USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 645 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 25 LYS NZ :NH3+ -108:sc= -0.38 (180deg=-2.13!) USER MOD Set 1.2: A 56 TYR OH : rot 165:sc= 0.00857 USER MOD Set 1.3: A 60 SER OG : rot 124:sc= 1.37 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 157:sc= 0.507 USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 TYR OH : rot 15:sc= 0.3 USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 1.1 USER MOD Set 4.2: A 87 SER OG : rot 32:sc= 1.22 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 174:sc= -0.153 USER MOD Single : A 10 TYR OH : rot -137:sc= 0.507 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.527 (180deg=-1.36!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.94! K(o=-1.9!,f=-0.75) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 147:sc= 0 (180deg=-1.55!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.05! C(o=-3.1!,f=-8.2!) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.958 (180deg=-1.56) USER MOD Single : A 40 ASN : amide:sc= -2.24! C(o=-2.2!,f=-3.8!) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= -0.956 (180deg=-3.02!) USER MOD Single : A 42 SER OG : rot 160:sc= -1.87 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.22) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.545 X(o=-0.55,f=-0.24) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -70:sc= 0.393 USER MOD Single : A 78 SER OG : rot 88:sc= 0.0304 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0254 K(o=-0.025,f=-0.56) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.503 12.781 -7.491 1.00 0.00 N ATOM 2 CA GLY A 1 17.529 13.577 -8.704 1.00 0.00 C ATOM 3 C GLY A 1 16.147 14.038 -9.124 1.00 0.00 C ATOM 4 O GLY A 1 15.872 15.237 -9.166 1.00 0.00 O ATOM 0 H1 GLY A 1 18.471 12.490 -7.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.104 13.345 -6.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.916 11.936 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.168 14.447 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.974 12.992 -9.509 1.00 0.00 H new ATOM 8 N SER A 2 15.276 13.084 -9.438 1.00 0.00 N ATOM 9 CA SER A 2 13.917 13.399 -9.863 1.00 0.00 C ATOM 10 C SER A 2 13.014 13.641 -8.657 1.00 0.00 C ATOM 11 O SER A 2 13.169 13.007 -7.614 1.00 0.00 O ATOM 12 CB SER A 2 13.352 12.264 -10.718 1.00 0.00 C ATOM 13 OG SER A 2 12.251 12.709 -11.492 1.00 0.00 O ATOM 0 H SER A 2 15.487 12.087 -9.406 1.00 0.00 H new ATOM 0 HA SER A 2 13.950 14.311 -10.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.131 11.877 -11.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.040 11.441 -10.075 1.00 0.00 H new ATOM 0 HG SER A 2 11.908 11.966 -12.031 1.00 0.00 H new ATOM 19 N SER A 3 12.070 14.564 -8.809 1.00 0.00 N ATOM 20 CA SER A 3 11.143 14.894 -7.733 1.00 0.00 C ATOM 21 C SER A 3 10.593 13.629 -7.082 1.00 0.00 C ATOM 22 O SER A 3 10.279 12.653 -7.763 1.00 0.00 O ATOM 23 CB SER A 3 9.992 15.749 -8.267 1.00 0.00 C ATOM 24 OG SER A 3 10.433 17.056 -8.588 1.00 0.00 O ATOM 0 H SER A 3 11.927 15.097 -9.667 1.00 0.00 H new ATOM 0 HA SER A 3 11.688 15.462 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.566 15.278 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.199 15.803 -7.522 1.00 0.00 H new ATOM 0 HG SER A 3 9.679 17.581 -8.928 1.00 0.00 H new ATOM 30 N GLY A 4 10.479 13.653 -5.758 1.00 0.00 N ATOM 31 CA GLY A 4 9.968 12.503 -5.036 1.00 0.00 C ATOM 32 C GLY A 4 8.557 12.719 -4.526 1.00 0.00 C ATOM 33 O GLY A 4 8.291 12.572 -3.333 1.00 0.00 O ATOM 0 H GLY A 4 10.732 14.449 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.985 11.631 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.626 12.284 -4.195 1.00 0.00 H new ATOM 37 N SER A 5 7.649 13.070 -5.431 1.00 0.00 N ATOM 38 CA SER A 5 6.259 13.313 -5.065 1.00 0.00 C ATOM 39 C SER A 5 5.519 11.998 -4.840 1.00 0.00 C ATOM 40 O SER A 5 5.907 10.956 -5.369 1.00 0.00 O ATOM 41 CB SER A 5 5.557 14.126 -6.155 1.00 0.00 C ATOM 42 OG SER A 5 5.687 15.517 -5.918 1.00 0.00 O ATOM 0 H SER A 5 7.851 13.192 -6.423 1.00 0.00 H new ATOM 0 HA SER A 5 6.248 13.880 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.982 13.879 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.501 13.857 -6.190 1.00 0.00 H new ATOM 0 HG SER A 5 5.231 16.014 -6.629 1.00 0.00 H new ATOM 48 N SER A 6 4.451 12.054 -4.051 1.00 0.00 N ATOM 49 CA SER A 6 3.658 10.868 -3.752 1.00 0.00 C ATOM 50 C SER A 6 2.701 10.551 -4.897 1.00 0.00 C ATOM 51 O SER A 6 2.593 9.405 -5.332 1.00 0.00 O ATOM 52 CB SER A 6 2.870 11.068 -2.456 1.00 0.00 C ATOM 53 OG SER A 6 1.846 12.032 -2.625 1.00 0.00 O ATOM 0 H SER A 6 4.115 12.909 -3.607 1.00 0.00 H new ATOM 0 HA SER A 6 4.341 10.027 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.433 10.120 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.545 11.386 -1.662 1.00 0.00 H new ATOM 0 HG SER A 6 1.298 12.073 -1.814 1.00 0.00 H new ATOM 59 N GLY A 7 2.008 11.576 -5.383 1.00 0.00 N ATOM 60 CA GLY A 7 1.069 11.388 -6.473 1.00 0.00 C ATOM 61 C GLY A 7 -0.172 10.630 -6.045 1.00 0.00 C ATOM 62 O GLY A 7 -1.057 11.190 -5.398 1.00 0.00 O ATOM 0 H GLY A 7 2.080 12.534 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.778 12.361 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.560 10.848 -7.282 1.00 0.00 H new ATOM 66 N SER A 8 -0.238 9.353 -6.407 1.00 0.00 N ATOM 67 CA SER A 8 -1.382 8.518 -6.061 1.00 0.00 C ATOM 68 C SER A 8 -0.937 7.275 -5.297 1.00 0.00 C ATOM 69 O SER A 8 0.207 6.835 -5.417 1.00 0.00 O ATOM 70 CB SER A 8 -2.142 8.109 -7.324 1.00 0.00 C ATOM 71 OG SER A 8 -2.880 9.198 -7.851 1.00 0.00 O ATOM 0 H SER A 8 0.488 8.874 -6.940 1.00 0.00 H new ATOM 0 HA SER A 8 -2.044 9.100 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.439 7.746 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.818 7.285 -7.095 1.00 0.00 H new ATOM 0 HG SER A 8 -3.355 8.911 -8.659 1.00 0.00 H new ATOM 77 N TYR A 9 -1.848 6.714 -4.511 1.00 0.00 N ATOM 78 CA TYR A 9 -1.550 5.523 -3.724 1.00 0.00 C ATOM 79 C TYR A 9 -0.923 4.438 -4.594 1.00 0.00 C ATOM 80 O TYR A 9 0.211 4.018 -4.362 1.00 0.00 O ATOM 81 CB TYR A 9 -2.823 4.990 -3.064 1.00 0.00 C ATOM 82 CG TYR A 9 -3.529 6.010 -2.200 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.843 7.097 -1.671 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.883 5.887 -1.911 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.484 8.031 -0.881 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.532 6.818 -1.122 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.828 7.887 -0.610 1.00 0.00 C ATOM 88 OH TYR A 9 -5.471 8.815 0.177 1.00 0.00 O ATOM 0 H TYR A 9 -2.800 7.065 -4.401 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.836 5.800 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.508 4.647 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.570 4.122 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.790 7.213 -1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.437 5.050 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.935 8.869 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.585 6.709 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.415 8.568 0.270 1.00 0.00 H new ATOM 98 N TYR A 10 -1.669 3.989 -5.597 1.00 0.00 N ATOM 99 CA TYR A 10 -1.189 2.951 -6.502 1.00 0.00 C ATOM 100 C TYR A 10 0.303 3.115 -6.775 1.00 0.00 C ATOM 101 O TYR A 10 1.035 2.132 -6.897 1.00 0.00 O ATOM 102 CB TYR A 10 -1.966 2.994 -7.819 1.00 0.00 C ATOM 103 CG TYR A 10 -3.458 2.811 -7.647 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.975 1.652 -7.082 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.349 3.799 -8.049 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.337 1.481 -6.925 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.712 3.637 -7.894 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.201 2.476 -7.332 1.00 0.00 C ATOM 109 OH TYR A 10 -7.558 2.310 -7.175 1.00 0.00 O ATOM 0 H TYR A 10 -2.609 4.327 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.350 1.985 -6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.780 3.949 -8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.587 2.215 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.301 0.872 -6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.969 4.709 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.723 0.573 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.391 4.415 -8.211 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.020 2.611 -7.985 1.00 0.00 H new ATOM 119 N ASP A 11 0.748 4.363 -6.867 1.00 0.00 N ATOM 120 CA ASP A 11 2.153 4.657 -7.124 1.00 0.00 C ATOM 121 C ASP A 11 2.983 4.494 -5.854 1.00 0.00 C ATOM 122 O ASP A 11 4.078 3.932 -5.884 1.00 0.00 O ATOM 123 CB ASP A 11 2.308 6.077 -7.670 1.00 0.00 C ATOM 124 CG ASP A 11 2.185 6.133 -9.180 1.00 0.00 C ATOM 125 OD1 ASP A 11 2.492 5.118 -9.838 1.00 0.00 O ATOM 126 OD2 ASP A 11 1.781 7.193 -9.704 1.00 0.00 O ATOM 0 H ASP A 11 0.156 5.188 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 11 2.517 3.949 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.550 6.720 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.279 6.474 -7.372 1.00 0.00 H new ATOM 131 N ILE A 12 2.454 4.990 -4.740 1.00 0.00 N ATOM 132 CA ILE A 12 3.146 4.899 -3.460 1.00 0.00 C ATOM 133 C ILE A 12 3.356 3.445 -3.051 1.00 0.00 C ATOM 134 O ILE A 12 4.455 3.052 -2.658 1.00 0.00 O ATOM 135 CB ILE A 12 2.368 5.627 -2.347 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.166 7.098 -2.715 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.102 5.503 -1.021 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.184 7.816 -1.816 1.00 0.00 C ATOM 0 H ILE A 12 1.549 5.459 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 12 4.115 5.381 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 12 1.388 5.160 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.127 7.610 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.817 7.162 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.540 6.022 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.199 