.854 -11.000 5.494 1.00 0.00 C ATOM 1409 O LYS A 91 -2.010 -12.119 5.003 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.255 -10.639 7.383 1.00 0.00 C ATOM 1411 CG LYS A 91 1.179 -10.956 7.772 1.00 0.00 C ATOM 1412 CD LYS A 91 1.391 -12.450 7.949 1.00 0.00 C ATOM 1413 CE LYS A 91 1.902 -13.096 6.670 1.00 0.00 C ATOM 1414 NZ LYS A 91 1.652 -14.564 6.651 1.00 0.00 N ATOM 0 H LYS A 91 -0.122 -8.464 6.232 1.00 0.00 H new ATOM 0 HA LYS A 91 0.275 -11.110 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.558 -9.712 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.908 -11.426 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.857 -10.580 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.428 -10.440 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.103 -12.624 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.453 -12.919 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.416 -12.634 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.971 -12.908 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.015 -14.966 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.136 -15.009 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.630 -14.743 6.720 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.861 -10.164 5.724 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.238 -10.521 5.406 1.00 0.00 C ATOM 1430 C ARG A 92 -4.363 -10.967 3.952 1.00 0.00 C ATOM 1431 O ARG A 92 -5.126 -11.879 3.634 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.169 -9.336 5.668 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.730 -9.303 7.081 1.00 0.00 C ATOM 1434 CD ARG A 92 -7.076 -8.598 7.129 1.00 0.00 C ATOM 1435 NE ARG A 92 -8.187 -9.522 6.918 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.720 -10.263 7.883 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.248 -10.187 9.119 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.729 -11.081 7.612 1.00 0.00 N ATOM 0 H ARG A 92 -2.749 -9.235 6.129 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.528 -11.352 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.626 -8.410 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.996 -9.371 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.838 -10.321 7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.028 -8.794 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.193 -8.106 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.104 -7.818 6.368 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.575 -9.603 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.473 -9.558 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.659 -10.757 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.096 -11.141 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.138 -11.650 8.354 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.608 -10.316 3.072 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.634 -10.643 1.652 1.00 0.00 C ATOM 1454 C PHE A 93 -2.918 -11.964 1.384 1.00 0.00 C ATOM 1455 O PHE A 93 -3.403 -12.801 0.623 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.984 -9.524 0.836 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.055 -9.744 -0.648 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.213 -9.453 -1.351 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -1.963 -10.244 -1.340 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.281 -9.654 -2.716 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.025 -10.447 -2.706 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.186 -10.153 -3.394 1.00 0.00 C ATOM 0 H PHE A 93 -2.971 -9.559 3.318 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.676 -10.746 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.470 -8.579 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.939 -9.430 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.073 -9.064 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.054 -10.478 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.189 -9.421 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.167 -10.835 -3.235 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.238 -10.313 -4.461 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.763 -12.142 2.017 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.980 -13.360 1.846 1.00 0.00 C ATOM 1474 C GLN A 94 -1.605 -14.521 2.613 1.00 0.00 C ATOM 1475 O GLN A 94 -1.322 -15.687 2.335 1.00 0.00 O ATOM 1476 CB GLN A 94 0.458 -13.137 2.318 1.00 0.00 C ATOM 1477 CG GLN A 94 1.089 -11.867 1.770 1.00 0.00 C ATOM 1478 CD GLN A 94 2.590 -11.987 1.601 1.00 0.00 C ATOM 1479 OE1 GLN A 94 3.222 -12.875 2.175 1.00 0.00 O ATOM 1480 NE2 GLN A 94 3.171 -11.091 0.811 1.00 0.00 N ATOM 0 H GLN A 94 -1.349 -11.459 2.652 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.972 -13.611 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.472 -13.099 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.066 -13.992 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.637 -11.627 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.868 -11.037 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.609 -10.372 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.179 -11.122 0.660 1.00 0.00 H new ATOM 1489 N THR A 95 -2.456 -14.195 3.580 1.00 0.00 N ATOM 1490 CA THR A 95 -3.120 -15.210 4.388 1.00 0.00 C ATOM 1491 C THR A 95 -4.480 -15.576 3.803 1.00 0.00 C ATOM 1492 O THR A 95 -4.908 -16.729 3.872 1.00 0.00 O ATOM 1493 CB THR A 95 -3.310 -14.736 5.841 1.00 0.00 C ATOM 1494 OG1 THR A 95 -2.051 -14.339 6.396 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.921 -15.838 6.694 1.00 0.00 C ATOM 0 H THR A 95 -2.702 -13.235 3.823 1.00 0.00 H new ATOM 0 HA THR A 95 -2.476 -16.089 4.382 1.00 0.00 H new ATOM 0 HB THR A 95 -3.989 -13.883 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.683 -13.595 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.046 -15.480 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.892 -16.117 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.263 -16.707 6.692 1.00 0.00 H new ATOM 1503 N THR A 96 -5.156 -14.588 3.226 1.00 0.00 N ATOM 1504 CA THR A 96 -6.468 -14.806 2.629 1.00 0.00 C ATOM 1505 C THR A 96 -6.361 -14.986 1.119 1.00 0.00 C ATOM 1506 O THR A 96 -6.680 -16.050 0.587 1.00 0.00 O ATOM 1507 CB THR A 96 -7.423 -13.635 2.928 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.387 -13.318 4.325 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.846 -13.979 2.518 1.00 0.00 C ATOM 0 H THR A 96 -4.817 -13.628 3.159 1.00 0.00 H new ATOM 0 HA THR A 96 -6.871 -15.716 3.074 1.00 0.00 H new ATOM 0 HB THR A 96 -7.094 -12.771 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.625 -12.729 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.502 -13.137 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.875 -14.191 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.182 -14.856 3.072 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.911 -13.941 0.433 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.764 -13.984 -1.017 1.00 0.00 C ATOM 1519 C TYR A 97 -4.301 -14.162 -1.411 1.00 0.00 C ATOM 1520 O TYR A 97 -3.850 -13.627 -2.423 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.322 -12.706 -1.645 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.614 -12.235 -1.015 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.736 -13.054 -0.989 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.711 -10.972 -0.444 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.918 -12.627 -0.415 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.888 -10.538 0.133 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.989 -11.369 0.145 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.164 -10.941 0.719 1.00 0.00 O ATOM 0 H TYR A 97 -5.642 -13.054 0.858 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.328 -14.839 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.577 -11.915 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.487 -12.876 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.683 -14.041 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.851 -10.319 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.782 -13.275 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.946 -9.553 0.573 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.854 -11.627 0.602 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.565 -14.918 -0.603 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.161 -15.154 -0.883 1.00 0.00 C ATOM 1540 C GLY A 98 -1.953 -16.079 -2.066 1.00 0.00 C ATOM 1541 O GLY A 98 -1.368 -15.687 -3.075 1.00 0.00 O ATOM 0 H GLY A 98 -3.916 -15.371 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.668 -14.202 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.685 -15.584 -0.002 1.00 0.00 H new ATOM 1545 N SER A 99 -2.432 -17.313 -1.941 1.00 0.00 N ATOM 1546 CA SER A 99 -2.291 -18.299 -3.006 1.00 0.00 C ATOM 1547 C SER A 99 -2.740 -17.721 -4.345 1.00 0.00 C ATOM 1548 O SER A 99 -2.048 -17.854 -5.354 1.00 0.00 O ATOM 1549 CB SER A 99 -3.106 -19.553 -2.680 1.00 0.00 C ATOM 1550 OG SER A 99 -2.443 -20.356 -1.719 1.00 0.00 O ATOM 0 H SER A 99 -2.921 -17.653 -1.113 1.00 0.00 H new ATOM 0 HA SER A 99 -1.237 -18.568 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.087 -19.265 -2.303 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.271 -20.130 -3.590 1.00 0.00 H new ATOM 0 HG SER A 99 -2.984 -21.150 -1.526 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.903 -17.078 -4.344 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.446 -16.480 -5.558 1.00 0.00 C ATOM 1558 C ARG A 100 -3.508 -15.406 -6.101 1.00 0.00 C ATOM 