USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=29 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot -16:sc= 0.766 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -0.964 K(o=-0.2,f=-1.8) USER MOD Set 2.1: A 56 TYR OH : rot 165:sc= 0.6 USER MOD Set 2.2: A 60 SER OG : rot 89:sc= 1.91 USER MOD Set 3.1: A 40 ASN : amide:sc= -0.505 K(o=-2.6,f=-7.1) USER MOD Set 3.2: A 42 SER OG : rot -109:sc= -2.06! 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 16:sc= 0.905 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -169:sc= 0.941 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.75 (180deg=-0.879) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 23 GLN :FLIP amide:sc= -1.58 F(o=-2.3!,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0672) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.028) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.0825 (180deg=-0.453) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.0107 (180deg=-0.159) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 157:sc= 0.281 USER MOD Single : A 63 ASN :FLIP amide:sc= 0.153 F(o=-1.3!,f=0.15) 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 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -118:sc= 1.11 USER MOD Single : A 78 SER OG : rot 87:sc= 0.901 USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -0.0752 (180deg=-1.17) USER MOD Single : A 82 GLN : amide:sc= -0.148 K(o=-0.15,f=-6.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.161 19.499 -16.783 1.00 0.00 N ATOM 2 CA GLY A 1 5.776 19.981 -15.469 1.00 0.00 C ATOM 3 C GLY A 1 4.971 18.960 -14.690 1.00 0.00 C ATOM 4 O GLY A 1 4.039 18.358 -15.222 1.00 0.00 O ATOM 0 H1 GLY A 1 6.709 20.233 -17.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.742 18.642 -16.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.308 19.276 -17.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.671 20.241 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.191 20.894 -15.577 1.00 0.00 H new ATOM 8 N SER A 2 5.333 18.764 -13.426 1.00 0.00 N ATOM 9 CA SER A 2 4.641 17.804 -12.573 1.00 0.00 C ATOM 10 C SER A 2 4.431 18.374 -11.174 1.00 0.00 C ATOM 11 O SER A 2 4.805 19.512 -10.892 1.00 0.00 O ATOM 12 CB SER A 2 5.434 16.498 -12.491 1.00 0.00 C ATOM 13 OG SER A 2 5.180 15.676 -13.617 1.00 0.00 O ATOM 0 H SER A 2 6.101 19.257 -12.970 1.00 0.00 H new ATOM 0 HA SER A 2 3.665 17.601 -13.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.500 16.719 -12.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.168 15.964 -11.579 1.00 0.00 H new ATOM 0 HG SER A 2 5.700 14.849 -13.542 1.00 0.00 H new ATOM 19 N SER A 3 3.829 17.573 -10.300 1.00 0.00 N ATOM 20 CA SER A 3 3.565 17.997 -8.930 1.00 0.00 C ATOM 21 C SER A 3 3.367 16.792 -8.016 1.00 0.00 C ATOM 22 O SER A 3 3.278 15.655 -8.479 1.00 0.00 O ATOM 23 CB SER A 3 2.328 18.896 -8.882 1.00 0.00 C ATOM 24 OG SER A 3 2.624 20.197 -9.360 1.00 0.00 O ATOM 0 H SER A 3 3.515 16.627 -10.517 1.00 0.00 H new ATOM 0 HA SER A 3 4.429 18.560 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.532 18.457 -9.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.958 18.957 -7.858 1.00 0.00 H new ATOM 0 HG SER A 3 3.469 20.179 -9.856 1.00 0.00 H new ATOM 30 N GLY A 4 3.300 17.049 -6.713 1.00 0.00 N ATOM 31 CA GLY A 4 3.114 15.976 -5.754 1.00 0.00 C ATOM 32 C GLY A 4 4.313 15.051 -5.679 1.00 0.00 C ATOM 33 O GLY A 4 4.408 14.085 -6.435 1.00 0.00 O ATOM 0 H GLY A 4 3.371 17.981 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.926 16.402 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.230 15.399 -6.026 1.00 0.00 H new ATOM 37 N SER A 5 5.231 15.348 -4.765 1.00 0.00 N ATOM 38 CA SER A 5 6.433 14.539 -4.598 1.00 0.00 C ATOM 39 C SER A 5 6.108 13.053 -4.718 1.00 0.00 C ATOM 40 O SER A 5 6.752 12.325 -5.473 1.00 0.00 O ATOM 41 CB SER A 5 7.079 14.823 -3.241 1.00 0.00 C ATOM 42 OG SER A 5 8.146 13.925 -2.986 1.00 0.00 O ATOM 0 H SER A 5 5.166 16.143 -4.129 1.00 0.00 H new ATOM 0 HA SER A 5 7.134 14.805 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.449 15.848 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.331 14.737 -2.453 1.00 0.00 H new ATOM 0 HG SER A 5 8.543 14.128 -2.113 1.00 0.00 H new ATOM 48 N SER A 6 5.104 12.610 -3.968 1.00 0.00 N ATOM 49 CA SER A 6 4.695 11.211 -3.986 1.00 0.00 C ATOM 50 C SER A 6 3.735 10.941 -5.141 1.00 0.00 C ATOM 51 O SER A 6 3.917 9.995 -5.906 1.00 0.00 O ATOM 52 CB SER A 6 4.035 10.833 -2.659 1.00 0.00 C ATOM 53 OG SER A 6 3.091 11.813 -2.262 1.00 0.00 O ATOM 0 H SER A 6 4.559 13.200 -3.340 1.00 0.00 H new ATOM 0 HA SER A 6 5.586 10.599 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.541 9.866 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.798 10.724 -1.888 1.00 0.00 H new ATOM 0 HG SER A 6 2.682 11.548 -1.412 1.00 0.00 H new ATOM 59 N GLY A 7 2.710 11.780 -5.258 1.00 0.00 N ATOM 60 CA GLY A 7 1.736 11.616 -6.321 1.00 0.00 C ATOM 61 C GLY A 7 0.454 10.966 -5.837 1.00 0.00 C ATOM 62 O GLY A 7 -0.274 11.541 -5.029 1.00 0.00 O ATOM 0 H GLY A 7 2.537 12.570 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.506 12.590 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.169 11.010 -7.117 1.00 0.00 H new ATOM 66 N SER A 8 0.177 9.765 -6.334 1.00 0.00 N ATOM 67 CA SER A 8 -1.028 9.039 -5.952 1.00 0.00 C ATOM 68 C SER A 8 -0.675 7.758 -5.202 1.00 0.00 C ATOM 69 O SER A 8 0.461 7.287 -5.254 1.00 0.00 O ATOM 70 CB SER A 8 -1.862 8.705 -7.190 1.00 0.00 C ATOM 71 OG SER A 8 -2.436 9.875 -7.749 1.00 0.00 O ATOM 0 H SER A 8 0.771 9.274 -7.002 1.00 0.00 H new ATOM 0 HA SER A 8 -1.613 9.678 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.235 8.213 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.650 8.001 -6.922 1.00 0.00 H new ATOM 0 HG SER A 8 -2.963 9.635 -8.540 1.00 0.00 H new ATOM 77 N TYR A 9 -1.658 7.198 -4.506 1.00 0.00 N ATOM 78 CA TYR A 9 -1.453 5.973 -3.743 1.00 0.00 C ATOM 79 C TYR A 9 -0.903 4.862 -4.633 1.00 0.00 C ATOM 80 O TYR A 9 0.168 4.315 -4.371 1.00 0.00 O ATOM 81 CB TYR A 9 -2.765 5.522 -3.098 1.00 0.00 C ATOM 82 CG TYR A 9 -3.389 6.567 -2.201 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.598 7.452 -1.478 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.769 6.669 -2.076 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.164 8.408 -0.657 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.343 7.623 -1.258 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.537 8.490 -0.551 1.00 0.00 C ATOM 88 OH TYR A 9 -5.105 9.441 0.266 1.00 0.00 O ATOM 0 H TYR A 9 -2.605 7.573 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.724 6.182 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.474 5.258 -3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.583 4.618 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.523 7.391 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.404 5.991 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.535 9.088 -0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.418 7.689 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.081 9.365 0.227 1.00 0.00 H new ATOM 98 N TYR A 10 -1.644 4.536 -5.686 1.00 0.00 N ATOM 99 CA TYR A 10 -1.233 3.490 -6.615 1.00 0.00 C ATOM 100 C TYR A 10 0.261 3.580 -6.910 1.00 0.00 C ATOM 101 O TYR A 10 0.918 2.569 -7.158 1.00 0.00 O ATOM 102 CB TYR A 10 -2.029 3.594 -7.917 1.00 0.00 C ATOM 103 CG TYR A 10 -3.516 3.383 -7.736 1.00 0.00 C ATOM 104 CD1 TYR A 10 -4.005 2.247 -7.103 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.431 4.321 -8.197 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.362 2.050 -6.937 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.790 4.133 -8.034 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.250 2.996 -7.404 1.00 0.00 C ATOM 109 OH TYR A 10 -7.603 2.804 -7.238 1.00 0.00 O ATOM 0 H TYR A 10 -2.532 4.981 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.435 2.525 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.861 4.576 -8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.649 2.857 -8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.312 1.505 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.074 5.212 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.725 1.160 -6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.488 4.872 -8.398 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.095 3.464 -7.770 1.00 0.00 H new ATOM 119 N ASP A 11 0.790 4.798 -6.882 1.00 0.00 N ATOM 120 CA ASP A 11 2.207 5.022 -7.145 1.00 0.00 C ATOM 121 C ASP A 11 3.045 4.715 -5.908 1.00 0.00 C ATOM 122 O ASP A 11 4.062 4.026 -5.991 1.00 0.00 O ATOM 123 CB ASP A 11 2.442 6.467 -7.590 1.00 0.00 C ATOM 124 CG ASP A 11 2.343 6.633 -9.094 1.00 0.00 C ATOM 125 OD1 ASP A 11 2.744 5.701 -9.821 1.00 0.00 O ATOM 126 OD2 ASP A 11 1.864 7.696 -9.543 1.00 0.00 O ATOM 0 H ASP A 11 0.259 5.645 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 11 2.514 4.349 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.712 7.116 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.427 6.791 -7.256 1.00 0.00 H new ATOM 131 N ILE A 12 2.611 5.231 -4.763 1.00 0.00 N ATOM 132 CA ILE A 12 3.321 5.011 -3.509 1.00 0.00 C ATOM 133 C ILE A 12 3.386 3.527 -3.167 1.00 0.00 C ATOM 134 O ILE A 12 4.439 3.011 -2.791 1.00 0.00 O ATOM 135 CB ILE A 12 2.654 5.766 -2.345 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.593 7.265 -2.647 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.407 5.513 -1.048 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.647 8.026 -1.746 1.00 0.00 C ATOM 0 H ILE A 12 1.772 5.804 