4.450 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.093 5.948 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.090 8.854 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.211 7.328 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.542 7.784 -0.787 1.00 0.00 H new ATOM 150 N LEU A 13 2.296 2.650 -3.148 1.00 0.00 N ATOM 151 CA LEU A 13 2.364 1.238 -2.790 1.00 0.00 C ATOM 152 C LEU A 13 3.084 0.436 -3.869 1.00 0.00 C ATOM 153 O LEU A 13 3.814 -0.508 -3.572 1.00 0.00 O ATOM 154 CB LEU A 13 0.957 0.677 -2.575 1.00 0.00 C ATOM 155 CG LEU A 13 0.250 1.112 -1.291 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.157 0.537 -1.236 1.00 0.00 C ATOM 157 CD2 LEU A 13 1.051 0.684 -0.070 1.00 0.00 C ATOM 0 H LEU A 13 1.379 2.959 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 13 2.929 1.151 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.338 0.968 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.016 -0.411 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 13 0.177 2.200 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.645 0.857 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.729 0.893 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.106 -0.552 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.533 1.002 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.156 -0.401 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.039 1.144 -0.103 1.00 0.00 H new ATOM 169 N GLY A 14 2.874 0.822 -5.125 1.00 0.00 N ATOM 170 CA GLY A 14 3.512 0.130 -6.229 1.00 0.00 C ATOM 171 C GLY A 14 2.602 -0.899 -6.872 1.00 0.00 C ATOM 172 O GLY A 14 3.064 -1.937 -7.345 1.00 0.00 O ATOM 0 H GLY A 14 2.274 1.601 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.821 0.857 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.416 -0.362 -5.871 1.00 0.00 H new ATOM 176 N VAL A 15 1.305 -0.610 -6.889 1.00 0.00 N ATOM 177 CA VAL A 15 0.327 -1.518 -7.477 1.00 0.00 C ATOM 178 C VAL A 15 -0.370 -0.876 -8.671 1.00 0.00 C ATOM 179 O VAL A 15 -0.476 0.346 -8.776 1.00 0.00 O ATOM 180 CB VAL A 15 -0.733 -1.946 -6.446 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.138 -2.921 -5.441 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.313 -0.729 -5.742 1.00 0.00 C ATOM 0 H VAL A 15 0.907 0.246 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 15 0.874 -2.400 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.542 -2.453 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.902 -3.212 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.224 -3.806 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.691 -2.444 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.061 -1.050 -5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.516 -0.192 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.779 -0.072 -6.476 1.00 0.00 H new ATOM 192 N PRO A 16 -0.859 -1.718 -9.594 1.00 0.00 N ATOM 193 CA PRO A 16 -1.557 -1.255 -10.797 1.00 0.00 C ATOM 194 C PRO A 16 -2.922 -0.653 -10.480 1.00 0.00 C ATOM 195 O PRO A 16 -3.520 -0.953 -9.447 1.00 0.00 O ATOM 196 CB PRO A 16 -1.714 -2.530 -11.629 1.00 0.00 C ATOM 197 CG PRO A 16 -1.691 -3.637 -10.632 1.00 0.00 C ATOM 198 CD PRO A 16 -0.769 -3.186 -9.533 1.00 0.00 C ATOM 0 HA PRO A 16 -1.009 -0.462 -11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.647 -2.523 -12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.906 -2.632 -12.353 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.691 -3.835 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.335 -4.562 -11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.084 -3.568 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.251 -3.533 -9.696 1.00 0.00 H new ATOM 206 N LYS A 17 -3.411 0.197 -11.377 1.00 0.00 N ATOM 207 CA LYS A 17 -4.707 0.840 -11.194 1.00 0.00 C ATOM 208 C LYS A 17 -5.807 -0.199 -11.001 1.00 0.00 C ATOM 209 O LYS A 17 -6.764 0.027 -10.260 1.00 0.00 O ATOM 210 CB LYS A 17 -5.034 1.725 -12.399 1.00 0.00 C ATOM 211 CG LYS A 17 -4.383 3.096 -12.340 1.00 0.00 C ATOM 212 CD LYS A 17 -4.997 3.959 -11.250 1.00 0.00 C ATOM 213 CE LYS A 17 -4.213 5.247 -11.051 1.00 0.00 C ATOM 214 NZ LYS A 17 -2.859 4.991 -10.487 1.00 0.00 N ATOM 0 H LYS A 17 -2.929 0.456 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.655 1.459 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.713 1.218 -13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.115 1.848 -12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.314 2.985 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.492 3.593 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.029 4.196 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.025 3.400 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.117 5.765 -12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.765 5.909 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.528 5.838 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.904 4.189 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.198 4.767 -11.258 1.00 0.00 H new ATOM 228 N SER A 18 -5.663 -1.339 -11.669 1.00 0.00 N ATOM 229 CA SER A 18 -6.646 -2.411 -11.572 1.00 0.00 C ATOM 230 C SER A 18 -6.162 -3.508 -10.628 1.00 0.00 C ATOM 231 O SER A 18 -6.609 -4.652 -10.706 1.00 0.00 O ATOM 232 CB SER A 18 -6.927 -3.001 -12.955 1.00 0.00 C ATOM 233 OG SER A 18 -8.239 -3.532 -13.027 1.00 0.00 O ATOM 0 H SER A 18 -4.875 -1.544 -12.283 1.00 0.00 H new ATOM 0 HA SER A 18 -7.568 -1.990 -11.170 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.801 -2.230 -13.715 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.202 -3.785 -13.173 1.00 0.00 H new ATOM 0 HG SER A 18 -8.394 -3.901 -13.921 1.00 0.00 H new ATOM 239 N ALA A 19 -5.246 -3.149 -9.735 1.00 0.00 N ATOM 240 CA ALA A 19 -4.702 -4.100 -8.774 1.00 0.00 C ATOM 241 C ALA A 19 -5.808 -4.712 -7.921 1.00 0.00 C ATOM 242 O ALA A 19 -6.757 -4.029 -7.536 1.00 0.00 O ATOM 243 CB ALA A 19 -3.664 -3.423 -7.890 1.00 0.00 C ATOM 0 H ALA A 19 -4.865 -2.206 -9.657 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.220 -4.905 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.266 -4.145 -7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.853 -3.040 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.129 -2.598 -7.350 1.00 0.00 H new ATOM 249 N SER A 20 -5.679 -6.002 -7.630 1.00 0.00 N ATOM 250 CA SER A 20 -6.670 -6.707 -6.826 1.00 0.00 C ATOM 251 C SER A 20 -6.303 -6.661 -5.346 1.00 0.00 C ATOM 252 O SER A 20 -5.125 -6.627 -4.990 1.00 0.00 O ATOM 253 CB SER A 20 -6.792 -8.161 -7.287 1.00 0.00 C ATOM 254 OG SER A 20 -7.398 -8.241 -8.566 1.00 0.00 O ATOM 0 H SER A 20 -4.898 -6.580 -7.939 1.00 0.00 H new ATOM 0 HA SER A 20 -7.630 -6.209 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.804 -8.620 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.382 -8.726 -6.566 1.00 0.00 H new ATOM 0 HG SER A 20 -7.463 -9.180 -8.839 1.00 0.00 H new ATOM 260 N GLU A 21 -7.319 -6.659 -4.490 1.00 0.00 N ATOM 261 CA GLU A 21 -7.103 -6.616 -3.048 1.00 0.00 C ATOM 262 C GLU A 21 -5.866 -7.421 -2.659 1.00 0.00 C ATOM 263 O GLU A 21 -5.149 -7.064 -1.724 1.00 0.00 O ATOM 264 CB GLU A 21 -8.329 -7.156 -2.310 1.00 0.00 C ATOM 265 CG GLU A 21 -8.107 -7.347 -0.819 1.00 0.00 C ATOM 266 CD GLU A 21 -9.115 -8.292 -0.195 1.00 0.00 C ATOM 267 OE1 GLU A 21 -9.377 -9.358 -0.791 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.643 -7.967 0.889 1.00 0.00 O ATOM 0 H GLU A 21 -8.300 -6.687 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.944 -5.577 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.164 -6.471 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.617 -8.110 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.101 -7.733 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.164 -6.380 -0.320 1.00 0.00 H new ATOM 275 N ARG A 22 -5.623 -8.508 -3.383 1.00 0.00 N ATOM 276 CA ARG A 22 -4.475 -9.365 -3.113 1.00 0.00 C ATOM 277 C ARG A 22 -3.169 -8.634 -3.413 1.00 0.00 C ATOM 278 O ARG A 22 -2.254 -8.617 -2.590 1.00 0.00 O ATOM 279 CB ARG A 22 -4.559 -10.644 -3.948 1.00 0.00 C ATOM 280 CG ARG A 22 -3.272 -11.453 -3.953 1.00 0.00 C ATOM 281 CD ARG A 22 -3.493 -12.848 -4.518 1.00 0.00 C ATOM 282 NE ARG A 22 -4.186 -13.718 -3.573 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.320 -15.029 -3.742 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.811 -15.617 -4.816 1.00 0.00 N ATOM 285 NH2 ARG A 22 -4.965 -15.754 -2.837 1.00 0.00 N ATOM 0 H ARG A 22 -6.206 -8.816 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.490 -9.628 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.368 -11.266 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.818 -10.382 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.518 -10.935 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.884 -11.528 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.072 -12.778 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.531 -13.290 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.590 -13.296 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.315 -15.063 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.915 -16.624 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.359 -15.305 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.067 -16.760 -2.968 1.00 0.00 H new ATOM 299 N GLN A 23 -3.091 -8.033 -4.596 1.00 0.00 N ATOM 300 CA GLN A 23 -1.898 -7.302 -5.004 1.00 0.00 C ATOM 301 C GLN A 23 -1.676 -6.082 -4.116 1.00 0.00 C ATOM 302 O GLN A 23 -0.541 -5.750 -3.774 1.00 0.00 O ATOM 303 CB GLN A 23 -2.014 -6.868 -6.466 1.00 0.00 C ATOM 304 CG GLN A 23 -1.796 -8.001 -7.456 1.00 0.00 C ATOM 305 CD GLN A 23 -1.847 -7.535 -8.898 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.881 -6.974 -9.415 1.00 0.00 O ATOM 307 NE2 GLN A 23 -2.978 -7.765 -9.555 1.00 0.00 N ATOM 0 H GLN A 23 -3.840 -8.038 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.042 -7.968 -4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.002 -6.437 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.286 -6.081 -6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.829 -8.466 -7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.556 -8.767 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.754 -8.233 -9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.071 -7.473 -10.528 1.00 0.00 H new ATOM 316 N ILE A 24 -2.767 -5.419 -3.747 1.00 0.00 N ATOM 317 CA ILE A 24 -2.691 -4.237 -2.898 1.00 0.00 C ATOM 318 C ILE A 24 -2.034 -4.562 -1.560 1.00 0.00 C ATOM 319 O ILE A 24 -1.034 -3.950 -1.182 1.00 0.00 O ATOM 320 CB ILE A 24 -4.086 -3.639 -2.639 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.651 -3.033 -3.926 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.017 -2.590 -1.540 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.163 -3.051 -3.988 1.00 0.00 C ATOM 0 H ILE A 24 -3.714 -5.680 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.084 -3.505 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.752 -4.437 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.304 -2.004 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.254 -3.580 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.011 -2.177 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.652 -3.049 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.339 -1.791 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.494 -2.606 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.517 -4.080 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.568 -2.479 -3.153 1.00 0.00 H new ATOM 335 N LYS A 25 -2.600 -5.530 -0.849 1.00 0.00 N ATOM 336 CA LYS A 25 -2.069 -5.940 0.446 1.00 0.00 C ATOM 337 C LYS A 25 -0.702 -6.598 0.289 1.00 0.00 C ATOM 338 O LYS A 25 0.156 -6.487 1.165 1.00 0.00 O ATOM 339 CB LYS A 25 -3.036 -6.906 1.134 1.00 0.00 C ATOM 340 CG LYS A 25 -3.222 -8.216 0.387 1.00 0.00 C ATOM 341 CD LYS A 25 -4.460 -8.958 0.863 1.00 0.00 C ATOM 342 CE LYS A 25 -4.257 -9.549 2.250 1.00 0.00 C ATOM 343 NZ LYS A 25 -4.479 -8.538 3.320 1.00 0.00 N ATOM 0 H LYS A 25 -3.427 -6.046 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.955 -5.049 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.670 -7.119 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.005 -6.420 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.304 -8.018 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.343 -8.845 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.311 -8.277 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.701 -9.754 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.942 -10.385 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.246 -9.948 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.567 -8.278 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.923 -7.691 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.102 -8.937 4.051 1.00 0.00 H new ATOM 357 N LYS A 26 -0.505 -7.282 -0.832 1.00 0.00 N ATOM 358 CA LYS A 26 0.759 -7.956 -1.106 1.00 0.00 C ATOM 359 C LYS A 26 1.889 -6.945 -1.276 1.00 0.00 C ATOM 360 O LYS A 26 2.948 -7.076 -0.665 1.00 0.00 O ATOM 361 CB LYS A 26 0.639 -8.819 -2.364 1.00 0.00 C ATOM 362 CG LYS A 26 0.184 -10.241 -2.085 1.00 0.00 C ATOM 363 CD LYS A 26 0.674 -11.204 -3.154 1.00 0.00 C ATOM 364 CE LYS A 26 2.043 -11.770 -2.808 1.00 0.00 C ATOM 365 NZ LYS A 26 2.555 -12.673 -3.876 1.00 0.00 N ATOM 0 H LYS A 26 -1.205 -7.385 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 26 0.992 -8.596 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.065 -8.349 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.605 -8.848 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.556 -10.558 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.904 -10.273 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.041 -12.019 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.724 -10.690 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.747 -10.952 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.983 -12.317 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.490 -13.038 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.896 -13.468 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.637 -12.144 -4.768 1.00 0.00 H new ATOM 379 N ALA A 27 1.654 -5.938 -2.110 1.00 0.00 N ATOM 380 CA ALA A 27 2.651 -4.903 -2.358 1.00 0.00 C ATOM 381 C ALA A 27 2.908 -4.077 -1.102 1.00 0.00 C ATOM 382 O ALA A 27 4.055 -3.783 -0.765 1.00 0.00 O ATOM 383 CB ALA A 27 2.205 -4.004 -3.501 1.00 0.00 C ATOM 0 H ALA A 27 0.782 -5.816 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 27 3.584 -5.391 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.959 -3.236 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.079 -4.600 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.258 -3.531 -3.243 1.00 0.00 H new ATOM 389 N PHE A 28 1.834 -3.706 -0.413 1.00 0.00 N ATOM 390 CA PHE A 28 1.944 -2.912 0.805 1.00 0.00 C ATOM 391 C PHE A 28 2.715 -3.671 1.881 1.00 0.00 C ATOM 392 O PHE A 28 3.795 -3.253 2.299 1.00 0.00 O ATOM 393 CB PHE A 28 0.554 -2.540 1.324 1.00 0.00 C ATOM 394 CG PHE A 28 0.578 -1.821 2.643 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.644 -1.003 2.981 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.464 -1.964 3.544 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.670 -0.340 4.194 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.444 -1.304 4.758 1.00 0.00 C ATOM 399 CZ PHE A 28 0.625 -0.492 5.084 1.00 0.00 C ATOM 0 H PHE A 28 0.878 -3.942 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 28 2.491 -2.000 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.056 -1.911 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.042 -3.447 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.464 -0.882 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.302 -2.599 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.506 0.296 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.263 -1.423 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.643 0.023 6.033 1.00 0.00 H new ATOM 409 N HIS A 29 2.151 -4.790 2.326 1.00 0.00 N ATOM 410 CA HIS A 29 2.784 -5.608 3.354 1.00 0.00 C ATOM 411 C HIS A 29 4.301 -5.613 3.187 1.00 0.00 C ATOM 412 O HIS A 29 5.037 -5.219 4.092 1.00 0.00 O ATOM 413 CB HIS A 29 2.249 -7.039 3.298 1.00 0.00 C ATOM 414 CG HIS A 29 0.915 -7.206 3.959 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.653 -8.190 4.889 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.235 -6.505 3.820 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.601 -8.088 5.293 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.162 -7.074 4.660 1.00 0.00 N ATOM 0 H HIS A 29 1.258 -5.150 1.991 1.00 0.00 H new ATOM 0 HA HIS A 29 2.544 -5.176 4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.170 -7.348 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.968 -7.706 3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.394 -5.657 3.170 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.085 -8.726 6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.127 -6.763 4.776 1.00 0.00 H new ATOM 426 N LYS A 30 4.761 -6.062 2.024 1.00 0.00 N ATOM 427 CA LYS A 30 6.190 -6.119 1.737 1.00 0.00 C ATOM 428 C LYS A 30 6.849 -4.767 1.990 1.00 0.00 C ATOM 429 O LYS A 30 7.900 -4.687 2.628 1.00 0.00 O ATOM 430 CB LYS A 30 6.423 -6.548 0.287 1.00 0.00 C ATOM 431 CG LYS A 30 6.018 -7.985 0.005 1.00 0.00 C ATOM 432 CD LYS A 30 6.401 -8.406 -1.403 1.00 0.00 C ATOM 433 CE LYS A 30 5.470 -7.797 -2.441 1.00 0.00 C ATOM 434 NZ LYS A 30 5.591 -8.475 -3.761 1.00 0.00 N ATOM 0 H LYS A 30 4.165 -6.392 1.265 1.00 0.00 H new ATOM 0 HA LYS A 30 6.641 -6.854 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.864 -5.885 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.478 -6.423 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.497 -8.647 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.942 -8.093 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.427 -8.100 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.371 -9.493 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.440 -7.866 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.697 -6.737 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.941 -8.031 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.567 -8.387 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.349 -9.481 -3.658 1.00 0.00 H new ATOM 448 N LEU A 31 6.226 -3.706 1.489 1.00 0.00 N ATOM 449 CA LEU A 31 6.752 -2.357 1.662 1.00 0.00 C ATOM 450 C LEU A 31 6.875 -2.006 3.141 1.00 0.00 C ATOM 451 O LEU A 31 7.967 -1.727 3.635 1.00 0.00 O ATOM 452 CB LEU A 31 5.850 -1.342 0.958 1.00 0.00 C ATOM 453 CG LEU A 31 5.986 -1.264 -0.563 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.874 -0.413 -1.155 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.349 -0.707 -0.948 1.00 0.00 C ATOM 0 H LEU A 31 5.356 -3.754 0.959 1.00 0.00 H new ATOM 0 HA LEU A 31 7.746 -2.321 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.814 -1.579 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.055 -0.355 1.372 1.00 0.00 H new ATOM 0 HG LEU A 31 5.899 -2.272 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.987 -0.369 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.908 -0.854 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.929 0.595 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.429 -0.658 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.464 0.293 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.132 -1.356 -0.556 1.00 0.00 H new ATOM 467 N ALA A 32 5.747 -2.025 3.844 1.00 0.00 N ATOM 468 CA ALA A 32 5.728 -1.713 5.268 1.00 0.00 C ATOM 469 C ALA A 32 6.985 -2.230 5.959 1.00 0.00 C ATOM 470 O ALA A 32 7.489 -1.609 6.895 1.00 0.00 O ATOM 471 CB ALA A 32 4.485 -2.299 5.920 1.00 0.00 C ATOM 0 H ALA A 32 4.834 -2.253 3.450 1.00 0.00 H new ATOM 0 HA ALA A 32 5.705 -0.629 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.484 -2.058 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.595 -1.878 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.484 -3.382 5.793 1.00 0.00 H new ATOM 477 N MET A 33 7.485 -3.370 5.493 1.00 0.00 N ATOM 478 CA MET A 33 