1559 O ARG A 100 -3.388 -15.227 -7.313 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.825 -15.878 -5.283 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.964 -16.874 -5.427 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.275 -16.297 -4.917 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.414 -16.447 -3.470 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.675 -17.604 -2.873 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.826 -18.707 -3.594 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -8.786 -17.660 -1.552 1.00 0.00 N ATOM 0 H ARG A 100 -4.487 -16.958 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.544 -17.265 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.838 -15.467 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.992 -15.046 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.072 -17.156 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.726 -17.783 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.332 -15.240 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.108 -16.794 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.305 -15.617 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.742 -18.668 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.026 -19.594 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.671 -16.814 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.987 -18.549 -1.094 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.847 -14.692 -5.195 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.920 -13.636 -5.583 1.00 0.00 C ATOM 1582 C ALA A 101 -0.871 -14.158 -6.560 1.00 0.00 C ATOM 1583 O ALA A 101 -0.215 -13.381 -7.252 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.249 -13.045 -4.352 1.00 0.00 C ATOM 0 H ALA A 101 -2.936 -14.826 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.489 -12.853 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.559 -12.258 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.007 -12.627 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.699 -13.826 -3.827 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.720 -15.477 -6.609 1.00 0.00 N ATOM 1591 CA GLN A 102 0.251 -16.101 -7.501 1.00 0.00 C ATOM 1592 C GLN A 102 -0.433 -16.662 -8.743 1.00 0.00 C ATOM 1593 O GLN A 102 0.178 -16.769 -9.807 1.00 0.00 O ATOM 1594 CB GLN A 102 1.002 -17.216 -6.771 1.00 0.00 C ATOM 1595 CG GLN A 102 1.606 -16.777 -5.446 1.00 0.00 C ATOM 1596 CD GLN A 102 2.627 -15.669 -5.609 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.293 -15.569 -6.641 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.757 -14.829 -4.590 1.00 0.00 N ATOM 0 H GLN A 102 -1.257 -16.134 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 102 0.963 -15.337 -7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.319 -18.046 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.796 -17.591 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.810 -16.438 -4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.078 -17.633 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.185 -14.949 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.429 -14.063 -4.643 1.00 0.00 H new ATOM 1607 N THR A 103 -1.706 -17.019 -8.602 1.00 0.00 N ATOM 1608 CA THR A 103 -2.473 -17.570 -9.712 1.00 0.00 C ATOM 1609 C THR A 103 -3.492 -16.561 -10.231 1.00 0.00 C ATOM 1610 O THR A 103 -3.393 -16.092 -11.364 1.00 0.00 O ATOM 1611 CB THR A 103 -3.208 -18.860 -9.302 1.00 0.00 C ATOM 1612 OG1 THR A 103 -4.067 -18.601 -8.186 1.00 0.00 O ATOM 1613 CG2 THR A 103 -2.217 -19.956 -8.941 1.00 0.00 C ATOM 0 H THR A 103 -2.228 -16.936 -7.729 1.00 0.00 H new ATOM 0 HA THR A 103 -1.760 -17.803 -10.503 1.00 0.00 H new ATOM 0 HB THR A 103 -3.805 -19.196 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.532 -19.426 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.759 -20.857 -8.655 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.584 -20.172 -9.801 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.597 -19.626 -8.108 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.470 -16.231 -9.393 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.505 -15.276 -9.767 1.00 0.00 C ATOM 1623 C ALA A 104 -4.943 -14.181 -10.668 1.00 0.00 C ATOM 1624 O ALA A 104 -3.818 -13.713 -10.489 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.135 -14.667 -8.523 1.00 0.00 C ATOM 0 H ALA A 104 -4.567 -16.611 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.273 -15.811 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.907 -13.955 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.581 -15.456 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.369 -14.153 -7.942 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.742 -13.762 -11.660 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.345 -12.718 -12.609 