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 12 4.332 5.394 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 12 1.635 5.396 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.593 7.688 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.287 7.406 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.923 6.054 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.403 4.446 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.436 5.858 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.656 9.081 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.638 7.630 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.965 7.916 -0.709 1.00 0.00 H new ATOM 150 N LEU A 13 2.255 2.844 -3.302 1.00 0.00 N ATOM 151 CA LEU A 13 2.182 1.417 -3.009 1.00 0.00 C ATOM 152 C LEU A 13 2.800 0.598 -4.138 1.00 0.00 C ATOM 153 O LEU A 13 3.393 -0.454 -3.903 1.00 0.00 O ATOM 154 CB LEU A 13 0.729 0.994 -2.792 1.00 0.00 C ATOM 155 CG LEU A 13 0.054 1.532 -1.530 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.438 1.238 -1.555 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.696 0.936 -0.286 1.00 0.00 C ATOM 0 H LEU A 13 1.375 3.256 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 13 2.748 1.229 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.146 1.313 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.689 -0.095 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 13 0.190 2.613 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.901 1.628 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.888 1.714 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.596 0.161 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.203 1.330 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.592 -0.149 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.753 1.199 -0.261 1.00 0.00 H new ATOM 169 N GLY A 14 2.657 1.089 -5.365 1.00 0.00 N ATOM 170 CA GLY A 14 3.208 0.391 -6.512 1.00 0.00 C ATOM 171 C GLY A 14 2.232 -0.604 -7.108 1.00 0.00 C ATOM 172 O GLY A 14 2.631 -1.668 -7.583 1.00 0.00 O ATOM 0 H GLY A 14 2.170 1.957 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.492 1.117 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.117 -0.131 -6.214 1.00 0.00 H new ATOM 176 N VAL A 15 0.948 -0.260 -7.083 1.00 0.00 N ATOM 177 CA VAL A 15 -0.088 -1.131 -7.624 1.00 0.00 C ATOM 178 C VAL A 15 -0.864 -0.436 -8.737 1.00 0.00 C ATOM 179 O VAL A 15 -0.926 0.791 -8.812 1.00 0.00 O ATOM 180 CB VAL A 15 -1.073 -1.580 -6.529 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.486 -2.725 -5.718 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.436 -0.409 -5.628 1.00 0.00 C ATOM 0 H VAL A 15 0.601 0.616 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 15 0.416 -2.008 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.984 -1.937 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.197 -3.028 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.281 -3.569 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.441 -2.399 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.133 -0.744 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.534 -0.020 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.902 0.377 -6.223 1.00 0.00 H new ATOM 192 N PRO A 16 -1.472 -1.237 -9.624 1.00 0.00 N ATOM 193 CA PRO A 16 -2.257 -0.721 -10.750 1.00 0.00 C ATOM 194 C PRO A 16 -3.560 -0.070 -10.297 1.00 0.00 C ATOM 195 O PRO A 16 -4.045 -0.327 -9.196 1.00 0.00 O ATOM 196 CB PRO A 16 -2.546 -1.971 -11.584 1.00 0.00 C ATOM 197 CG PRO A 16 -2.479 -3.099 -10.613 1.00 0.00 C ATOM 198 CD PRO A 16 -1.441 -2.709 -9.597 1.00 0.00 C ATOM 0 HA PRO A 16 -1.724 0.058 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.527 -1.913 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.814 -2.092 -12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.447 -3.264 -10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.206 -4.029 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.682 -3.098 -8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.456 -3.095 -9.860 1.00 0.00 H new ATOM 206 N LYS A 17 -4.123 0.774 -11.155 1.00 0.00 N ATOM 207 CA LYS A 17 -5.371 1.462 -10.845 1.00 0.00 C ATOM 208 C LYS A 17 -6.497 0.462 -10.604 1.00 0.00 C ATOM 209 O LYS A 17 -7.462 0.757 -9.899 1.00 0.00 O ATOM 210 CB LYS A 17 -5.751 2.410 -11.985 1.00 0.00 C ATOM 211 CG LYS A 17 -4.648 3.384 -12.360 1.00 0.00 C ATOM 212 CD LYS A 17 -4.268 4.274 -11.189 1.00 0.00 C ATOM 213 CE LYS A 17 -3.336 5.396 -11.621 1.00 0.00 C ATOM 214 NZ LYS A 17 -2.954 6.270 -10.478 1.00 0.00 N ATOM 0 H LYS A 17 -3.735 0.998 -12.071 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.222 2.041 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.018 1.821 -12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.639 2.973 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.772 2.830 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.976 4.002 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.169 4.698 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.785 3.675 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.438 4.970 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.822 5.996 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.507 7.137 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.804 6.519 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.284 5.765 -9.863 1.00 0.00 H new ATOM 228 N SER A 18 -6.367 -0.723 -11.193 1.00 0.00 N ATOM 229 CA SER A 18 -7.376 -1.765 -11.044 1.00 0.00 C ATOM 230 C SER A 18 -6.838 -2.926 -10.213 1.00 0.00 C ATOM 231 O SER A 18 -7.311 -4.056 -10.326 1.00 0.00 O ATOM 232 CB SER A 18 -7.824 -2.271 -12.417 1.00 0.00 C ATOM 233 OG SER A 18 -9.161 -2.738 -12.376 1.00 0.00 O ATOM 0 H SER A 18 -5.573 -0.985 -11.777 1.00 0.00 H new ATOM 0 HA SER A 18 -8.233 -1.335 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.738 -1.469 -13.150 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.165 -3.074 -12.745 1.00 0.00 H new ATOM 0 HG SER A 18 -9.424 -3.054 -13.265 1.00 0.00 H new ATOM 239 N ALA A 19 -5.845 -2.637 -9.377 1.00 0.00 N ATOM 240 CA ALA A 19 -5.244 -3.655 -8.525 1.00 0.00 C ATOM 241 C ALA A 19 -6.277 -4.263 -7.582 1.00 0.00 C ATOM 242 O ALA A 19 -7.115 -3.554 -7.025 1.00 0.00 O ATOM 243 CB ALA A 19 -4.087 -3.064 -7.733 1.00 0.00 C ATOM 0 H ALA A 19 -5.441 -1.706 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.863 -4.451 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.647 -3.835 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.332 -2.684 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.452 -2.248 -7.109 1.00 0.00 H new ATOM 249 N SER A 20 -6.211 -5.579 -7.408 1.00 0.00 N ATOM 250 CA SER A 20 -7.144 -6.282 -6.536 1.00 0.00 C ATOM 251 C SER A 20 -6.677 -6.229 -5.085 1.00 0.00 C ATOM 252 O SER A 20 -5.494 -6.027 -4.810 1.00 0.00 O ATOM 253 CB SER A 20 -7.295 -7.738 -6.982 1.00 0.00 C ATOM 254 OG SER A 20 -8.206 -8.435 -6.150 1.00 0.00 O ATOM 0 H SER A 20 -5.521 -6.180 -7.859 1.00 0.00 H new ATOM 0 HA SER A 20 -8.112 -5.786 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.643 -7.771 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.324 -8.232 -6.957 1.00 0.00 H new ATOM 0 HG SER A 20 -8.286 -9.362 -6.457 1.00 0.00 H new ATOM 260 N GLU A 21 -7.614 -6.411 -4.160 1.00 0.00 N ATOM 261 CA GLU A 21 -7.298 -6.384 -2.737 1.00 0.00 C ATOM 262 C GLU A 21 -6.019 -7.163 -2.448 1.00 0.00 C ATOM 263 O GLU A 21 -5.192 -6.742 -1.640 1.00 0.00 O ATOM 264 CB GLU A 21 -8.457 -6.964 -1.923 1.00 0.00 C ATOM 265 CG GLU A 21 -8.323 -6.739 -0.426 1.00 0.00 C ATOM 266 CD GLU A 21 -9.636 -6.915 0.310 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.680 -6.492 -0.228 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.619 -7.476 1.426 1.00 0.00 O ATOM 0 H GLU A 21 -8.598 -6.579 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.143 -5.345 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.390 -6.518 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.525 -8.035 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.588 -7.435 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.942 -5.734 -0.246 1.00 0.00 H new ATOM 275 N ARG A 22 -5.864 -8.303 -3.114 1.00 0.00 N ATOM 276 CA ARG A 22 -4.688 -9.143 -2.928 1.00 0.00 C ATOM 277 C ARG A 22 -3.420 -8.403 -3.344 1.00 0.00 C ATOM 278 O ARG A 22 -2.415 -8.427 -2.634 1.00 0.00 O ATOM 279 CB ARG A 22 -4.824 -10.435 -3.735 1.00 0.00 C ATOM 280 CG ARG A 22 -3.541 -11.246 -3.810 1.00 0.00 C ATOM 281 CD ARG A 22 -3.279 -11.995 -2.513 1.00 0.00 C ATOM 282 NE ARG A 22 -2.378 -13.128 -2.709 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.744 -14.267 -3.286 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.986 -14.423 -3.724 1.00 0.00 N ATOM 285 NH2 ARG A 22 -1.867 -15.253 -3.428 1.00 0.00 N ATOM 0 H ARG A 22 -6.539 -8.666 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.614 -9.390 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.607 -11.050 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.148 -10.189 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.606 -11.956 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.702 -10.583 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.849 -11.312 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.224 -12.350 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.415 -13.040 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.663 -13.667 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.264 -15.299 -4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.910 -15.137 