8.684 -3.969 6.068 1.00 0.00 C ATOM 479 C MET A 33 9.915 -3.124 5.759 1.00 0.00 C ATOM 480 O MET A 33 10.735 -2.858 6.639 1.00 0.00 O ATOM 481 CB MET A 33 8.877 -5.389 5.532 1.00 0.00 C ATOM 482 CG MET A 33 7.638 -6.260 5.659 1.00 0.00 C ATOM 483 SD MET A 33 6.803 -6.053 7.244 1.00 0.00 S ATOM 484 CE MET A 33 5.168 -6.668 6.848 1.00 0.00 C ATOM 0 H MET A 33 7.079 -3.897 4.720 1.00 0.00 H new ATOM 0 HA MET A 33 8.557 -4.011 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.168 -5.336 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.700 -5.862 6.068 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.945 -6.019 4.853 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.919 -7.306 5.535 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.738 -7.151 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.531 -5.838 6.542 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.238 -7.390 6.035 1.00 0.00 H new ATOM 494 N LYS A 34 10.041 -2.705 4.504 1.00 0.00 N ATOM 495 CA LYS A 34 11.172 -1.890 4.079 1.00 0.00 C ATOM 496 C LYS A 34 11.125 -0.512 4.731 1.00 0.00 C ATOM 497 O LYS A 34 12.160 0.123 4.939 1.00 0.00 O ATOM 498 CB LYS A 34 11.178 -1.744 2.555 1.00 0.00 C ATOM 499 CG LYS A 34 12.466 -1.158 2.005 1.00 0.00 C ATOM 500 CD LYS A 34 12.378 -0.927 0.506 1.00 0.00 C ATOM 501 CE LYS A 34 13.247 0.243 0.070 1.00 0.00 C ATOM 502 NZ LYS A 34 14.698 -0.075 0.176 1.00 0.00 N ATOM 0 H LYS A 34 9.373 -2.917 3.763 1.00 0.00 H new ATOM 0 HA LYS A 34 12.087 -2.391 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.012 -2.722 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.343 -1.110 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.681 -0.215 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.295 -1.831 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.689 -1.829 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.342 -0.736 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.008 0.509 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.020 1.113 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.257 0.747 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.932 -0.305 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.920 -0.890 -0.431 1.00 0.00 H new ATOM 516 N TYR A 35 9.920 -0.056 5.054 1.00 0.00 N ATOM 517 CA TYR A 35 9.739 1.247 5.682 1.00 0.00 C ATOM 518 C TYR A 35 9.109 1.103 7.064 1.00 0.00 C ATOM 519 O TYR A 35 8.480 2.032 7.572 1.00 0.00 O ATOM 520 CB TYR A 35 8.866 2.144 4.802 1.00 0.00 C ATOM 521 CG TYR A 35 9.494 2.479 3.468 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.439 3.491 3.357 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.141 1.783 2.318 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.014 3.801 2.139 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.712 2.085 1.097 1.00 0.00 C ATOM 526 CZ TYR A 35 10.648 3.094 1.013 1.00 0.00 C ATOM 527 OH TYR A 35 11.218 3.399 -0.202 1.00 0.00 O ATOM 0 H TYR A 35 9.054 -0.570 4.891 1.00 0.00 H new ATOM 0 HA TYR A 35 10.721 1.706 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.910 1.650 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.655 3.070 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.729 4.045 4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.408 0.993 2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.746 4.592 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.427 1.534 0.213 1.00 0.00 H new ATOM 0 HH TYR A 35 10.852 2.808 -0.893 1.00 0.00 H new ATOM 537 N HIS A 36 9.283 -0.069 7.667 1.00 0.00 N ATOM 538 CA HIS A 36 8.733 -0.336 8.991 1.00 0.00 C ATOM 539 C HIS A 36 9.416 0.527 10.048 1.00 0.00 C ATOM 540 O HIS A 36 10.635 0.495 10.217 1.00 0.00 O ATOM 541 CB HIS A 36 8.892 -1.815 9.343 1.00 0.00 C ATOM 542 CG HIS A 36 7.834 -2.327 10.273 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.408 -1.630 11.383 1.00 0.00 N ATOM 544 CD2 HIS A 36 7.115 -3.473 10.250 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.473 -2.327 12.005 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.277 -3.449 11.337 1.00 0.00 N ATOM 0 H HIS A 36 9.800 -0.848 7.260 1.00 0.00 H new ATOM 0 HA HIS A 36 7.672 -0.086 8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.873 -2.403 8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.870 -1.968 9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.187 -4.260 9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.957 -2.030 12.906 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.611 -4.180 11.588 1.00 0.00 H new ATOM 554 N PRO A 37 8.614 1.319 10.775 1.00 0.00 N ATOM 555 CA PRO A 37 9.120 2.205 11.827 1.00 0.00 C ATOM 556 C PRO A 37 9.625 1.434 13.042 1.00 0.00 C ATOM 557 O PRO A 37 10.091 2.027 14.016 1.00 0.00 O ATOM 558 CB PRO A 37 7.898 3.048 12.199 1.00 0.00 C ATOM 559 CG PRO A 37 6.728 2.201 11.833 1.00 0.00 C ATOM 560 CD PRO A 37 7.152 1.409 10.627 1.00 0.00 C ATOM 0 HA PRO A 37 9.974 2.793 11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.894 3.292 13.261 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.888 3.993 11.655 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.451 1.541 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.856 2.815 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.688 0.423 10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.872 1.908 9.699 1.00 0.00 H new ATOM 568 N ASP A 38 9.529 0.111 12.979 1.00 0.00 N ATOM 569 CA ASP A 38 9.978 -0.741 14.074 1.00 0.00 C ATOM 570 C ASP A 38 11.295 -1.427 13.724 1.00 0.00 C ATOM 571 O ASP A 38 12.132 -1.668 14.594 1.00 0.00 O ATOM 572 CB ASP A 38 8.914 -1.790 14.401 1.00 0.00 C ATOM 573 CG ASP A 38 7.827 -1.248 15.308 1.00 0.00 C ATOM 574 OD1 ASP A 38 7.354 -0.119 15.059 1.00 0.00 O ATOM 575 OD2 ASP A 38 7.449 -1.952 16.269 1.00 0.00 O ATOM 0 H ASP A 38 9.144 -0.395 12.181 1.00 0.00 H new ATOM 0 HA ASP A 38 10.138 -0.112 14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.465 -2.149 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.388 -2.647 14.879 1.00 0.00 H new ATOM 580 N LYS A 39 11.471 -1.741 12.445 1.00 0.00 N ATOM 581 CA LYS A 39 12.686 -2.399 11.978 1.00 0.00 C ATOM 582 C LYS A 39 13.678 -1.382 11.425 1.00 0.00 C ATOM 583 O LYS A 39 14.884 -1.496 11.640 1.00 0.00 O ATOM 584 CB LYS A 39 12.348 -3.435 10.904 1.00 0.00 C ATOM 585 CG LYS A 39 11.565 -4.625 11.430 1.00 0.00 C ATOM 586 CD LYS A 39 12.478 -5.646 12.089 1.00 0.00 C ATOM 587 CE LYS A 39 12.976 -6.677 11.088 1.00 0.00 C ATOM 588 NZ LYS A 39 13.895 -6.076 10.083 1.00 0.00 N ATOM 0 H LYS A 39 10.787 -1.550 11.713 1.00 0.00 H new ATOM 0 HA LYS A 39 13.146 -2.903 12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.772 -2.952 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.273 -3.791 10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.821 -4.283 12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.023 -5.096 10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.329 -5.136 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.942 -6.148 12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.491 -7.478 11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.125 -7.128 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.443 -6.829 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.340 -5.562 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.544 -5.416 10.557 1.00 0.00 H new ATOM 602 N ASN A 40 13.162 -0.386 10.712 1.00 0.00 N ATOM 603 CA ASN A 40 14.003 0.653 10.129 1.00 0.00 C ATOM 604 C ASN A 40 14.460 1.645 11.194 1.00 0.00 C ATOM 605 O ASN A 40 13.648 2.352 11.791 1.00 0.00 O ATOM 606 CB ASN A 40 13.246 1.390 9.022 1.00 0.00 C ATOM 607 CG ASN A 40 14.178 2.054 8.028 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.295 2.443 8.371 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.723 2.188 6.788 1.00 0.00 N ATOM 0 H ASN A 40 12.165 -0.277 10.524 1.00 0.00 H new ATOM 0 HA ASN A 40 14.884 0.174 9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.600 0.686 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.598 2.144 9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.306 2.628 6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.791 1.851 6.548 1.00 0.00 H new ATOM 616 N LYS A 41 15.767 1.692 11.429 1.00 0.00 N ATOM 617 CA LYS A 41 16.335 2.597 12.420 1.00 0.00 C ATOM 618 C LYS A 41 16.611 3.968 11.811 1.00 0.00 C ATOM 619 O LYS A 41 17.649 4.576 12.070 1.00 0.00 O ATOM 620 CB LYS A 41 17.629 2.013 12.993 1.00 0.00 C ATOM 621 CG LYS A 41 17.929 2.474 14.409 1.00 0.00 C ATOM 622 CD LYS A 41 17.117 1.697 15.432 1.00 0.00 C ATOM 623 CE LYS A 41 17.676 0.299 15.643 1.00 0.00 C ATOM 624 NZ LYS A 41 17.092 -0.682 14.687 1.00 0.00 N ATOM 0 H LYS A 41 16.453 1.113 10.946 1.00 0.00 H new ATOM 0 HA LYS A 41 15.609 2.715 13.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.564 0.925 12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.461 2.290 12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.992 2.349 14.616 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.709 3.538 14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.113 2.235 16.380 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.081 1.629 15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.759 0.320 15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.472 -0.023 16.