1.00 0.00 C ATOM 1633 C PRO A 105 -5.269 -11.341 -11.957 1.00 0.00 C ATOM 1634 O PRO A 105 -5.693 -11.143 -10.819 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.457 -12.751 -13.660 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.640 -13.303 -12.942 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.095 -14.276 -11.933 1.00 0.00 C ATOM 0 HA PRO A 105 -4.350 -12.895 -13.017 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.661 -11.755 -14.052 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.181 -13.377 -14.509 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.205 -12.509 -12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.320 -13.799 -13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.705 -14.302 -11.030 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.067 -15.291 -12.328 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.715 -10.367 -12.694 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.571 -8.991 -12.208 1.00 0.00 C ATOM 1647 C PRO A 106 -5.912 -8.275 -12.090 1.00 0.00 C ATOM 1648 O PRO A 106 -6.821 -8.504 -12.888 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.701 -8.326 -13.277 1.00 0.00 C ATOM 1650 CG PRO A 106 -3.949 -9.119 -14.514 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.187 -10.532 -14.059 1.00 0.00 C ATOM 0 HA PRO A 106 -4.141 -8.955 -11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.975 -7.280 -13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.647 -8.346 -12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.811 -8.734 -15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.095 -9.065 -15.190 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.897 -11.048 -14.705 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.267 -11.117 -14.066 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.029 -7.407 -11.091 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.260 -6.659 -10.868 1.00 0.00 C ATOM 1661 C TYR A 107 -8.443 -7.602 -10.675 1.00 0.00 C ATOM 1662 O TYR A 107 -9.542 -7.346 -11.167 1.00 0.00 O ATOM 1663 CB TYR A 107 -7.529 -5.718 -12.044 1.00 0.00 C ATOM 1664 CG TYR A 107 -6.740 -4.430 -11.982 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.241 -3.317 -11.318 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -5.493 -4.327 -12.586 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.523 -2.138 -11.260 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -4.768 -3.152 -12.531 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.287 -2.060 -11.867 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.569 -0.888 -11.810 1.00 0.00 O ATOM 0 H TYR A 107 -5.286 -7.204 -10.423 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.138 -6.069 -9.960 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.292 -6.235 -12.974 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -8.593 -5.482 -12.073 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.207 -3.374 -10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -5.083 -5.180 -13.107 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.928 -1.281 -10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.800 -3.089 -13.005 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.720 -1.001 -12.286 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.210 -8.694 -9.955 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.256 -9.675 -9.694 1.00 0.00 C ATOM 1682 C ALA A 108 -9.953 -9.394 -8.367 1.00 0.00 C ATOM 1683 O ALA A 108 -11.112 -8.980 -8.339 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.675 -11.081 -9.699 1.00 0.00 C ATOM 0 H ALA A 108 -7.306 -8.922 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.998 -9.598 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.468 -11.803 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.229 -11.287 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.911 -11.162 -8.926 1.00 0.00 H new ATOM 1690 N MET A 109 -9.240 -9.621 -7.269 1.00 0.00 N ATOM 1691 CA MET A 109 -9.791 -9.392 -5.939 1.00 0.00 C ATOM 1692 C MET A 109 -9.666 -7.923 -5.544 1.00 0.00 C ATOM 1693 O MET A 109 -9.264 -7.604 -4.426 1.00 0.00 O ATOM 1694 CB MET A 109 -9.079 -10.271 -4.909 1.00 0.00 C ATOM 1695 CG MET A 109 -9.314 -11.759 -5.114 1.00 0.00 C ATOM 1696 SD MET A 109 -8.126 -12.499 -6.251 1.00 0.00 S ATOM 1697 CE MET A 109 -6.630 -12.432 -5.269 1.00 0.00 C ATOM 0 H MET A 109 -8.279 -9.963 -7.274 1.00 0.00 H new ATOM 0 HA MET A 109 -10.848 -9.656 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.008 -10.071 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.416 -9.992 -3.911 1.00 0.00 H new ATOM 0 HG2 MET A 109 -9.256 -12.268 -4.152 1.00 0.00 H new ATOM 0 HG3 MET A 109 -10.323 -11.914 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.772 -12.279 -5.923 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.697 -11.607 -4.559 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.509 -13.369 -4.726 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.012 -7.035 -6.470 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.938 -5.600 -6.218 1.00 0.00 C ATOM 1709 C ASN A 110 -11.094 -5.142 -5.336 1.00 0.00 C ATOM 1710 O ASN A 110 -10.886 -4.518 -4.296 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.952 -4.829 -7.539 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.057 -3.330 -7.332 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.054 -2.833 -6.807 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -9.027 -2.602 -7.746 1.00 0.00 N ATOM 0 H ASN A 110 -10.346 -7.283 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.004 -5.395 -5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.043 -5.053 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.791 -5.169 -8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.041 -1.588 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.221 -3.056 -8.176 1.00 0.00 H new ATOM 1721 N SER A 111 -12.315 -5.456 -5.759 1.00 0.00 N ATOM 1722 CA SER A 111 -13.506 -5.074 -5.009 1.00 0.00 C ATOM 1723 C SER A 111 -13.420 -5.563 -3.566 1.00 0.00 C ATOM 1724 O SER A 111 -13.468 -4.770 -2.627 1.00 0.00 O ATOM 1725 CB SER A 111 -14.759 -5.641 -5.678 1.00 0.00 C ATOM 1726 OG SER A 111 -15.933 -5.061 -5.136 1.00 0.00 O ATOM 0 H SER A 111 -12.505 -5.974 -6.617 1.00 0.00 H new ATOM 0 HA SER A 111 -13.567 -3.986 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.719 -5.453 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.789 -6.722 -5.544 1.00 0.00 H new ATOM 0 HG SER A 111 -16.720 -5.439 -5.581 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.292 -6.876 -3.400 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.201 -7.472 -2.072 1.00 0.00 C ATOM 1734 C GLU A 112 -12.160 -6.749 -1.222 1.00 0.00 C ATOM 1735 O GLU A 112 -12.456 -6.280 -0.123 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.846 -8.956 -2.178 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.406 -9.798 -1.043 1.00 0.00 C ATOM 1738 CD GLU A 112 -13.440 -11.277 -1.376 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -13.389 -11.617 -2.576 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -13.517 -12.095 -0.435 1.00 0.00 O ATOM 0 H GLU A 112 -13.249 -7.546 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.173 -7.372 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -13.220 -9.344 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.761 -9.061 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.801 -9.644 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.415 -9.459 -0.808 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.939 -6.662 -1.740 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.852 -5.998 -1.029 1.00 0.00 C ATOM 1749 C PHE A 113 -10.170 -4.522 -0.807 1.00 0.00 C ATOM 1750 O PHE A 113 -9.764 -3.932 0.195 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.543 -6.138 -1.808 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.323 -6.161 -0.933 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.190 -7.110 0.068 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.310 -5.233 -1.110 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.069 -7.135 0.876 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.186 -5.253 -0.305 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.066 -6.204 0.689 1.00 0.00 C ATOM 0 H PHE A 113 -10.677 -7.043 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.740 -6.478 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.576 -7.055 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.459 -5.311 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.972 -7.839 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.399 -4.486 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.977 -7.881 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.402 -4.525 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.189 -6.220 1.319 1.00 0.00 H new ATOM 1767 N SER A 114 -10.897 -3.931 -1.750 1.00 0.00 N ATOM 1768 CA SER A 114 -11.265 -2.523 -1.661 1.00 0.00 C ATOM 1769 C SER A 114 -12.041 -2.245 -0.377 1.00 0.00 C ATOM 1770 O SER A 114 -11.802 -1.246 0.302 1.00 0.00 O ATOM 1771 CB SER A 114 -12.103 -2.116 -2.875 1.00 0.00 C ATOM 1772 OG SER A 114 -12.167 -0.705 -2.999 1.00 0.00 O ATOM 0 H SER A 114 -11.243 -4.405 -2.584 1.00 0.00 H new ATOM 0 HA SER A 114 -10.349 -1.933 -1.646 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.671 -2.545 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.110 -2.522 -2.779 1.00 0.00 H new ATOM 0 HG SER A 114 -11.425 -0.299 -2.504 1.00 0.00 H new ATOM 1778 N SER A 115 -12.972 -3.136 -0.051 1.00 0.00 N ATOM 1779 CA SER A 115 -13.787 -2.985 1.149 1.00 0.00 C ATOM 1780 C SER