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.150 -16.127 -3.871 1.00 0.00 H new ATOM 299 N GLN A 23 -3.476 -7.747 -4.499 1.00 0.00 N ATOM 300 CA GLN A 23 -2.332 -7.001 -5.010 1.00 0.00 C ATOM 301 C GLN A 23 -1.997 -5.826 -4.097 1.00 0.00 C ATOM 302 O GLN A 23 -0.827 -5.530 -3.855 1.00 0.00 O ATOM 303 CB GLN A 23 -2.615 -6.498 -6.426 1.00 0.00 C ATOM 304 CG GLN A 23 -2.410 -7.554 -7.500 1.00 0.00 C ATOM 305 CD GLN A 23 -3.453 -8.653 -7.445 1.00 0.00 C ATOM 306 OE1 GLN A 23 -4.512 -8.503 -8.232 1.00 0.00 O flip ATOM 307 NE2 GLN A 23 -3.309 -9.625 -6.703 1.00 0.00 N flip ATOM 0 H GLN A 23 -4.301 -7.717 -5.098 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.474 -7.673 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.642 -6.136 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.967 -5.647 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.439 -7.080 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.419 -7.993 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.479 -9.699 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.020 -10.356 -6.676 1.00 0.00 H new ATOM 316 N ILE A 24 -3.031 -5.160 -3.595 1.00 0.00 N ATOM 317 CA ILE A 24 -2.846 -4.017 -2.709 1.00 0.00 C ATOM 318 C ILE A 24 -2.259 -4.450 -1.369 1.00 0.00 C ATOM 319 O ILE A 24 -1.249 -3.910 -0.918 1.00 0.00 O ATOM 320 CB ILE A 24 -4.173 -3.277 -2.460 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.745 -2.753 -3.779 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.967 -2.136 -1.475 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.255 -2.655 -3.786 1.00 0.00 C ATOM 0 H ILE A 24 -4.006 -5.392 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.151 -3.341 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.888 -3.978 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.324 -1.768 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.428 -3.409 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.914 -1.623 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.600 -2.534 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.239 -1.433 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.591 -2.277 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.684 -3.642 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.579 -1.976 -2.998 1.00 0.00 H new ATOM 335 N LYS A 25 -2.898 -5.429 -0.738 1.00 0.00 N ATOM 336 CA LYS A 25 -2.439 -5.938 0.549 1.00 0.00 C ATOM 337 C LYS A 25 -0.998 -6.429 0.457 1.00 0.00 C ATOM 338 O LYS A 25 -0.175 -6.136 1.324 1.00 0.00 O ATOM 339 CB LYS A 25 -3.347 -7.075 1.024 1.00 0.00 C ATOM 340 CG LYS A 25 -4.517 -6.606 1.871 1.00 0.00 C ATOM 341 CD LYS A 25 -5.675 -7.587 1.815 1.00 0.00 C ATOM 342 CE LYS A 25 -5.540 -8.670 2.874 1.00 0.00 C ATOM 343 NZ LYS A 25 -4.744 -9.830 2.383 1.00 0.00 N ATOM 0 H LYS A 25 -3.736 -5.886 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.481 -5.122 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.730 -7.610 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.754 -7.786 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.193 -6.483 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.850 -5.628 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.614 -7.052 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.717 -8.046 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.064 -8.253 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.531 -9.010 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.857 -10.630 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.079 -10.106 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.740 -9.565 2.330 1.00 0.00 H new ATOM 357 N LYS A 26 -0.698 -7.176 -0.601 1.00 0.00 N ATOM 358 CA LYS A 26 0.644 -7.705 -0.808 1.00 0.00 C ATOM 359 C LYS A 26 1.629 -6.583 -1.121 1.00 0.00 C ATOM 360 O LYS A 26 2.679 -6.472 -0.489 1.00 0.00 O ATOM 361 CB LYS A 26 0.641 -8.728 -1.947 1.00 0.00 C ATOM 362 CG LYS A 26 -0.136 -9.993 -1.626 1.00 0.00 C ATOM 363 CD LYS A 26 0.594 -10.853 -0.609 1.00 0.00 C ATOM 364 CE LYS A 26 -0.339 -11.865 0.037 1.00 0.00 C ATOM 365 NZ LYS A 26 0.343 -12.645 1.107 1.00 0.00 N ATOM 0 H LYS A 26 -1.367 -7.428 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 26 0.960 -8.196 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.215 -8.266 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.670 -8.995 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.120 -9.728 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.295 -10.565 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.417 -11.375 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.031 -10.217 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.201 -11.347 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.718 -12.547 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.327 -13.324 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.150 -13.160 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.682 -11.997 1.846 1.00 0.00 H new ATOM 379 N ALA A 27 1.282 -5.753 -2.099 1.00 0.00 N ATOM 380 CA ALA A 27 2.134 -4.638 -2.493 1.00 0.00 C ATOM 381 C ALA A 27 2.465 -3.751 -1.297 1.00 0.00 C ATOM 382 O ALA A 27 3.590 -3.269 -1.161 1.00 0.00 O ATOM 383 CB ALA A 27 1.463 -3.822 -3.588 1.00 0.00 C ATOM 0 H ALA A 27 0.417 -5.832 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 27 3.068 -5.046 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.111 -2.993 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.283 -4.456 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.514 -3.432 -3.221 1.00 0.00 H new ATOM 389 N PHE A 28 1.478 -3.538 -0.433 1.00 0.00 N ATOM 390 CA PHE A 28 1.664 -2.707 0.751 1.00 0.00 C ATOM 391 C PHE A 28 2.457 -3.453 1.820 1.00 0.00 C ATOM 392 O PHE A 28 3.451 -2.946 2.339 1.00 0.00 O ATOM 393 CB PHE A 28 0.309 -2.274 1.314 1.00 0.00 C ATOM 394 CG PHE A 28 0.415 -1.451 2.566 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.391 -0.474 2.688 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.459 -1.654 3.621 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.491 0.285 3.838 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.364 -0.898 4.773 1.00 0.00 C ATOM 399 CZ PHE A 28 0.613 0.072 4.883 1.00 0.00 C ATOM 0 H PHE A 28 0.541 -3.929 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 28 2.228 -1.821 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.224 -1.700 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.289 -3.161 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.081 -0.304 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.224 -2.412 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.255 1.044 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.053 -1.065 5.587 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.690 0.663 5.784 1.00 0.00 H new ATOM 409 N HIS A 29 2.008 -4.662 2.145 1.00 0.00 N ATOM 410 CA HIS A 29 2.675 -5.479 3.152 1.00 0.00 C ATOM 411 C HIS A 29 4.190 -5.420 2.984 1.00 0.00 C ATOM 412 O HIS A 29 4.910 -4.996 3.889 1.00 0.00 O ATOM 413 CB HIS A 29 2.196 -6.928 3.062 1.00 0.00 C ATOM 414 CG HIS A 29 1.004 -7.220 3.921 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.821 -8.423 4.570 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.067 -6.456 4.237 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.313 -8.387 5.247 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.871 -7.204 5.062 1.00 0.00 N ATOM 0 H HIS A 29 1.186 -5.097 1.726 1.00 0.00 H new ATOM 0 HA HIS A 29 2.421 -5.080 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.951 -7.157 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.012 -7.590 3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.255 -5.446 3.903 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.715 -9.188 5.849 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.755 -6.896 5.466 1.00 0.00 H new ATOM 426 N LYS A 30 4.668 -5.848 1.821 1.00 0.00 N ATOM 427 CA LYS A 30 6.098 -5.844 1.533 1.00 0.00 C ATOM 428 C LYS A 30 6.705 -4.473 1.814 1.00 0.00 C ATOM 429 O LYS A 30 7.772 -4.368 2.420 1.00 0.00 O ATOM 430 CB LYS A 30 6.346 -6.234 0.074 1.00 0.00 C ATOM 431 CG LYS A 30 5.661 -5.319 -0.926 1.00 0.00 C ATOM 432 CD LYS A 30 6.097 -5.623 -2.349 1.00 0.00 C ATOM 433 CE LYS A 30 5.445 -6.894 -2.872 1.00 0.00 C ATOM 434 NZ LYS A 30 5.866 -7.200 -4.267 1.00 0.00 N ATOM 0 H LYS A 30 4.086 -6.202 1.062 1.00 0.00 H new ATOM 0 HA LYS A 30 6.577 -6.575 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.419 -6.228 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.999 -7.255 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.580 -5.433 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.891 -4.281 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.837 -4.786 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.181 -5.728 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.706 -7.730 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.361 -6.788 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.400 -8.073 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.595 -6.414 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.898 -7.327 -4.298 1.00 0.00 H new ATOM 448 N LEU A 31 6.020 -3.425 1.370 1.00 0.00 N ATOM 449 CA LEU A 31 6.491 -2.060 1.575 1.00 0.00 C ATOM 450 C LEU A 31 6.627 -1.748 3.062 1.00 0.00 C ATOM 451 O LEU A 31 7.729 -1.524 3.561 1.00 0.00 O ATOM 452 CB LEU A 31 5.532 -1.064 0.919 1.00 0.00 C ATOM 453 CG LEU A 31 5.612 -0.960 -0.604 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.456 -0.132 -1.143 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.944 -0.361 -1.029 1.00 0.00 C ATOM 0 H LEU A 31 5.136 -3.495 0.866 1.00 0.00 H new ATOM 0 HA LEU A 31 7.473 -1.968 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.513 -1.338 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.720 -0.077 1.341 1.00 0.00 H new ATOM 0 HG LEU A 31 5.539 -1.964 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.529 -0.069 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.512 -0.604 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.497 0.871 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.983 -0.295 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.048 0.636 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.757 -0.994 -0.675 1.00 0.00 H new ATOM 467 N ALA A 32 5.499 -1.738 3.765 1.00 0.00 N ATOM 468 CA ALA A 32 5.493 -1.459 5.196 1.00 0.00 C ATOM 469 C ALA A 32 6.722 -2.051 5.876 1.00 0.00 C ATOM 470 O ALA A 32 7.290 -1.449 6.787 1.00 0.00 O ATOM 471 CB ALA A 32 4.222 -2.000 5.833 1.00 0.00 C ATOM 0 H ALA A 32 4.578 -1.920 3.367 1.00 0.00 H new ATOM 0 HA ALA A 32 5.522 -0.378 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.231 -1.785 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.355 -1.525 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.169 -3.078 5.680 1.00 0.00 H new ATOM 477 N MET A 33 7.127 -3.235 5.429 1.00 0.00 N ATOM 478 CA MET A 33 8.290 -3.909 5.995 1.00 0.00 C ATOM 479 C MET A 33 9.572 -3.154 5.660 1.00 0.00 C ATOM 480 O MET A 33 10.437 -2.967 6.517 1.00 0.00 O ATOM 481 CB MET A 33 8.379 -5.344 5.474 1.00 0.00 C ATOM 482 CG MET A 33 7.194 -6.210 5.871 1.00 0.00 C ATOM 483 SD MET A 33 6.795 -6.080 7.624 1.00 0.00 S ATOM 484 CE MET A 33 5.013 -6.251 7.580 1.00 0.00 C ATOM 0 H MET A 33 6.667 -3.748 4.677 1.00 0.00 H new ATOM 0 HA MET A 33 8.174 -3.930 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.455 -5.323 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.295 -5.802 5.849 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.324 -5.920 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.412 -7.250 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.617 -6.191 8.594 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.586 -5.451 6.976 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.751 -7.215 7.144 1.00 0.00 H new ATOM 494 N LYS A 34 9.689 -2.721 4.410 1.00 0.00 N ATOM 495 CA LYS A 34 10.865 -1.984 3.961 1.00 0.00 C ATOM 496 C LYS A 34 10.979 -0.647 4.686 1.00 0.00 C ATOM 497 O LYS A 34 12.078 -0.205 5.023 1.00 0.00 O ATOM 498 CB LYS A 34 10.802 -1.754 2.450 1.00 0.00 C ATOM 499 CG LYS A 34 11.957 -0.926 1.912 1.00 0.00 C ATOM 500 CD LYS A 34 11.649 -0.370 0.532 1.00 0.00 C ATOM 501 CE LYS A 34 11.989 -1.370 -0.562 1.00 0.00 C ATOM 502 NZ LYS A 34 13.454 -1.626 -0.643 1.00 0.00 N ATOM 0 H LYS A 34 8.983 -2.868 3.688 1.00 0.00 H new ATOM 0 HA LYS A 34 11.747 -2.580 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.791 -2.719 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.864 -1.256 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.168 -0.105 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.856 -1.541 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.592 -0.109 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.214 0.549 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.466 -2.308 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.632 -0.994 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.693 -1.976 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.971 -0.743 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.722 -2.338 0.066 1.00 0.00 H new ATOM 516 N TYR A 35 9.839 -0.009 4.924 1.00 0.00 N ATOM 517 CA TYR A 35 9.811 1.278 5.609 1.00 0.00 C ATOM 518 C TYR A 35 9.212 1.140 7.005 1.00 0.00 C ATOM 519 O TYR A 35 8.718 2.110 7.580 1.00 0.00 O ATOM 520 CB TYR A 35 9.008 2.294 4.795 1.00 0.00 C ATOM 521 CG TYR A 35 9.665 2.679 3.489 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.750 3.547 3.464 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.200 2.177 2.280 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.353 3.902 2.273 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.798 2.526 1.085 1.00 0.00 C ATOM 526 CZ TYR A 35 10.874 3.389 1.086 1.00 0.00 C ATOM 527 OH TYR A 35 11.471 3.740 -0.103 1.00 0.00 O ATOM 0 H TYR A 35 8.921 -0.362 4.653 1.00 0.00 H new ATOM 0 HA TYR A 35 10.838 1.631 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.021 1.882 4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.859 3.191 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.128 3.951 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.357 1.502 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.195 4.578 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.425 2.125 0.154 1.00 0.00 H new ATOM 0 HH TYR A 35 11.013 3.291 -0.844 1.00 0.00 H new ATOM 537 N HIS A 36 9.262 -0.074 7.545 1.00 0.00 N ATOM 538 CA HIS A 36 8.726 -0.341 8.875 1.00 0.00 C ATOM 539 C HIS A 36 9.524 0.403 9.942 1.00 0.00 C ATOM 540 O HIS A 36 10.753 0.459 9.906 1.00 0.00 O ATOM 541 CB HIS A 36 8.743 -1.842 9.164 1.00 0.00 C ATOM 542 CG HIS A 36 7.640 -2.290 10.072 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.795 -2.421 11.436 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.359 -2.638 9.806 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.658 -2.830 11.969 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.770 -2.969 11.001 1.00 0.00 N ATOM 0 H HIS A 36 9.668 -0.887 7.082 1.00 0.00 H new ATOM 0 HA HIS A 36 7.696 0.015 8.902 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.670 -2.386 8.222 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.701 -2.107 9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.888 -2.653 8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.484 -3.019 13.018 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.804 -3.273 11.122 1.00 0.00 H new ATOM 554 N PRO A 37 8.810 0.989 10.915 1.00 0.00 N ATOM 555 CA PRO A 37 9.431 1.740 12.010 1.00 0.00 C ATOM 556 C PRO A 37 10.189 0.837 12.976 1.00 0.00 C ATOM 557 O PRO A 37 11.117 1.277 13.654 1.00 0.00 O ATOM 558 CB PRO A 37 8.239 2.394 12.712 1.00 0.00 C ATOM 559 CG PRO A 37 7.082 1.510 12.397 1.00 0.00 C ATOM 560 CD PRO A 37 7.341 0.963 11.021 1.00 0.00 C ATOM 0 HA PRO A 37 10.172 2.452 11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.403 2.464 13.787 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.073 3.408 12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.996 0.705 13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.146 2.068 12.425 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.948 -0.047 10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.872 1.574 10.250 1.00 0.00 H new ATOM 568 N ASP A 38 9.788 -0.428 13.033 1.00 0.00 N ATOM 569 CA ASP A 38 10.430 -1.395 13.916 1.00 0.00 C ATOM 570 C ASP A 38 11.666 -1.997 13.255 1.00 0.00 C ATOM 571 O ASP A 38 12.752 -2.006 13.835 1.00 0.00 O ATOM 572 CB ASP A 38 9.448 -2.505 14.294 1.00 0.00 C ATOM 573 CG ASP A 38 9.951 -3.357 15.442 1.00 0.00 C ATOM 574 OD1 ASP A 38 11.022 -3.982 15.291 1.00 0.00 O ATOM 575 OD2 ASP A 38 9.274 -3.401 16.491 1.00 0.00 O ATOM 0 H ASP A 38 9.021 -0.808 12.478 1.00 0.00 H new ATOM 0 HA ASP A 38 10.741 -0.872 14.821 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.490 -2.061 14.567 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.269 -3.139 13.426 1.00 0.00 H new ATOM 580 N LYS A 39 11.494 -2.500 12.037 1.00 0.00 N ATOM 581 CA LYS A 39 12.594 -3.104 11.295 1.00 0.00 C ATOM 582 C LYS A 39 13.634 -2.055 10.914 1.00 0.00 C ATOM 583 O LYS A 39 14.836 -2.300 11.001 1.00 0.00 O ATOM 584 CB LYS A 39 12.068 -3.798 10.037 1.00 0.00 C ATOM 585 CG LYS A 39 10.945 -4.783 10.310 1.00 0.00 C ATOM 586 CD LYS A 39 11.483 -6.169 10.623 1.00 0.00 C ATOM 587 CE LYS A 39 11.852 -6.924 9.355 1.00 0.00 C ATOM 588 NZ LYS A 39 12.519 -8.221 9.656 1.00 0.00 N ATOM 0 H LYS A 39 10.602 -2.501 11.543 1.00 0.00 H new ATOM 0 HA LYS A 39 13.070 -3.844 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.714 -3.042 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.890 -4.323 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.344 -4.428 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.286 -4.835 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.360 -6.084 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.735 -6.734 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.953 -7.106 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.513 -6.308 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.755 -8.705 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.390 -8.046 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.879 -8.819 10.216 1.00 0.00 H new ATOM 602 N ASN A 40 13.161 -0.887 10.491 1.00 0.00 N ATOM 603 CA ASN A 40 14.051 0.200 10.097 1.00 0.00 C ATOM 604 C ASN A 40 14.474 1.023 11.310 1.00 0.00 C ATOM 605 O ASN A 40 13.635 1.524 12.058 1.00 0.00 O ATOM 606 CB ASN A 40 13.364 1.101 9.069 1.00 0.00 C ATOM 607 CG ASN A 40 14.350 1.737 8.108 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.476 2.064 8.482 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.929 1.914 6.861 1.00 0.00 N ATOM 0 H ASN A 40 12.168 -0.669 10.412 1.00 0.00 H new ATOM 0 HA ASN A 40 14.943 -0.237 9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.637 0.516 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.810 1.883 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.548 2.336 6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.987 1.628 6.595 1.00 0.00 H new ATOM 616 N LYS A 41 15.783 1.159 11.498 1.00 0.00 N ATOM 617 CA LYS A 41 16.320 1.923 12.618 1.00 0.00 C ATOM 618 C LYS A 41 16.556 3.377 12.222 1.00 0.00 C ATOM 619 O LYS A 41 17.270 4.109 12.907 1.00 0.00 O ATOM 620 CB LYS A 41 17.628 1.297 13.108 1.00 0.00 C ATOM 621 CG LYS A 41 18.745 1.340 12.080 1.00 0.00 C ATOM 622 CD LYS A 41 19.857 0.364 12.424 1.00 0.00 C ATOM 623 CE LYS A 41 21.004 0.453 11.429 1.00 0.00 C ATOM 624 NZ LYS A 41 20.570 0.103 10.049 1.00 0.00 N ATOM 0 H LYS A 41 16.491 0.750 10.889 1.00 0.00 H new ATOM 0 HA LYS A 41 15.588 1.900 13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.955 1.816 14.