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.753 -1.515 15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.296 -0.243 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.818 -0.974 14.002 1.00 0.00 H new ATOM 638 N SER A 42 15.673 4.450 11.001 1.00 0.00 N ATOM 639 CA SER A 42 15.817 5.748 10.353 1.00 0.00 C ATOM 640 C SER A 42 14.579 6.610 10.583 1.00 0.00 C ATOM 641 O SER A 42 13.446 6.126 10.588 1.00 0.00 O ATOM 642 CB SER A 42 16.055 5.569 8.852 1.00 0.00 C ATOM 643 OG SER A 42 16.479 6.783 8.255 1.00 0.00 O ATOM 0 H SER A 42 14.806 3.961 10.778 1.00 0.00 H new ATOM 0 HA SER A 42 16.677 6.252 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.808 4.798 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.138 5.225 8.373 1.00 0.00 H new ATOM 0 HG SER A 42 16.924 6.591 7.403 1.00 0.00 H new ATOM 649 N PRO A 43 14.798 7.919 10.778 1.00 0.00 N ATOM 650 CA PRO A 43 13.713 8.877 11.012 1.00 0.00 C ATOM 651 C PRO A 43 12.862 9.105 9.767 1.00 0.00 C ATOM 652 O PRO A 43 11.695 9.484 9.862 1.00 0.00 O ATOM 653 CB PRO A 43 14.451 10.161 11.398 1.00 0.00 C ATOM 654 CG PRO A 43 15.793 10.032 10.764 1.00 0.00 C ATOM 655 CD PRO A 43 16.121 8.564 10.785 1.00 0.00 C ATOM 0 HA PRO A 43 13.015 8.525 11.772 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.925 11.044 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.532 10.261 12.480 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.781 10.415 9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.540 10.607 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.715 8.272 9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.695 8.293 11.671 1.00 0.00 H new ATOM 663 N ASP A 44 13.454 8.870 8.601 1.00 0.00 N ATOM 664 CA ASP A 44 12.750 9.048 7.337 1.00 0.00 C ATOM 665 C ASP A 44 11.740 7.927 7.114 1.00 0.00 C ATOM 666 O ASP A 44 10.668 8.146 6.551 1.00 0.00 O ATOM 667 CB ASP A 44 13.745 9.093 6.176 1.00 0.00 C ATOM 668 CG ASP A 44 14.781 7.991 6.259 1.00 0.00 C ATOM 669 OD1 ASP A 44 14.386 6.807 6.298 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.988 8.311 6.286 1.00 0.00 O ATOM 0 H ASP A 44 14.420 8.556 8.505 1.00 0.00 H new ATOM 0 HA ASP A 44 12.211 9.994 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.204 9.008 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.247 10.060 6.169 1.00 0.00 H new ATOM 675 N ALA A 45 12.091 6.725 7.560 1.00 0.00 N ATOM 676 CA ALA A 45 11.215 5.569 7.410 1.00 0.00 C ATOM 677 C ALA A 45 9.842 5.839 8.016 1.00 0.00 C ATOM 678 O ALA A 45 8.818 5.457 7.450 1.00 0.00 O ATOM 679 CB ALA A 45 11.846 4.342 8.053 1.00 0.00 C ATOM 0 H ALA A 45 12.975 6.526 8.028 1.00 0.00 H new ATOM 0 HA ALA A 45 11.082 5.380 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.181 3.486 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.801 4.130 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.008 4.530 9.114 1.00 0.00 H new ATOM 685 N GLU A 46 9.828 6.498 9.171 1.00 0.00 N ATOM 686 CA GLU A 46 8.580 6.816 9.853 1.00 0.00 C ATOM 687 C GLU A 46 7.649 7.612 8.942 1.00 0.00 C ATOM 688 O GLU A 46 6.444 7.367 8.902 1.00 0.00 O ATOM 689 CB GLU A 46 8.859 7.609 11.132 1.00 0.00 C ATOM 690 CG GLU A 46 7.617 7.879 11.964 1.00 0.00 C ATOM 691 CD GLU A 46 7.910 8.718 13.193 1.00 0.00 C ATOM 692 OE1 GLU A 46 7.979 9.958 13.063 1.00 0.00 O ATOM 693 OE2 GLU A 46 8.069 8.134 14.285 1.00 0.00 O ATOM 0 H GLU A 46 10.667 6.821 9.653 1.00 0.00 H new ATOM 0 HA GLU A 46 8.090 5.878 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.580 7.062 11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.322 8.559 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.876 8.389 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.177 6.930 12.272 1.00 0.00 H new ATOM 700 N ALA A 47 8.218 8.565 8.212 1.00 0.00 N ATOM 701 CA ALA A 47 7.441 9.396 7.301 1.00 0.00 C ATOM 702 C ALA A 47 6.952 8.588 6.104 1.00 0.00 C ATOM 703 O ALA A 47 5.767 8.610 5.769 1.00 0.00 O ATOM 704 CB ALA A 47 8.269 10.585 6.834 1.00 0.00 C ATOM 0 H ALA A 47 9.215 8.781 8.234 1.00 0.00 H new ATOM 0 HA ALA A 47 6.568 9.764 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.676 11.197 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.565 11.183 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.160 10.228 6.317 1.00 0.00 H new ATOM 710 N LYS A 48 7.871 7.875 5.461 1.00 0.00 N ATOM 711 CA LYS A 48 7.534 7.059 4.301 1.00 0.00 C ATOM 712 C LYS A 48 6.334 6.164 4.596 1.00 0.00 C ATOM 713 O LYS A 48 5.334 6.194 3.878 1.00 0.00 O ATOM 714 CB LYS A 48 8.733 6.202 3.888 1.00 0.00 C ATOM 715 CG LYS A 48 9.803 6.975 3.137 1.00 0.00 C ATOM 716 CD LYS A 48 9.344 7.346 1.737 1.00 0.00 C ATOM 717 CE LYS A 48 9.417 6.156 0.793 1.00 0.00 C ATOM 718 NZ LYS A 48 9.125 6.545 -0.614 1.00 0.00 N ATOM 0 H LYS A 48 8.856 7.846 5.724 1.00 0.00 H new ATOM 0 HA LYS A 48 7.274 7.728 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.176 5.758 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.384 5.381 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.055 7.880 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.711 6.375 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.321 7.719 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.964 8.156 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.410 5.710 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.707 5.394 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.185 5.706 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.168 6.948 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.818 7.253 -0.929 1.00 0.00 H new ATOM 732 N PHE A 49 6.439 5.370 5.656 1.00 0.00 N ATOM 733 CA PHE A 49 5.363 4.468 6.046 1.00 0.00 C ATOM 734 C PHE A 49 4.041 5.220 6.173 1.00 0.00 C ATOM 735 O PHE A 49 2.983 4.702 5.819 1.00 0.00 O ATOM 736 CB PHE A 49 5.700 3.779 7.370 1.00 0.00 C ATOM 737 CG PHE A 49 4.579 2.939 7.911 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.437 1.616 7.523 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.667 3.471 8.808 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.406 0.841 8.018 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.634 2.700 9.307 1.00 0.00 C ATOM 742 CZ PHE A 49 2.504 1.383 8.913 1.00 0.00 C ATOM 0 H PHE A 49 7.260 5.333 6.261 1.00 0.00 H new ATOM 0 HA PHE A 49 5.257 3.712 5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.579 3.150 7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.964 4.537 8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.141 1.186 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.764 4.500 9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.305 -0.188 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.929 3.127 10.005 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.699 0.778 9.304 1.00 0.00 H new ATOM 752 N ARG A 50 4.112 6.446 6.682 1.00 0.00 N ATOM 753 CA ARG A 50 2.922 7.270 6.858 1.00 0.00 C ATOM 754 C ARG A 50 2.172 7.430 5.539 1.00 0.00 C ATOM 755 O ARG A 50 0.978 7.726 5.526 1.00 0.00 O ATOM 756 CB ARG A 50 3.305 8.644 7.410 1.00 0.00 C ATOM 757 CG ARG A 50 2.151 9.376 8.077 1.00 0.00 C ATOM 758 CD ARG A 50 1.731 8.692 9.369 1.00 0.00 C ATOM 759 NE ARG A 50 0.779 9.498 10.130 1.00 0.00 N ATOM 760 CZ ARG A 50 0.218 9.095 11.264 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.511 7.904 11.767 1.00 0.00 N ATOM 762 NH2 ARG A 50 -0.639 9.885 11.899 1.00 0.00 N ATOM 0 H ARG A 50 4.981 6.890 6.980 1.00 0.00 H new ATOM 0 HA ARG A 50 2.266 6.770 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.113 8.524 8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.692 9.258 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.444 10.405 8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.303 9.419 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.285 7.725 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.613 8.499 9.980 1.00 0.00 H new ATOM 0 HE ARG A 50 0.532 10.420 9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.169 7.294 11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.078 7.598 12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.867 10.802 11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.070 9.575 12.770 1.00 0.00 H new ATOM 776 N GLU A 51 2.882 7.234 4.433 1.00 0.00 N ATOM 777 CA GLU A 51 2.282 7.359 3.109 1.00 0.00 C ATOM 778 C GLU A 51 1.886 5.991 2.560 1.00 0.00 C ATOM 779 O GLU A 51 0.913 5.867 1.817 1.00 0.00 O ATOM 780 CB GLU A 51 3.255 8.044 2.147 1.00 0.00 C ATOM 781 CG GLU A 51 3.133 9.559 2.135 1.00 0.00 C ATOM 782 CD GLU A 51 1.935 10.041 1.340 1.00 0.00 C ATOM 783 OE1 GLU A 51 0.828 10.102 1.914 1.00 0.00 O ATOM 784 OE2 GLU A 51 2.106 10.358 0.144 1.00 0.00 O ATOM 0 H GLU A 51 3.872 6.988 4.427 1.00 0.00 H new ATOM 0 HA GLU A 51 1.383 7.969 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.275 7.772 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.083 7.666 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.054 9.922 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.041 9.990 1.714 1.00 0.00 H new ATOM 791 N ILE A 52 2.648 4.967 2.932 1.00 0.00 N ATOM 792 CA ILE A 52 2.376 3.609 2.478 1.00 0.00 C ATOM 793 C ILE A 52 1.070 3.084 3.065 1.00 0.00 C ATOM 794 O ILE A 52 0.259 2.484 2.361 1.00 0.00 O ATOM 795 CB ILE A 52 3.519 2.650 2.858 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.875 3.299 2.574 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.384 1.338 2.099 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.038 2.335 2.666 1.00 0.00 C ATOM 0 H ILE A 52 3.458 5.052 3.546 1.00 0.00 H new ATOM 0 HA ILE A 52 2.292 3.650 1.392 1.00 0.00 H new ATOM 0 HB ILE A 52 3.456 2.438 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.856 3.739 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.033 4.115 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.199 0.671 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.431 0.871 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.425 1.532 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.967 2.864 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.083 1.914 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.903 1.532 1.941 1.00 0.00 H new ATOM 810 N ALA A 53 0.874 3.316 4.359 1.00 0.00 N ATOM 811 CA ALA A 53 -0.335 2.870 5.040 1.00 0.00 C ATOM 812 C ALA A 53 -1.570 3.565 4.478 1.00 0.00 C ATOM 813 O ALA A 53 -2.420 2.930 3.854 1.00 0.00 O ATOM 814 CB ALA A 53 -0.221 3.121 6.537 1.00 0.00 C ATOM 0 H ALA A 53 1.537 3.810 4.956 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.444 1.799 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.131 2.783 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.633 2.573 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.084 4.187 6.718 1.00 0.00 H new ATOM 820 N GLU A 54 -1.663 4.872 4.704 1.00 0.00 N ATOM 821 CA GLU A 54 -2.796 