A 115 -12.960 -3.250 2.404 1.00 0.00 C ATOM 1781 O SER A 115 -12.996 -2.474 3.360 1.00 0.00 O ATOM 1782 CB SER A 115 -14.983 -3.939 1.102 1.00 0.00 C ATOM 1783 OG SER A 115 -14.560 -5.290 1.167 1.00 0.00 O ATOM 0 H SER A 115 -13.181 -3.970 -0.601 1.00 0.00 H new ATOM 0 HA SER A 115 -14.151 -1.958 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.656 -3.725 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.547 -3.775 0.184 1.00 0.00 H new ATOM 0 HG SER A 115 -13.892 -5.458 0.469 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.216 -4.351 2.393 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.378 -4.718 3.529 1.00 0.00 C ATOM 1791 C VAL A 116 -10.393 -3.605 3.868 1.00 0.00 C ATOM 1792 O VAL A 116 -10.279 -3.194 5.023 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.595 -6.015 3.252 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.714 -6.371 4.439 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.550 -7.154 2.926 1.00 0.00 C ATOM 0 H VAL A 116 -12.176 -5.004 1.611 1.00 0.00 H new ATOM 0 HA VAL A 116 -12.045 -4.879 4.376 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.951 -5.852 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.169 -7.290 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -9.006 -5.563 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.335 -6.515 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.980 -8.063 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.221 -7.319 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.134 -6.897 2.042 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.684 -3.122 2.855 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.707 -2.055 3.045 1.00 0.00 C ATOM 1807 C LEU A 117 -9.369 -0.807 3.621 1.00 0.00 C ATOM 1808 O LEU A 117 -8.899 -0.243 4.608 1.00 0.00 O ATOM 1809 CB LEU A 117 -8.026 -1.717 1.718 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.939 -2.689 1.255 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.530 -2.389 -0.178 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.734 -2.621 2.181 1.00 0.00 C ATOM 0 H LEU A 117 -9.767 -3.452 1.893 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.956 -2.406 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.791 -1.663 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.586 -0.723 1.801 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.343 -3.701 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.756 -3.090 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.396 -2.490 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.144 -1.372 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.971 -3.319 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.329 -1.609 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.038 -2.886 3.194 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.464 -0.384 2.999 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.194 0.794 3.453 1.00 0.00 C ATOM 1826 C ALA A 118 -11.416 0.755 4.961 1.00 0.00 C ATOM 1827 O ALA A 118 -11.152 1.731 5.662 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.525 0.904 2.723 1.00 0.00 C ATOM 0 H ALA A 118 -10.866 -0.839 2.179 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.593 1.674 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.059 1.788 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.346 0.988 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.124 0.016 2.923 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.904 -0.379 5.453 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.161 -0.545 6.878 1.00 0.00 C ATOM 1836 C ALA A 119 -10.875 -0.413 7.687 1.00 0.00 C ATOM 1837 O ALA A 119 -10.863 0.197 8.756 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.817 -1.892 7.143 1.00 0.00 C ATOM 0 H ALA A 119 -12.129 -1.196 4.886 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.841 0.246 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -13.003 -2.002 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.762 -1.949 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.157 -2.691 6.805 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.794 -0.989 7.169 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.503 -0.936 7.845 1.00 0.00 C ATOM 1846 C GLN A 120 -8.004 0.501 7.955 1.00 0.00 C ATOM 1847 O GLN A 120 -7.626 0.957 9.034 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.477 -1.789 7.097 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.808 -3.272 7.091 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.860 -3.865 8.485 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -7.525 -3.201 9.467 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.283 -5.120 8.580 1.00 0.00 N ATOM 0 H GLN A 120 -9.787 -1.497 6.285 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.632 -1.334 