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.442 0.260 13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.343 1.103 11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.151 2.350 12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.228 0.572 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.461 -0.651 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.413 1.463 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.806 -0.217 11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.406 -0.007 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.036 -0.790 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.964 0.860 9.673 1.00 0.00 H new ATOM 638 N SER A 42 15.952 3.788 11.112 1.00 0.00 N ATOM 639 CA SER A 42 16.099 5.154 10.623 1.00 0.00 C ATOM 640 C SER A 42 14.872 5.991 10.972 1.00 0.00 C ATOM 641 O SER A 42 13.745 5.497 11.019 1.00 0.00 O ATOM 642 CB SER A 42 16.318 5.156 9.109 1.00 0.00 C ATOM 643 OG SER A 42 15.166 4.690 8.427 1.00 0.00 O ATOM 0 H SER A 42 15.356 3.195 10.534 1.00 0.00 H new ATOM 0 HA SER A 42 16.969 5.596 11.109 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.559 6.165 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.172 4.525 8.861 1.00 0.00 H new ATOM 0 HG SER A 42 15.344 3.802 8.053 1.00 0.00 H new ATOM 649 N PRO A 43 15.094 7.290 11.223 1.00 0.00 N ATOM 650 CA PRO A 43 14.019 8.224 11.572 1.00 0.00 C ATOM 651 C PRO A 43 13.095 8.510 10.394 1.00 0.00 C ATOM 652 O PRO A 43 11.872 8.492 10.534 1.00 0.00 O ATOM 653 CB PRO A 43 14.771 9.493 11.982 1.00 0.00 C ATOM 654 CG PRO A 43 16.074 9.410 11.263 1.00 0.00 C ATOM 655 CD PRO A 43 16.412 7.946 11.186 1.00 0.00 C ATOM 0 HA PRO A 43 13.370 7.826 12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.219 10.389 11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.916 9.536 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.999 9.846 10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.849 9.962 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.955 7.706 10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.040 7.634 12.021 1.00 0.00 H new ATOM 663 N ASP A 44 13.686 8.772 9.234 1.00 0.00 N ATOM 664 CA ASP A 44 12.915 9.060 8.030 1.00 0.00 C ATOM 665 C ASP A 44 11.968 7.910 7.703 1.00 0.00 C ATOM 666 O ASP A 44 10.849 8.126 7.239 1.00 0.00 O ATOM 667 CB ASP A 44 13.851 9.319 6.848 1.00 0.00 C ATOM 668 CG ASP A 44 15.105 10.067 7.256 1.00 0.00 C ATOM 669 OD1 ASP A 44 16.014 9.432 7.830 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.177 11.288 7.002 1.00 0.00 O ATOM 0 H ASP A 44 14.697 8.791 9.101 1.00 0.00 H new ATOM 0 HA ASP A 44 12.321 9.955 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.130 8.368 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.321 9.892 6.087 1.00 0.00 H new ATOM 675 N ALA A 45 12.426 6.686 7.947 1.00 0.00 N ATOM 676 CA ALA A 45 11.620 5.502 7.679 1.00 0.00 C ATOM 677 C ALA A 45 10.198 5.676 8.201 1.00 0.00 C ATOM 678 O ALA A 45 9.232 5.555 7.448 1.00 0.00 O ATOM 679 CB ALA A 45 12.266 4.272 8.301 1.00 0.00 C ATOM 0 H ALA A 45 13.351 6.489 8.330 1.00 0.00 H new ATOM 0 HA ALA A 45 11.568 5.365 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.653 3.395 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.260 4.129 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.348 4.410 9.379 1.00 0.00 H new ATOM 685 N GLU A 46 10.078 5.960 9.494 1.00 0.00 N ATOM 686 CA GLU A 46 8.772 6.148 10.115 1.00 0.00 C ATOM 687 C GLU A 46 7.900 7.078 9.277 1.00 0.00 C ATOM 688 O GLU A 46 6.703 6.842 9.111 1.00 0.00 O ATOM 689 CB GLU A 46 8.932 6.717 11.527 1.00 0.00 C ATOM 690 CG GLU A 46 7.621 6.848 12.283 1.00 0.00 C ATOM 691 CD GLU A 46 7.755 7.676 13.546 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.438 7.216 14.486 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.179 8.782 13.596 1.00 0.00 O ATOM 0 H GLU A 46 10.868 6.065 10.131 1.00 0.00 H new ATOM 0 HA GLU A 46 8.283 5.176 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.606 6.075 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.404 7.697 11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.875 7.304 11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.254 5.855 12.542 1.00 0.00 H new ATOM 700 N ALA A 47 8.508 8.136 8.750 1.00 0.00 N ATOM 701 CA ALA A 47 7.788 9.100 7.928 1.00 0.00 C ATOM 702 C ALA A 47 7.269 8.452 6.649 1.00 0.00 C ATOM 703 O ALA A 47 6.083 8.544 6.331 1.00 0.00 O ATOM 704 CB ALA A 47 8.685 10.284 7.595 1.00 0.00 C ATOM 0 H ALA A 47 9.498 8.347 8.878 1.00 0.00 H new ATOM 0 HA ALA A 47 6.930 9.457 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.134 10.996 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.003 10.770 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.561 9.934 7.048 1.00 0.00 H new ATOM 710 N LYS A 48 8.164 7.796 5.918 1.00 0.00 N ATOM 711 CA LYS A 48 7.797 7.131 4.674 1.00 0.00 C ATOM 712 C LYS A 48 6.541 6.286 4.858 1.00 0.00 C ATOM 713 O LYS A 48 5.565 6.437 4.122 1.00 0.00 O ATOM 714 CB LYS A 48 8.949 6.251 4.183 1.00 0.00 C ATOM 715 CG LYS A 48 10.149 7.040 3.688 1.00 0.00 C ATOM 716 CD LYS A 48 9.868 7.699 2.348 1.00 0.00 C ATOM 717 CE LYS A 48 10.139 6.749 1.191 1.00 0.00 C ATOM 718 NZ LYS A 48 10.370 7.480 -0.085 1.00 0.00 N ATOM 0 H LYS A 48 9.150 7.711 6.166 1.00 0.00 H new ATOM 0 HA LYS A 48 7.591 7.899 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.265 5.595 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.588 5.611 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.412 7.802 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.009 6.377 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.829 8.028 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.488 8.589 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.010 6.136 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.294 6.070 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.551 6.797 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.529 8.045 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.192 8.109 0.019 1.00 0.00 H new ATOM 732 N PHE A 49 6.570 5.397 5.846 1.00 0.00 N ATOM 733 CA PHE A 49 5.433 4.529 6.127 1.00 0.00 C ATOM 734 C PHE A 49 4.163 5.347 6.341 1.00 0.00 C ATOM 735 O PHE A 49 3.063 4.902 6.014 1.00 0.00 O ATOM 736 CB PHE A 49 5.714 3.670 7.362 1.00 0.00 C ATOM 737 CG PHE A 49 4.540 2.837 7.792 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.047 1.836 6.972 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.931 3.055 9.017 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.967 1.068 7.365 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.851 2.290 9.416 1.00 0.00 C ATOM 742 CZ PHE A 49 2.369 1.295 8.589 1.00 0.00 C ATOM 0 H PHE A 49 7.369 5.259 6.465 1.00 0.00 H new ATOM 0 HA PHE A 49 5.283 3.878 5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.559 3.013 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.011 4.319 8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.512 1.653 6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.304 3.832 9.668 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.591 0.291 6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.385 2.470 10.373 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.526 0.695 8.899 1.00 0.00 H new ATOM 752 N ARG A 50 4.325 6.546 6.891 1.00 0.00 N ATOM 753 CA ARG A 50 3.192 7.426 7.150 1.00 0.00 C ATOM 754 C ARG A 50 2.441 7.740 5.859 1.00 0.00 C ATOM 755 O ARG A 50 1.271 8.119 5.888 1.00 0.00 O ATOM 756 CB ARG A 50 3.667 8.725 7.805 1.00 0.00 C ATOM 757 CG ARG A 50 2.561 9.489 8.514 1.00 0.00 C ATOM 758 CD ARG A 50 2.121 8.781 9.787 1.00 0.00 C ATOM 759 NE ARG A 50 1.036 9.490 10.460 1.00 0.00 N ATOM 760 CZ ARG A 50 0.398 9.015 11.524 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.735 7.839 12.034 1.00 0.00 N ATOM 762 NH2 ARG A 50 -0.579 9.719 12.081 1.00 0.00 N ATOM 0 H ARG A 50 5.229 6.930 7.166 1.00 0.00 H new ATOM 0 HA ARG A 50 2.513 6.912 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.455 8.494 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.109 9.366 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.909 10.493 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.708 9.600 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.798 7.768 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.970 8.691 10.464 1.00 0.00 H new ATOM 0 HE ARG A 50 0.753 10.399 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.486 7.295 11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.243 7.478 12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.840 10.625 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.069 9.354 12.898 1.00 0.00 H new ATOM 776 N GLU A 51 3.124 7.581 4.730 1.00 0.00 N ATOM 777 CA GLU A 51 2.521 7.849 3.430 1.00 0.00 C ATOM 778 C GLU A 51 2.009 6.561 2.791 1.00 0.00 C ATOM 779 O GLU A 51 1.022 6.571 2.054 1.00 0.00 O ATOM 780 CB GLU A 51 3.535 8.523 2.502 1.00 0.00 