5.651 4.220 1.00 0.00 C ATOM 822 C GLU A 54 -3.198 5.213 2.815 1.00 0.00 C ATOM 823 O GLU A 54 -4.383 5.125 2.496 1.00 0.00 O ATOM 824 CB GLU A 54 -2.456 7.143 4.223 1.00 0.00 C ATOM 825 CG GLU A 54 -3.610 8.032 3.791 1.00 0.00 C ATOM 826 CD GLU A 54 -3.548 9.413 4.415 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.506 10.084 4.265 1.00 0.00 O ATOM 828 OE2 GLU A 54 -4.541 9.821 5.052 1.00 0.00 O ATOM 0 H GLU A 54 -0.968 5.413 5.219 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.637 5.476 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.141 7.433 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.608 7.315 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.603 8.127 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.552 7.556 4.064 1.00 0.00 H new ATOM 835 N ALA A 55 -2.201 4.940 1.979 1.00 0.00 N ATOM 836 CA ALA A 55 -2.450 4.510 0.608 1.00 0.00 C ATOM 837 C ALA A 55 -3.237 3.204 0.577 1.00 0.00 C ATOM 838 O ALA A 55 -4.193 3.062 -0.186 1.00 0.00 O ATOM 839 CB ALA A 55 -1.135 4.354 -0.142 1.00 0.00 C ATOM 0 H ALA A 55 -1.214 5.009 2.227 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.049 5.276 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.335 4.033 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.610 5.309 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.517 3.608 0.358 1.00 0.00 H new ATOM 845 N TYR A 56 -2.829 2.253 1.410 1.00 0.00 N ATOM 846 CA TYR A 56 -3.494 0.957 1.475 1.00 0.00 C ATOM 847 C TYR A 56 -4.888 1.091 2.080 1.00 0.00 C ATOM 848 O TYR A 56 -5.885 0.731 1.454 1.00 0.00 O ATOM 849 CB TYR A 56 -2.661 -0.026 2.298 1.00 0.00 C ATOM 850 CG TYR A 56 -3.381 -1.320 2.606 1.00 0.00 C ATOM 851 CD1 TYR A 56 -4.167 -1.446 3.745 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.276 -2.415 1.757 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.826 -2.627 4.030 1.00 0.00 C ATOM 854 CE2 TYR A 56 -3.933 -3.599 2.034 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.706 -3.700 3.172 1.00 0.00 C ATOM 856 OH TYR A 56 -5.362 -4.876 3.452 1.00 0.00 O ATOM 0 H TYR A 56 -2.041 2.355 2.050 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.593 0.576 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.742 -0.251 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.372 0.451 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.265 -0.607 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.671 -2.340 0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.432 -2.709 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.842 -4.440 1.363 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.376 -5.441 2.652 1.00 0.00 H new ATOM 866 N GLU A 57 -4.949 1.611 3.302 1.00 0.00 N ATOM 867 CA GLU A 57 -6.220 1.792 3.992 1.00 0.00 C ATOM 868 C GLU A 57 -7.329 2.149 3.006 1.00 0.00 C ATOM 869 O GLU A 57 -8.404 1.548 3.018 1.00 0.00 O ATOM 870 CB GLU A 57 -6.098 2.886 5.055 1.00 0.00 C ATOM 871 CG GLU A 57 -5.043 2.595 6.109 1.00 0.00 C ATOM 872 CD GLU A 57 -5.420 1.433 7.007 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.520 1.475 7.598 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.617 0.484 7.120 1.00 0.00 O ATOM 0 H GLU A 57 -4.133 1.914 3.834 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.477 0.850 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.860 3.831 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.063 3.014 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.095 2.377 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.889 3.485 6.719 1.00 0.00 H new ATOM 881 N THR A 58 -7.060 3.131 2.151 1.00 0.00 N ATOM 882 CA THR A 58 -8.033 3.569 1.159 1.00 0.00 C ATOM 883 C THR A 58 -8.288 2.483 0.121 1.00 0.00 C ATOM 884 O THR A 58 -9.436 2.151 -0.177 1.00 0.00 O ATOM 885 CB THR A 58 -7.567 4.850 0.442 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.187 5.840 1.404 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.667 5.401 -0.453 1.00 0.00 C ATOM 0 H THR A 58 -6.175 3.638 2.126 1.00 0.00 H new ATOM 0 HA THR A 58 -8.958 3.778 1.696 1.00 0.00 H new ATOM 0 HB THR A 58 -6.707 4.599 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.563 6.474 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.314 6.305 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.933 4.656 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.543 5.636 0.151 1.00 0.00 H new ATOM 895 N LEU A 59 -7.211 1.931 -0.427 1.00 0.00 N ATOM 896 CA LEU A 59 -7.317 0.880 -1.433 1.00 0.00 C ATOM 897 C LEU A 59 -7.632 -0.464 -0.785 1.00 0.00 C ATOM 898 O LEU A 59 -7.649 -1.498 -1.453 1.00 0.00 O ATOM 899 CB LEU A 59 -6.018 0.780 -2.235 1.00 0.00 C ATOM 900 CG LEU A 59 -5.510 2.083 -2.854 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.187 1.854 -3.567 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.543 2.656 -3.813 1.00 0.00 C ATOM 0 H LEU A 59 -6.254 2.194 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.134 1.138 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.241 0.384 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.163 0.053 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.348 2.805 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.841 2.792 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.448 1.489 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.323 1.116 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.165 3.583 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.737 1.938 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.468 2.858 -3.273 1.00 0.00 H new ATOM 914 N SER A 60 -7.884 -0.442 0.520 1.00 0.00 N ATOM 915 CA SER A 60 -8.197 -1.659 1.260 1.00 0.00 C ATOM 916 C SER A 60 -9.706 -1.856 1.367 1.00 0.00 C ATOM 917 O SER A 60 -10.221 -2.943 1.108 1.00 0.00 O ATOM 918 CB SER A 60 -7.577 -1.606 2.657 1.00 0.00 C ATOM 919 OG SER A 60 -7.796 -2.817 3.359 1.00 0.00 O ATOM 0 H SER A 60 -7.877 0.406 1.087 1.00 0.00 H new ATOM 0 HA SER A 60 -7.775 -2.504 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.506 -1.418 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.006 -0.775 3.217 1.00 0.00 H new ATOM 0 HG SER A 60 -6.936 -3.190 3.645 1.00 0.00 H new ATOM 925 N ASP A 61 -10.408 -0.796 1.752 1.00 0.00 N ATOM 926 CA ASP A 61 -11.859 -0.850 1.893 1.00 0.00 C ATOM 927 C ASP A 61 -12.542 -0.739 0.534 1.00 0.00 C ATOM 928 O ASP A 61 -11.965 -0.220 -0.421 1.00 0.00 O ATOM 929 CB ASP A 61 -12.345 0.270 2.815 1.00 0.00 C ATOM 930 CG ASP A 61 -12.389 -0.156 4.269 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.435 -0.822 4.722 1.00 0.00 O ATOM 932 OD2 ASP A 61 -13.379 0.177 4.954 1.00 0.00 O ATOM 0 H ASP A 61 -9.996 0.111 1.972 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.121 -1.812 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.687 1.133 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.339 0.588 2.502 1.00 0.00 H new ATOM 937 N ALA A 62 -13.774 -1.232 0.454 1.00 0.00 N ATOM 938 CA ALA A 62 -14.536 -1.187 -0.787 1.00 0.00 C ATOM 939 C ALA A 62 -15.015 0.229 -1.087 1.00 0.00 C ATOM 940 O ALA A 62 -14.577 0.852 -2.053 1.00 0.00 O ATOM 941 CB ALA A 62 -15.718 -2.142 -0.716 1.00 0.00 C ATOM 0 H ALA A 62 -14.265 -1.667 1.235 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.879 -1.499 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.278 -2.098 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.356 -3.158 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.368 -1.856 0.111 1.00 0.00 H new ATOM 947 N ASN A 63 -15.918 0.732 -0.252 1.00 0.00 N ATOM 948 CA ASN A 63 -16.458 2.076 -0.428 1.00 0.00 C ATOM 949 C ASN A 63 -15.336 3.099 -0.572 1.00 0.00 C ATOM 950 O ASN A 63 -15.374 3.959 -1.452 1.00 0.00 O ATOM 951 CB ASN A 63 -17.354 2.448 0.755 1.00 0.00 C ATOM 952 CG ASN A 63 -18.210 1.285 1.220 1.00 0.00 C ATOM 953 OD1 ASN A 63 -19.257 1.000 0.639 1.00 0.00 O ATOM 954 ND2 ASN A 63 -17.766 0.608 2.273 1.00 0.00 N ATOM 0 H ASN A 63 -16.292 0.230 0.553 1.00 0.00 H new ATOM 0 HA ASN A 63 -17.052 2.084 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.734 2.793 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.999 3.280 0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.299 -0.184 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.892 0.880 2.723 1.00 0.00 H new ATOM 961 N ARG A 64 -14.336 2.998 0.299 1.00 0.00 N ATOM 962 CA ARG A 64 -13.203 3.915 0.270 1.00 0.00 C ATOM 963 C ARG A 64 -12.539 3.916 -1.104 1.00 0.00 C ATOM 964 O ARG A 64 -12.429 4.958 -1.750 1.00 0.00 O ATOM 965 CB ARG A 64 -12.181 3.530 1.341 1.00 0.00 C ATOM 966 CG ARG A 64 -12.623 3.870 2.755 1.00 0.00 C ATOM 967 CD ARG A 64 -11.480 3.723 3.747 1.00 0.00 C ATOM 968 NE ARG A 64 -11.658 4.578 4.918 1.00 0.00 N ATOM 969 CZ ARG A 64 -10.799 4.627 5.929 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.707 3.876 5.913 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.031 5.430 6.960 1.00 0.00 N ATOM 0 H ARG A 64 -14.288 2.291 1.033 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.575 4.919 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.987 2.459 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.239 4.038 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.001 4.892 2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.446 3.217 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.408 2.683 4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.539 3.972 3.256 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.488 5.170 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.525 3.258 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.049 3.916 6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.870 6.010 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.370 5.467 7.736 1.00 0.00 H new ATOM 985 N ARG A 65 -12.100 2.741 -1.544 1.00 0.00 N ATOM 986 CA ARG A 65 -11.446 2.607 -2.840 1.00 0.00 C ATOM 987 C ARG A 65 -12.396 2.992 -3.971 1.00 0.00 C ATOM 988 O ARG A 65 -11.973 3.525 -4.997 1.00 0.00 O ATOM 989 CB ARG A 65 -10.953 1.173 -3.041 1.00 0.00 C ATOM 990 CG ARG A 65 -10.410 0.904 -4.435 1.00 0.00 C ATOM 991 CD ARG A 65 -10.573 -0.556 -4.824 1.00 0.00 C ATOM 992 NE ARG A 65 -9.583 -0.973 -5.813 1.00 0.00 N ATOM 993 CZ ARG A 65 -9.664 -2.106 -6.502 1.00 0.00 C ATOM 994 NH1 ARG A 65 -10.684 -2.931 -6.311 1.00 0.00 N ATOM 995 NH2 ARG A 65 -8.722 -2.416 -7.385 1.00 0.00 N ATOM 0 H ARG A 65 -12.185 1.869 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.592 3.284 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.173 0.960 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.774 0.484 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.930 1.534 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.355 1.177 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.482 -1.180 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.574 -0.715 -5.224 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.785 -0.361 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.410 -2.697 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.743 -3.800 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.935 -1.784 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.785 -3.286 -7.914 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.681 2.718 -3.776 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.692 3.036 -4.778 1.00 0.00 C ATOM 1011 C LYS A 66 -14.744 4.537 -5.041 1.00 0.00 C ATOM 1012 O LYS A 66 -14.934 4.971 -6.177 1.00 0.00 O ATOM 1013 CB LYS A 66 -16.066 2.540 -4.321 1.00 0.00 C ATOM 1014 CG LYS A 66 -17.204 2.986 -5.221 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.499 2.267 -4.882 1.00 0.00 C ATOM 1016 CE LYS A 66 -19.714 3.110 -5.236 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.933 2.275 -5.424 1.00 0.00 N ATOM 0 H LYS A 66 -14.048 2.276 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.420 2.532 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.054 1.451 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.253 2.897 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.347 4.062 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.942 2.794 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.542 1.320 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.517 2.030 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.892 3.840 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.513 3.671 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.739 2.887 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.773 1.595 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.140 1.759 -4.545 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.573 5.325 -3.984 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.600 6.778 -4.103 1.00 0.00 C ATOM 1033 C GLU A 67 -13.267 7.306 -4.626 1.00 0.00 C ATOM 1034 O GLU A 67 -13.230 8.171 -5.502 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.918 7.417 -2.750 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.231 6.945 -2.147 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.881 7.995 -1.268 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -17.501 8.928 -1.820 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -16.770 7.884 -0.030 1.00 0.00 O ATOM 0 H GLU A 67 -14.414 4.982 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.381 7.044 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.108 7.196 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.951 8.500 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.917 6.673 -2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.053 6.044 -1.559 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.175 6.781 -4.082 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.840 7.201 -4.490 1.00 0.00 C ATOM 1048 C TYR A 68 -10.599 6.894 -5.965 1.00 0.00 C ATOM 1049 O TYR A 68 -9.707 7.465 -6.593 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.779 6.505 -3.634 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.363 6.766 -4.094 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.806 8.036 -4.006 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.582 5.743 -4.618 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.513 8.280 -4.426 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.287 5.977 -5.038 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.757 7.247 -4.941 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.468 7.484 -5.360 1.00 0.00 O ATOM 0 H TYR A 68 -12.188 6.064 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.766 8.279 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.883 6.836 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.963 5.431 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.394 8.847 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.994 4.748 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.096 9.274 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.693 5.170 -5.440 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.165 8.349 -5.013 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.402 5.988 -6.512 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.280 5.605 -7.914 1.00 0.00 C ATOM 1069 C ASP A 69 -12.253 6.397 -8.781 1.00 0.00 C ATOM 1070 O ASP A 69 -11.915 6.819 -9.888 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.534 4.106 -8.080 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.780 3.516 -9.255 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -11.262 3.655 -10.399 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.708 2.916 -9.032 1.00 0.00 O ATOM 0 H ASP A 69 -12.144 5.505 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.265 5.832 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.241 3.588 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.602 3.934 -8.215 1.00 0.00 H new ATOM 1079 N THR A 70 -13.465 6.596 -8.272 1.00 0.00 N ATOM 1080 CA THR A 70 -14.488 7.336 -9.000 1.00 0.00 C ATOM 1081 C THR A 70 -14.239 8.837 -8.925 1.00 0.00 C ATOM 1082 O THR A 70 -14.695 9.596 -9.782 1.00 0.00 O ATOM 1083 CB THR A 70 -15.896 7.033 -8.453 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.879 7.290 -9.461 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.192 7.877 -7.222 1.00 0.00 C ATOM 0 H THR A 70 -13.762 6.255 -7.358 1.00 0.00 H new ATOM 0 HA THR A 70 -14.432 7.013 -10.040 1.00 0.00 H new ATOM 0 HB THR A 70 -15.933 5.981 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.771 7.093 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.192 7.646 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.459 7.657 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.137 8.934 -7.484 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.512 9.262 -7.897 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.201 10.675 -7.711 1.00 0.00 C ATOM 1095 C LEU A 71 -11.757 10.970 -8.103 1.00 0.00 C ATOM 1096 O LEU A 71 -11.489 11.874 -8.894 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.441 11.083 -6.257 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.859 10.870 -5.725 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.868 10.897 -4.205 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.802 11.925 -6.285 1.00 0.00 C ATOM 0 H LEU A 71 -13.127 8.648 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.859 11.255 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.750 10.525 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.189 12.138 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.207 9.890 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.885 10.744 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.224 10.104 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.501 11.862 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.807 11.758 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.458 12.916 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.818 11.858 -7.373 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.828 10.199 -7.544 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.422 10.393 -7.849 1.00 0.00 C ATOM 1114 C GLY A 72 -8.587 10.627 -6.606 1.00 0.00 C ATOM 1115 O GLY A 72 -8.888 10.094 -5.537 1.00 0.00 O ATOM 0 H GLY A 72 -11.024 9.444 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.044 9.518 -8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.313 11.244 -8.522 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.533 11.425 -6.744 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.650 11.727 -5.623 1.00 0.00 C ATOM 1121 C HIS A 73 -6.753 13.198 -5.232 1.00 0.00 C ATOM 1122 O HIS A 73 -6.461 13.570 -4.096 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.203 11.382 -5.979 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.209 11.847 -4.959 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.768 11.053 -3.921 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.568 13.031 -4.824 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -2.901 11.729 -3.190 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.761 12.933 -3.717 1.00 0.00 N ATOM 0 H HIS A 73 -7.270 11.874 -7.621 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.962 11.120 -4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.114 10.302 -6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.958 11.828 -6.943 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.672 13.893 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.393 11.361 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.153 13.670 -3.360 1.00 0.00 H new ATOM 1136 N SER A 74 -7.169 14.030 -6.181 1.00 0.00 N ATOM 1137 CA SER A 74 -7.306 15.461 -5.937 1.00 0.00 C ATOM 1138 C SER A 74 -8.748 15.817 -5.585 1.00 0.00 C ATOM 1139 O SER A 74 -9.006 16.810 -4.906 1.00 0.00 O ATOM 1140 CB SER A 74 -6.859 16.255 -7.166 1.00 0.00 C ATOM 1141 OG SER A 74 -7.788 16.119 -8.228 1.00 0.00 O ATOM 0 H SER A 74 -7.417 13.738 -7.126 1.00 0.00 H new ATOM 0 HA SER A 74 -6.669 15.723 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.753 17.308 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.878 15.907 -7.490 1.00 0.00 H new ATOM 0 HG SER A 74 -7.480 16.637 -9.001 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.684 14.998 -6.054 