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.405 -1.437 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.497 -1.646 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.769 -3.424 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -7.061 -3.804 6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.551 -5.633 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.340 -5.571 9.493 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.006 1.210 6.831 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.553 2.596 6.801 1.00 0.00 C ATOM 1863 C LEU A 121 -8.295 3.434 7.838 1.00 0.00 C ATOM 1864 O LEU A 121 -7.682 4.031 8.723 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.760 3.190 5.406 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.595 3.029 4.429 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.101 3.002 2.995 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.582 4.149 4.617 1.00 0.00 C ATOM 0 H LEU A 121 -8.316 0.848 5.929 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.490 2.611 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.644 2.730 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.974 4.253 5.514 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.101 2.080 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.258 2.887 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.788 2.165 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.621 3.935 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.760 4.018 3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.064 5.110 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.195 4.123 5.636 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.618 3.473 7.723 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.445 4.234 8.652 1.00 0.00 C ATOM 1882 C LYS A 122 -10.250 3.742 10.083 1.00 0.00 C ATOM 1883 O LYS A 122 -10.001 4.533 10.993 1.00 0.00 O ATOM 1884 CB LYS A 122 -11.920 4.125 8.260 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.743 5.343 8.644 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.217 5.139 8.339 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.969 6.461 8.310 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.392 6.281 7.911 1.00 0.00 N ATOM 0 H LYS A 122 -10.141 2.986 6.995 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.138 5.279 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.991 3.974 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.349 3.243 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.616 5.549 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.376 6.216 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.324 4.637 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.658 4.485 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.924 6.926 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.480 7.142 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.870 7.205 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.436 5.861 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.866 5.652 8.590 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.364 2.431 10.274 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.198 1.834 11.594 1.00 0.00 C ATOM 1904 C HIS A 123 -8.870 2.254 12.217 1.00 0.00 C ATOM 1905 O HIS A 123 -8.839 3.030 13.173 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.271 0.309 11.500 1.00 0.00 C ATOM 1907 CG HIS A 123 -11.650 -0.208 11.231 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -12.864 0.340 11.471 1.00 0.00 N flip ATOM 1909 CD2 HIS A 123 -11.894 -1.434 10.647 1.00 0.00 C flip ATOM 1910 CE1 HIS A 123 -13.809 -0.554 11.031 1.00 0.00 C flip ATOM 1911 NE2 HIS A 123 -13.197 -1.616 10.538 1.00 0.00 N flip ATOM 0 H HIS A 123 -10.571 1.763 9.532 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.007 2.191 12.231 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.603 -0.031 10.708 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.905 -0.122 12.432 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -13.044 1.248 11.899 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.137 -2.135 10.329 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.879 -0.412 11.080 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.775 1.735 11.671 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.444 2.056 12.174 1.00 0.00 C ATOM 1922 C HIS A 124 -6.295 3.558 12.396 1.00 0.00 C ATOM 1923 O HIS A 124 -5.855 3.998 13.458 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.375 1.564 11.199 1.00 0.00 C ATOM 1925 CG HIS A 124 -5.010 0.123 11.386 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -4.086 -0.304 12.317 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.451 -0.991 10.758 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.974 -1.619 12.251 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.792 -2.060 11.313 1.00 0.00 N ATOM 0 H HIS A 124 -7.783 1.091 10.880 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.312 1.550 13.131 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.730 1.711 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.480 2.175 11.316 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.185 -1.032 9.967 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.324 -2.229 12.861 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.914 -3.036 11.044 1.00 0.00 H new ATOM 1938 N SER A 125 -6.663 4.340 11.386 1.00 0.00 N ATOM 1939 CA SER A 125 -6.566 5.792 11.469 1.00 0.00 C ATOM 1940 C SER A 125 -7.952 6.431 11.466 1.00 0.00 C ATOM 1941 O SER A 125 -8.619 6.488 10.433 1.00 0.00 O ATOM 1942 CB SER A 125 -5.739 6.337 10.303 1.00 0.00 C ATOM 1943 OG SER A 125 -4.403 5.868 10.363 1.00 0.00 O ATOM 0 H SER A 125 -7.031 3.992 10.501 1.00 0.00 H new ATOM 0 HA SER A 125 -6.070 6.045 12.406 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.192 6.034 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.747 7.427 10.325 1.00 0.00 H new ATOM 0 HG SER A 125 -4.147 5.498 9.492 1.00 0.00 H new ATOM 1949 N SER A 126 -8.378 6.910 12.630 1.00 0.00 N ATOM 1950 CA SER A 126 -9.686 7.541 12.764 1.00 0.00 C ATOM 1951 C SER A 126 -10.013 8.380 11.532 1.00 0.00 C ATOM 1952 O SER A 126 -9.246 9.261 11.146 1.00 0.00 O ATOM 1953 CB SER A 126 -9.727 8.417 14.017 1.00 0.00 C ATOM 1954 OG SER A 126 -9.376 7.673 15.171 1.00 0.00 O ATOM 0 H SER A 126 -7.837 6.873 13.494 1.00 0.00 H new ATOM 0 HA SER A 126 -10.434 6.754 12.855 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.042 9.257 13.900 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.726 8.835 14.140 1.00 0.00 H new ATOM 0 HG SER A 126 -9.408 8.256 15.958 1.00 0.00 H new ATOM 1960 N GLY A 127 -11.159 8.099 10.919 1.00 0.00 N ATOM 1961 CA GLY A 127 -11.568 8.835 9.737 1.00 0.00 C ATOM 1962 C GLY A 127 -11.223 10.309 9.824 1.00 0.00 C ATOM 1963 O GLY A 127 -11.262 10.915 10.895 1.00 0.00 O ATOM 0 H GLY A 127 -11.811 7.375 11.220 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.087 8.403 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.643 8.724 9.598 1.00 0.00 H new ATOM 1967 N PRO A 128 -10.875 10.908 8.676 1.00 0.00 N ATOM 1968 CA PRO A 128 -10.514 12.326 8.601 1.00 0.00 C ATOM 1969 C PRO A 128 -11.712 13.242 8.829 1.00 0.00 C ATOM 1970 O PRO A 128 -12.857 12.849 8.608 1.00 0.00 O ATOM 1971 CB PRO A 128 -9.986 12.483 7.173 1.00 0.00 C ATOM 1972 CG PRO A 128 -10.648 11.393 6.402 1.00 0.00 C ATOM 1973 CD PRO A 128 -10.807 10.246 7.362 1.00 0.00 C ATOM 0 HA PRO A 128 -9.793 12.604 9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -10.233 13.463 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -8.901 12.389 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -11.615 11.718 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -10.045 11.102 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -11.709 9.671 7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -9.967 9.554 7.304 1.00 0.00 H new ATOM 1981 N SER A 129 -11.440 14.465 9.273 1.00 0.00 N ATOM 1982 CA SER A 129 -12.496 15.436 9.535 1.00 0.00 C ATOM 1983 C SER A 129 -13.536 14.863 10.493 1.00 0.00 C ATOM 1984 O SER A 129 -14.739 14.971 10.258 1.00 0.00 O ATOM 1985 CB SER A 129 -13.169 15.855 8.226 1.00 0.00 C ATOM 1986 OG SER A 129 -12.247 16.497 7.362 1.00 0.00 O ATOM 0 H SER A 129 -10.497 14.807 9.459 1.00 0.00 H new ATOM 0 HA SER A 129 -12.043 16.312 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.586 14.978 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.001 16.527 8.440 1.00 0.00 H new ATOM 0 HG SER A 129 -12.701 16.754 6.532 1.00 0.00 H new ATOM 1992 N SER A 130 -13.061 14.252 11.574 1.00 0.00 N ATOM 1993 CA SER A 130 -13.949 13.658 12.568 1.00 0.00 C ATOM 1994 C SER A 130 -13.519 14.043 13.980 1.00 0.00 C ATOM 1995 O SER A 130 -12.373 14.430 14.208 1.00 0.00 O ATOM 1996 CB SER A 130 -13.962 12.135 12.424 1.00 0.00 C ATOM 1997 OG SER A 130 -14.801 11.731 11.356 1.00 0.00 O ATOM 0 H SER A 130 -12.068 14.155 11.784 1.00 0.00 H new ATOM 0 HA SER A 130 -14.955 14.041 12.397 1.00 0.00 H new ATOM 0 HB2 SER A 130 -12.948 11.774 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 130 -14.307 11.682 13.353 1.00 0.00 H new ATOM 0 HG SER A 130 -14.791 10.754 11.284 1.00 0.00 H new ATOM 2003 N GLY A 131 -14.448 13.935 14.925 1.00 0.00 N ATOM 2004 CA GLY A 131 -14.147 14.275 16.303 1.00 0.00 C ATOM 2005 C GLY A 131 -14.334 13.102 17.244 1.00 0.00 C ATOM 2006 O GLY A 131 -14.163 13.236 18.456 1.00 0.00 O ATOM 0 H GLY A 131 -15.404 13.618 14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -13.119 14.630 16.370 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -14.789 15.097 16.620 1.00 0.00 H new TER 2010 GLY A 131