C ATOM 781 CG GLU A 51 4.345 7.542 1.671 1.00 0.00 C ATOM 782 CD GLU A 51 5.727 8.066 1.334 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.826 8.962 0.469 1.00 0.00 O ATOM 784 OE2 GLU A 51 6.709 7.581 1.933 1.00 0.00 O ATOM 0 H GLU A 51 4.094 7.268 4.689 1.00 0.00 H new ATOM 0 HA GLU A 51 1.675 8.520 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.007 9.203 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.216 9.128 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.439 6.602 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.808 7.324 0.748 1.00 0.00 H new ATOM 791 N ILE A 52 2.686 5.455 3.080 1.00 0.00 N ATOM 792 CA ILE A 52 2.299 4.159 2.535 1.00 0.00 C ATOM 793 C ILE A 52 1.000 3.665 3.162 1.00 0.00 C ATOM 794 O ILE A 52 0.074 3.261 2.459 1.00 0.00 O ATOM 795 CB ILE A 52 3.398 3.104 2.759 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.779 3.709 2.495 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.164 1.897 1.863 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.899 2.694 2.523 1.00 0.00 C ATOM 0 H ILE A 52 3.505 5.430 3.688 1.00 0.00 H new ATOM 0 HA ILE A 52 2.153 4.298 1.464 1.00 0.00 H new ATOM 0 HB ILE A 52 3.358 2.775 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.771 4.202 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.978 4.478 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.949 1.160 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.195 1.455 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.180 2.210 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.848 3.194 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.934 2.218 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.724 1.937 1.758 1.00 0.00 H new ATOM 810 N ALA A 53 0.938 3.701 4.489 1.00 0.00 N ATOM 811 CA ALA A 53 -0.249 3.261 5.211 1.00 0.00 C ATOM 812 C ALA A 53 -1.494 3.987 4.714 1.00 0.00 C ATOM 813 O ALA A 53 -2.439 3.360 4.236 1.00 0.00 O ATOM 814 CB ALA A 53 -0.069 3.480 6.705 1.00 0.00 C ATOM 0 H ALA A 53 1.697 4.031 5.086 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.383 2.195 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.963 3.147 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.792 2.910 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.094 4.540 6.900 1.00 0.00 H new ATOM 820 N GLU A 54 -1.488 5.311 4.831 1.00 0.00 N ATOM 821 CA GLU A 54 -2.619 6.121 4.394 1.00 0.00 C ATOM 822 C GLU A 54 -3.061 5.726 2.988 1.00 0.00 C ATOM 823 O GLU A 54 -4.255 5.653 2.698 1.00 0.00 O ATOM 824 CB GLU A 54 -2.255 7.607 4.428 1.00 0.00 C ATOM 825 CG GLU A 54 -3.391 8.522 4.004 1.00 0.00 C ATOM 826 CD GLU A 54 -4.403 8.747 5.110 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.084 9.488 6.063 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.513 8.183 5.023 1.00 0.00 O ATOM 0 H GLU A 54 -0.713 5.845 5.224 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.447 5.942 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.943 7.873 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.399 7.778 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.981 9.482 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.894 8.092 3.138 1.00 0.00 H new ATOM 835 N ALA A 55 -2.088 5.474 2.118 1.00 0.00 N ATOM 836 CA ALA A 55 -2.375 5.085 0.743 1.00 0.00 C ATOM 837 C ALA A 55 -3.148 3.771 0.693 1.00 0.00 C ATOM 838 O ALA A 55 -4.108 3.632 -0.065 1.00 0.00 O ATOM 839 CB ALA A 55 -1.084 4.971 -0.054 1.00 0.00 C ATOM 0 H ALA A 55 -1.094 5.532 2.341 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.998 5.859 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.314 4.680 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.572 5.933 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.440 4.218 0.401 1.00 0.00 H new ATOM 845 N TYR A 56 -2.723 2.810 1.505 1.00 0.00 N ATOM 846 CA TYR A 56 -3.373 1.506 1.552 1.00 0.00 C ATOM 847 C TYR A 56 -4.776 1.617 2.140 1.00 0.00 C ATOM 848 O TYR A 56 -5.751 1.172 1.535 1.00 0.00 O ATOM 849 CB TYR A 56 -2.538 0.525 2.377 1.00 0.00 C ATOM 850 CG TYR A 56 -3.306 -0.700 2.820 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.480 -1.782 1.966 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.857 -0.775 4.093 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.181 -2.903 2.366 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.559 -1.893 4.503 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.718 -2.954 3.635 1.00 0.00 C ATOM 856 OH TYR A 56 -5.417 -4.068 4.039 1.00 0.00 O ATOM 0 H TYR A 56 -1.931 2.909 2.140 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.455 1.133 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.676 0.210 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.152 1.040 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.060 -1.746 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.735 0.054 4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.308 -3.735 1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.980 -1.936 5.496 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.521 -4.053 5.013 1.00 0.00 H new ATOM 866 N GLU A 57 -4.869 2.215 3.324 1.00 0.00 N ATOM 867 CA GLU A 57 -6.152 2.385 3.995 1.00 0.00 C ATOM 868 C GLU A 57 -7.268 2.623 2.982 1.00 0.00 C ATOM 869 O GLU A 57 -8.320 1.985 3.037 1.00 0.00 O ATOM 870 CB GLU A 57 -6.086 3.553 4.981 1.00 0.00 C ATOM 871 CG GLU A 57 -5.078 3.348 6.100 1.00 0.00 C ATOM 872 CD GLU A 57 -5.310 4.282 7.272 1.00 0.00 C ATOM 873 OE1 GLU A 57 -5.485 5.496 7.037 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.318 3.798 8.423 1.00 0.00 O ATOM 0 H GLU A 57 -4.071 2.589 3.838 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.371 1.468 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.833 4.463 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.073 3.706 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.130 2.316 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.072 3.503 5.711 1.00 0.00 H new ATOM 881 N THR A 58 -7.032 3.547 2.056 1.00 0.00 N ATOM 882 CA THR A 58 -8.016 3.872 1.031 1.00 0.00 C ATOM 883 C THR A 58 -8.201 2.713 0.059 1.00 0.00 C ATOM 884 O THR A 58 -9.323 2.395 -0.339 1.00 0.00 O ATOM 885 CB THR A 58 -7.610 5.131 0.241 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.229 6.175 1.144 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.754 5.608 -0.641 1.00 0.00 C ATOM 0 H THR A 58 -6.167 4.084 1.995 1.00 0.00 H new ATOM 0 HA THR A 58 -8.957 4.064 1.546 1.00 0.00 H new ATOM 0 HB THR A 58 -6.763 4.876 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.641 6.808 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.444 6.498 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.021 4.822 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.617 5.847 -0.020 1.00 0.00 H new ATOM 895 N LEU A 59 -7.094 2.084 -0.321 1.00 0.00 N ATOM 896 CA LEU A 59 -7.134 0.957 -1.247 1.00 0.00 C ATOM 897 C LEU A 59 -7.257 -0.363 -0.494 1.00 0.00 C ATOM 898 O LEU A 59 -7.050 -1.435 -1.062 1.00 0.00 O ATOM 899 CB LEU A 59 -5.878 0.944 -2.120 1.00 0.00 C ATOM 900 CG LEU A 59 -5.470 2.286 -2.729 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.146 2.157 -3.467 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.556 2.800 -3.664 1.00 0.00 C ATOM 0 H LEU A 59 -6.158 2.335 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.011 1.073 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.047 0.572 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.030 0.231 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.343 3.006 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.872 3.122 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.371 1.835 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.245 1.422 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.248 3.756 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.715 2.081 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.483 2.932 -3.107 1.00 0.00 H new ATOM 914 N SER A 60 -7.599 -0.278 0.788 1.00 0.00 N ATOM 915 CA SER A 60 -7.748 -1.466 1.620 1.00 0.00 C ATOM 916 C SER A 60 -9.203 -1.924 1.655 1.00 0.00 C ATOM 917 O SER A 60 -9.503 -3.094 1.413 1.00 0.00 O ATOM 918 CB SER A 60 -7.256 -1.185 3.041 1.00 0.00 C ATOM 919 OG SER A 60 -7.567 -2.260 3.910 1.00 0.00 O ATOM 0 H SER A 60 -7.778 0.601 1.273 1.00 0.00 H new ATOM 0 HA SER A 60 -7.144 -2.262 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.178 -1.022 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.714 -0.268 3.413 1.00 0.00 H new ATOM 0 HG SER A 60 -6.838 -2.914 3.895 1.00 0.00 H new ATOM 925 N ASP A 61 -10.102 -0.995 1.960 1.00 0.00 N ATOM 926 CA ASP A 61 -11.526 -1.302 2.026 1.00 0.00 C ATOM 927 C ASP A 61 -12.126 -1.406 0.627 1.00 0.00 C ATOM 928 O ASP A 61 -11.412 -1.331 -0.372 1.00 0.00 O ATOM 929 CB ASP A 61 -12.263 -0.231 2.832 1.00 0.00 C ATOM 930 CG ASP A 61 -13.482 -0.781 3.547 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.316 -1.675 4.403 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.603 -0.317 3.250 1.00 0.00 O ATOM 0 H ASP A 61 -9.870 -0.023 2.165 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.642 -2.265 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.581 0.202 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.569 0.575 2.165 1.00 0.00 H new ATOM 937 N ALA A 62 -13.442 -1.580 0.565 1.00 0.00 N ATOM 938 CA ALA A 62 -14.138 -1.694 -0.711 1.00 0.00 C ATOM 939 C ALA A 62 -14.657 -0.337 -1.176 1.00 0.00 C ATOM 940 O ALA A 62 -14.201 0.200 -2.184 1.00 0.00 O ATOM 941 CB ALA A 62 -15.283 -2.690 -0.601 1.00 0.00 C ATOM 