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.099 15.223 -5.788 1.00 0.00 C ATOM 1149 C ALA A 75 -11.541 14.500 -4.521 1.00 0.00 C ATOM 1150 O ALA A 75 -12.173 15.092 -3.645 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.937 14.772 -6.975 1.00 0.00 C ATOM 0 H ALA A 75 -9.487 14.173 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.249 16.292 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.992 14.946 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.647 15.337 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.773 13.709 -7.153 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.206 13.217 -4.429 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.571 12.413 -3.269 1.00 0.00 C ATOM 1159 C PHE A 76 -11.138 13.096 -1.975 1.00 0.00 C ATOM 1160 O PHE A 76 -11.970 13.477 -1.151 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.934 11.025 -3.364 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.998 10.247 -2.080 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.979 10.343 -1.146 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.076 9.420 -1.809 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.035 9.629 0.037 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.137 8.704 -0.628 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.115 8.808 0.295 1.00 0.00 C ATOM 0 H PHE A 76 -10.682 12.712 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.656 12.308 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.434 10.457 -4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.891 11.132 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.132 10.983 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.877 9.334 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.235 9.713 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.983 8.064 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.160 8.248 1.217 1.00 0.00 H new ATOM 1177 N THR A 77 -9.828 13.249 -1.803 1.00 0.00 N ATOM 1178 CA THR A 77 -9.283 13.885 -0.611 1.00 0.00 C ATOM 1179 C THR A 77 -8.788 15.294 -0.916 1.00 0.00 C ATOM 1180 O THR A 77 -7.584 15.547 -0.940 1.00 0.00 O ATOM 1181 CB THR A 77 -8.123 13.063 -0.017 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.529 13.773 1.076 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.068 12.774 -1.074 1.00 0.00 C ATOM 0 H THR A 77 -9.125 12.941 -2.475 1.00 0.00 H new ATOM 0 HA THR A 77 -10.092 13.938 0.117 1.00 0.00 H new ATOM 0 HB THR A 77 -8.524 12.115 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.043 14.553 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.259 12.193 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.517 12.208 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.671 13.714 -1.458 1.00 0.00 H new ATOM 1191 N SER A 78 -9.725 16.208 -1.147 1.00 0.00 N ATOM 1192 CA SER A 78 -9.384 17.592 -1.454 1.00 0.00 C ATOM 1193 C SER A 78 -9.360 18.439 -0.186 1.00 0.00 C ATOM 1194 O SER A 78 -9.881 18.036 0.854 1.00 0.00 O ATOM 1195 CB SER A 78 -10.383 18.176 -2.453 1.00 0.00 C ATOM 1196 OG SER A 78 -9.808 19.246 -3.184 1.00 0.00 O ATOM 0 H SER A 78 -10.726 16.015 -1.127 1.00 0.00 H new ATOM 0 HA SER A 78 -8.389 17.605 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.712 17.397 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.268 18.528 -1.923 1.00 0.00 H new ATOM 0 HG SER A 78 -9.352 18.893 -3.976 1.00 0.00 H new ATOM 1202 N GLY A 79 -8.752 19.618 -0.280 1.00 0.00 N ATOM 1203 CA GLY A 79 -8.672 20.505 0.866 1.00 0.00 C ATOM 1204 C GLY A 79 -7.348 20.391 1.596 1.00 0.00 C ATOM 1205 O GLY A 79 -6.790 21.391 2.047 1.00 0.00 O ATOM 0 H GLY A 79 -8.314 19.974 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.814 21.534 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.485 20.277 1.556 1.00 0.00 H new ATOM 1209 N LYS A 80 -6.844 19.167 1.715 1.00 0.00 N ATOM 1210 CA LYS A 80 -5.578 18.924 2.395 1.00 0.00 C ATOM 1211 C LYS A 80 -4.412 19.502 1.599 1.00 0.00 C ATOM 1212 O LYS A 80 -3.658 20.334 2.100 1.00 0.00 O ATOM 1213 CB LYS A 80 -5.370 17.423 2.608 1.00 0.00 C ATOM 1214 CG LYS A 80 -6.147 16.862 3.786 1.00 0.00 C ATOM 1215 CD LYS A 80 -5.518 17.261 5.110 1.00 0.00 C ATOM 1216 CE LYS A 80 -6.508 17.136 6.258 1.00 0.00 C ATOM 1217 NZ LYS A 80 -5.990 17.759 7.508 1.00 0.00 N ATOM 0 H LYS A 80 -7.294 18.328 1.349 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.614 19.421 3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.665 16.892 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.308 17.230 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.176 17.220 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.185 15.775 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.650 16.631 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.159 18.288 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.449 17.610 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.723 16.083 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.694 17.653 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.105 17.290 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.809 18.770 7.343 1.00 0.00 H new ATOM 1231 N GLY A 81 -4.272 19.055 0.355 1.00 0.00 N ATOM 1232 CA GLY A 81 -3.197 19.540 -0.491 1.00 0.00 C ATOM 1233 C GLY A 81 -1.863 18.903 -0.154 1.00 0.00 C ATOM 1234 O GLY A 81 -1.778 17.691 0.038 1.00 0.00 O ATOM 0 H GLY A 81 -4.884 18.366 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.440 19.337 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.116 20.622 -0.387 1.00 0.00 H new ATOM 1238 N GLN A 82 -0.819 19.723 -0.085 1.00 0.00 N ATOM 1239 CA GLN A 82 0.518 19.232 0.228 1.00 0.00 C ATOM 1240 C GLN A 82 1.390 20.349 0.792 1.00 0.00 C ATOM 1241 O GLN A 82 1.219 21.518 0.446 1.00 0.00 O ATOM 1242 CB GLN A 82 1.172 18.640 -1.021 1.00 0.00 C ATOM 1243 CG GLN A 82 1.577 19.683 -2.050 1.00 0.00 C ATOM 1244 CD GLN A 82 1.802 19.090 -3.426 1.00 0.00 C ATOM 1245 OE1 GLN A 82 1.019 18.262 -3.893 1.00 0.00 O ATOM 1246 NE2 GLN A 82 2.875 19.512 -4.085 1.00 0.00 N ATOM 0 H GLN A 82 -0.873 20.729 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 82 0.424 18.453 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.054 18.073 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.481 17.935 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.803 20.448 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.489 20.179 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.497 20.200 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.077 19.149 -5.016 1.00 0.00 H new ATOM 1255 N SER A 83 2.325 19.981 1.662 1.00 0.00 N ATOM 1256 CA SER A 83 3.221 20.953 2.277 1.00 0.00 C ATOM 1257 C SER A 83 4.193 21.523 1.249 1.00 0.00 C ATOM 1258 O SER A 83 4.151 22.711 0.931 1.00 0.00 O ATOM 1259 CB SER A 83 3.998 20.306 3.426 1.00 0.00 C ATOM 1260 OG SER A 83 3.161 20.083 4.547 1.00 0.00 O ATOM 0 H SER A 83 2.482 19.017 1.957 1.00 0.00 H new ATOM 0 HA SER A 83 2.616 21.770 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.425 19.360 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.831 20.948 3.712 1.00 0.00 H new ATOM 0 HG SER A 83 3.681 19.667 5.266 1.00 0.00 H new ATOM 1266 N GLY A 84 5.068 20.666 0.731 1.00 0.00 N ATOM 1267 CA GLY A 84 6.038 21.102 -0.256 1.00 0.00 C ATOM 1268 C GLY A 84 7.360 20.372 -0.131 1.00 0.00 C ATOM 1269 O GLY A 84 8.303 20.853 0.498 1.00 0.00 O ATOM 0 H GLY A 84 5.122 19.678 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.632 20.943 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.206 22.173 -0.147 1.00 0.00 H new ATOM 1273 N PRO A 85 7.442 19.180 -0.740 1.00 0.00 N ATOM 1274 CA PRO A 85 8.654 18.356 -0.708 1.00 0.00 C ATOM 1275 C PRO A 85 9.789 18.961 -1.526 1.00 0.00 C ATOM 1276 O PRO A 85 9.635 20.024 -2.128 1.00 0.00 O ATOM 1277 CB PRO A 85 8.199 17.031 -1.324 1.00 0.00 C ATOM 1278 CG PRO A 85 7.043 17.394 -2.191 1.00 0.00 C ATOM 1279 CD PRO A 85 6.358 18.545 -1.508 1.00 0.00 C ATOM 0 HA PRO A 85 9.053 18.258 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.998 16.568 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.908 16.316 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.377 17.676 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.364 16.550 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.918 19.235 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.551 18.205 -0.859 1.00 0.00 H new ATOM 1287 N SER A 86 10.930 18.279 -1.543 1.00 0.00 N ATOM 1288 CA SER A 86 12.092 18.752 -2.285 1.00 0.00 C ATOM 1289 C SER A 86 11.982 18.382 -3.761 1.00 0.00 C ATOM 1290 O SER A 86 11.449 17.329 -4.111 1.00 0.00 O ATOM 1291 CB SER A 86 13.375 18.163 -1.695 1.00 0.00 C ATOM 1292 OG SER A 86 14.471 19.044 -1.875 1.00 0.00 O ATOM 0 H SER A 86 11.074 17.397 -1.051 1.00 0.00 H new ATOM 0 HA SER A 86 12.127 19.838 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.233 17.966 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.592 17.206 -2.170 1.00 0.00 H new ATOM 0 HG SER A 86 15.278 18.645 -1.488 1.00 0.00 H new ATOM 1298 N SER A 87 12.490 19.257 -4.624 1.00 0.00 N ATOM 1299 CA SER A 87 12.446 19.025 -6.063 1.00 0.00 C ATOM 1300 C SER A 87 13.815 19.263 -6.694 1.00 0.00 C ATOM 1301 O SER A 87 14.643 19.992 -6.150 1.00 0.00 O ATOM 1302 CB SER A 87 11.405 19.937 -6.716 1.00 0.00 C ATOM 1303 OG SER A 87 11.068 19.478 -8.013 1.00 0.00 O ATOM 0 H SER A 87 12.937 20.133 -4.351 1.00 0.00 H new ATOM 0 HA SER A 87 12.164 17.985 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.509 19.974 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.794 20.954 -6.776 1.00 0.00 H new ATOM 0 HG SER A 87 11.131 18.500 -8.041 1.00 0.00 H new ATOM 1309 N GLY A 88 14.045 18.642 -7.846 1.00 0.00 N ATOM 1310 CA GLY A 88 15.313 18.798 -8.533 1.00 0.00 C ATOM 1311 C GLY A 88 16.321 17.737 -8.137 1.00 0.00 C ATOM 1312 O GLY A 88 17.530 17.960 -8.213 1.00 0.00 O ATOM 0 H GLY A 88 13.375 18.033 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.147 18.754 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.723 19.784 -8.314 1.00 0.00 H new TER 1316 GLY A 88