0 H ALA A 62 -14.048 -1.645 1.383 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.427 -2.056 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.794 -2.765 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.889 -3.667 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.987 -2.352 0.159 1.00 0.00 H new ATOM 947 N ASN A 63 -15.613 0.211 -0.433 1.00 0.00 N ATOM 948 CA ASN A 63 -16.196 1.505 -0.771 1.00 0.00 C ATOM 949 C ASN A 63 -15.113 2.574 -0.891 1.00 0.00 C ATOM 950 O ASN A 63 -15.105 3.359 -1.839 1.00 0.00 O ATOM 951 CB ASN A 63 -17.221 1.918 0.287 1.00 0.00 C ATOM 952 CG ASN A 63 -18.118 0.768 0.702 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.669 -0.011 1.679 1.00 0.00 O flip ATOM 954 ND2 ASN A 63 -19.204 0.583 0.151 1.00 0.00 N flip ATOM 0 H ASN A 63 -16.000 -0.220 0.406 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.697 1.410 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.700 2.303 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.834 2.731 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.510 1.207 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.798 -0.194 0.442 1.00 0.00 H new ATOM 961 N ARG A 64 -14.202 2.597 0.076 1.00 0.00 N ATOM 962 CA ARG A 64 -13.116 3.569 0.080 1.00 0.00 C ATOM 963 C ARG A 64 -12.323 3.503 -1.223 1.00 0.00 C ATOM 964 O ARG A 64 -12.135 4.515 -1.898 1.00 0.00 O ATOM 965 CB ARG A 64 -12.185 3.322 1.268 1.00 0.00 C ATOM 966 CG ARG A 64 -12.773 3.755 2.602 1.00 0.00 C ATOM 967 CD ARG A 64 -11.722 3.748 3.702 1.00 0.00 C ATOM 968 NE ARG A 64 -12.082 4.631 4.808 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.496 4.593 5.999 1.00 0.00 C ATOM 970 NH1 ARG A 64 -10.528 3.719 6.238 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.879 5.430 6.955 1.00 0.00 N ATOM 0 H ARG A 64 -14.195 1.953 0.867 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.553 4.563 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.943 2.260 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.249 3.856 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.196 4.755 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.591 3.088 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.595 2.732 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.762 4.058 3.288 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.824 5.314 4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.232 3.073 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.080 3.692 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.624 6.103 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.428 5.400 7.870 1.00 0.00 H new ATOM 985 N ARG A 65 -11.861 2.306 -1.568 1.00 0.00 N ATOM 986 CA ARG A 65 -11.087 2.108 -2.788 1.00 0.00 C ATOM 987 C ARG A 65 -11.934 2.403 -4.022 1.00 0.00 C ATOM 988 O ARG A 65 -11.436 2.926 -5.020 1.00 0.00 O ATOM 989 CB ARG A 65 -10.554 0.676 -2.852 1.00 0.00 C ATOM 990 CG ARG A 65 -9.691 0.402 -4.073 1.00 0.00 C ATOM 991 CD ARG A 65 -10.532 -0.021 -5.267 1.00 0.00 C ATOM 992 NE ARG A 65 -9.717 -0.583 -6.340 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.188 -0.869 -7.549 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.463 -0.647 -7.836 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.383 -1.379 -8.472 1.00 0.00 N ATOM 0 H ARG A 65 -12.009 1.458 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.246 2.801 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.972 0.473 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.396 -0.017 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.122 1.297 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.968 -0.380 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.269 -0.758 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.084 0.840 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.732 -0.766 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.084 -0.256 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.823 -0.867 -8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.402 -1.552 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.745 -1.598 -9.400 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.217 2.065 -3.948 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.134 2.294 -5.058 1.00 0.00 C ATOM 1011 C LYS A 66 -14.270 3.784 -5.353 1.00 0.00 C ATOM 1012 O LYS A 66 -14.326 4.193 -6.512 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.508 1.698 -4.743 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.518 1.871 -5.863 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.738 0.990 -5.656 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.980 1.597 -6.290 1.00 0.00 C ATOM 1017 NZ LYS A 66 -18.928 1.538 -7.777 1.00 0.00 N ATOM 0 H LYS A 66 -13.645 1.631 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.725 1.803 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.393 0.635 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.898 2.164 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.827 2.915 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.050 1.627 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.554 0.005 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.907 0.846 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.864 1.067 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.081 2.634 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.792 1.961 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.098 2.065 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.857 0.546 -8.083 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.322 4.589 -4.297 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.451 6.034 -4.444 1.00 0.00 C ATOM 1033 C GLU A 67 -13.137 6.653 -4.913 1.00 0.00 C ATOM 1034 O GLU A 67 -13.119 7.483 -5.822 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.882 6.668 -3.120 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.238 6.190 -2.629 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.973 7.246 -1.827 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.918 8.432 -2.217 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.604 6.888 -0.811 1.00 0.00 O ATOM 0 H GLU A 67 -14.277 4.265 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.214 6.230 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.132 6.448 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.909 7.751 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.848 5.899 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.105 5.300 -2.014 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.040 6.242 -4.287 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.722 6.757 -4.637 1.00 0.00 C ATOM 1048 C TYR A 68 -10.353 6.381 -6.069 1.00 0.00 C ATOM 1049 O TYR A 68 -9.396 6.911 -6.635 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.667 6.219 -3.669 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.247 6.521 -4.091 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.619 7.695 -3.695 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.534 5.633 -4.887 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.321 7.976 -4.079 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.236 5.904 -5.274 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.634 7.077 -4.868 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.342 7.351 -5.253 1.00 0.00 O ATOM 0 H TYR A 68 -12.038 5.554 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.753 7.844 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.842 6.645 -2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.788 5.140 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.154 8.400 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.003 4.715 -5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.848 8.894 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.695 5.201 -5.891 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.153 8.302 -5.110 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.119 5.464 -6.649 1.00 0.00 N ATOM 1068 CA ASP A 69 -10.875 5.017 -8.015 1.00 0.00 C ATOM 1069 C ASP A 69 -11.921 5.588 -8.968 1.00 0.00 C ATOM 1070 O ASP A 69 -11.621 5.904 -10.120 1.00 0.00 O ATOM 1071 CB ASP A 69 -10.884 3.489 -8.084 1.00 0.00 C ATOM 1072 CG ASP A 69 -9.991 2.954 -9.187 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -8.839 3.424 -9.298 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -10.445 2.066 -9.938 1.00 0.00 O ATOM 0 H ASP A 69 -11.914 5.016 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.894 5.380 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.557 3.083 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.904 3.141 -8.246 1.00 0.00 H new ATOM 1079 N THR A 70 -13.151 5.716 -8.481 1.00 0.00 N ATOM 1080 CA THR A 70 -14.242 6.246 -9.289 1.00 0.00 C ATOM 1081 C THR A 70 -14.190 7.768 -9.354 1.00 0.00 C ATOM 1082 O THR A 70 -14.718 8.379 -10.284 1.00 0.00 O ATOM 1083 CB THR A 70 -15.613 5.814 -8.735 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.611 5.923 -9.756 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.008 6.669 -7.540 1.00 0.00 C ATOM 0 H THR A 70 -13.417 5.460 -7.530 1.00 0.00 H new ATOM 0 HA THR A 70 -14.119 5.838 -10.292 1.00 0.00 H new ATOM 0 HB THR A 70 -15.538 4.776 -8.410 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.479 5.645 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.979 6.345 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.262 6.561 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.066 7.714 -7.844 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.549 8.376 -8.361 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.427 9.828 -8.306 1.00 0.00 C ATOM 1095 C LEU A 71 -12.026 10.273 -8.714 1.00 0.00 C ATOM 1096 O LEU A 71 -11.864 11.174 -9.536 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.744 10.333 -6.897 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.124 9.969 -6.348 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.170 10.171 -4.842 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.204 10.795 -7.032 1.00 0.00 C ATOM 0 H LEU A 71 -13.106 7.886 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.143 10.255 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.989 9.943 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.648 11.419 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.311 8.916 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.160 9.907 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.422 9.536 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.961 11.215 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.180 10.523 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.020 11.854 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.187 10.600 -8.104 1.00 0.00 H new ATOM 1112 N GLY A 72 -11.015 9.632 -8.135 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.641 9.974 -8.453 1.00 0.00 C ATOM 1114 C GLY A 72 -8.864 10.444 -7.239 1.00 0.00 C ATOM 1115 O GLY A 72 -9.446 10.716 -6.188 1.00 0.00 O ATOM 0 H GLY A 72 -11.123 8.882 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.144 9.105 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.631 10.756 -9.212 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.546 10.539 -7.381 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.689 10.978 -6.286 1.00 0.00 C ATOM 1121 C HIS A 73 -6.971 12.434 -5.926 1.00 0.00 C ATOM 1122 O HIS A 73 -7.153 12.770 -4.756 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.217 10.811 -6.664 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.269 11.291 -5.609 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.881 10.517 -4.536 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.628 12.476 -5.468 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.044 11.204 -3.780 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.874 12.396 -4.323 1.00 0.00 N ATOM 0 H HIS A 73 -7.048 10.318 -8.243 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.906 10.358 -5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.020 9.758 -6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.024 11.355 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.697 13.325 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.578 10.851 -2.872 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.279 13.137 -3.952 1.00 0.00 H new ATOM 1136 N SER A 74 -7.004 13.294 -6.939 1.00 0.00 N ATOM 1137 CA SER A 74 -7.259 14.714 -6.729 1.00 0.00 C ATOM 1138 C SER A 74 -8.737 14.964 -6.445 1.00 0.00 C ATOM 1139 O SER A 74 -9.096 15.921 -5.759 1.00 0.00 O ATOM 1140 CB SER A 74 -6.820 15.519 -7.953 1.00 0.00 C ATOM 1141 OG SER A 74 -7.560 15.146 -9.102 1.00 0.00 O ATOM 0 H SER A 74 -6.857 13.032 -7.914 1.00 0.00 H new ATOM 0 HA SER A 74 -6.681 15.038 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.955 16.583 -7.760 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.757 15.360 -8.134 1.00 0.00 H new ATOM 0 HG SER A 74 -7.261 15.676 -9.870 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.591 14.096 -6.978 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.030 14.220 -6.781 1.00 0.00 C ATOM 1149 C ALA A 75 -11.443 13.701 -5.408 1.00 0.00 C ATOM 1150 O ALA A 75 -11.963 14.450 -4.580 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.779 13.476 -7.876 1.00 0.00 C ATOM 0 H ALA A 75 -9.311 13.299 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.289 15.278 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.852 13.577 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.516 13.896 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.506 12.421 -7.851 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.210 12.414 -5.173 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.559 11.794 -3.900 1.00 0.00 C ATOM 1159 C PHE A 76 -11.079 12.646 -2.729 1.00 0.00 C ATOM 1160 O PHE A 76 -11.778 12.795 -1.726 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.952 10.392 -3.808 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.080 9.772 -2.445 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -10.161 10.062 -1.450 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.118 8.900 -2.161 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.275 9.493 -0.195 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.237 8.329 -0.908 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.314 8.625 0.076 1.00 0.00 C ATOM 0 H PHE A 76 -10.781 11.780 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.645 11.717 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.437 9.746 -4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.897 10.443 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.346 10.740 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.842 8.664 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.552 9.727 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.052 7.652 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.405 8.178 1.055 1.00 0.00 H new ATOM 1177 N THR A 77 -9.880 13.204 -2.864 1.00 0.00 N ATOM 1178 CA THR A 77 -9.304 14.041 -1.818 1.00 0.00 C ATOM 1179 C THR A 77 -9.828 15.469 -1.906 1.00 0.00 C ATOM 1180 O THR A 77 -9.056 16.427 -1.868 1.00 0.00 O ATOM 1181 CB THR A 77 -7.766 14.064 -1.901 1.00 0.00 C ATOM 1182 OG1 THR A 77 -7.351 14.614 -3.156 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.195 12.663 -1.741 1.00 0.00 C ATOM 0 H THR A 77 -9.289 13.092 -3.687 1.00 0.00 H new ATOM 0 HA THR A 77 -9.603 13.606 -0.864 1.00 0.00 H new ATOM 0 HB THR A 77 -7.389 14.687 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.847 13.940 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.108 12.704 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.488 12.259 -0.772 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.580 12.021 -2.533 1.00 0.00 H new ATOM 1191 N SER A 78 -11.145 15.606 -2.024 1.00 0.00 N ATOM 1192 CA SER A 78 -11.772 16.919 -2.120 1.00 0.00 C ATOM 1193 C SER A 78 -12.867 17.077 -1.069 1.00 0.00 C ATOM 1194 O SER A 78 -13.914 17.666 -1.332 1.00 0.00 O ATOM 1195 CB SER A 78 -12.357 17.127 -3.518 1.00 0.00 C ATOM 1196 OG SER A 78 -11.344 17.074 -4.508 1.00 0.00 O ATOM 0 H SER A 78 -11.799 14.823 -2.055 1.00 0.00 H new ATOM 0 HA SER A 78 -11.007 17.674 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.107 16.362 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.864 18.091 -3.564 1.00 0.00 H new ATOM 0 HG SER A 78 -11.206 16.144 -4.785 1.00 0.00 H new ATOM 1202 N GLY A 79 -12.615 16.545 0.123 1.00 0.00 N ATOM 1203 CA GLY A 79 -13.588 16.636 1.196 1.00 0.00 C ATOM 1204 C GLY A 79 -13.082 17.453 2.369 1.00 0.00 C ATOM 1205 O GLY A 79 -11.909 17.823 2.418 1.00 0.00 O ATOM 0 H GLY A 79 -11.755 16.053 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.505 17.084 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.842 15.633 1.538 1.00 0.00 H new ATOM 1209 N LYS A 80 -13.969 17.737 3.316 1.00 0.00 N ATOM 1210 CA LYS A 80 -13.608 18.516 4.495 1.00 0.00 C ATOM 1211 C LYS A 80 -14.313 17.981 5.737 1.00 0.00 C ATOM 1212 O LYS A 80 -15.312 17.270 5.638 1.00 0.00 O ATOM 1213 CB LYS A 80 -13.966 19.990 4.287 1.00 0.00 C ATOM 1214 CG LYS A 80 -13.158 20.663 3.191 1.00 0.00 C ATOM 1215 CD LYS A 80 -13.741 22.016 2.820 1.00 0.00 C ATOM 1216 CE LYS A 80 -13.481 23.051 3.903 1.00 0.00 C ATOM 1217 NZ LYS A 80 -14.561 23.063 4.929 1.00 0.00 N ATOM 0 H LYS A 80 -14.944 17.439 3.290 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.532 18.427 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.026 20.067 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.813 20.528 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.127 20.788 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.134 20.022 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.307 22.355 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.815 21.919 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.525 22.841 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.400 24.039 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.935 24.028 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.327 22.424 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.176 22.745 5.842 1.00 0.00 H new ATOM 1231 N GLY A 81 -13.786 18.329 6.907 1.00 0.00 N ATOM 1232 CA GLY A 81 -14.378 17.876 8.152 1.00 0.00 C ATOM 1233 C GLY A 81 -13.763 18.547 9.365 1.00 0.00 C ATOM 1234 O GLY A 81 -13.969 19.738 9.594 1.00 0.00 O ATOM 0 H GLY A 81 -12.959 18.917 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.450 18.075 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.256 16.796 8.237 1.00 0.00 H new ATOM 1238 N GLN A 82 -13.008 17.779 10.144 1.00 0.00 N ATOM 1239 CA GLN A 82 -12.363 18.306 11.341 1.00 0.00 C ATOM 1240 C GLN A 82 -11.099 19.081 10.982 1.00 0.00 C ATOM 1241 O GLN A 82 -10.118 18.504 10.514 1.00 0.00 O ATOM 1242 CB GLN A 82 -12.023 17.169 12.305 1.00 0.00 C ATOM 1243 CG GLN A 82 -13.228 16.625 13.054 1.00 0.00 C ATOM 1244 CD GLN A 82 -13.926 15.507 12.305 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -13.752 15.352 11.096 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -14.720 14.720 13.021 1.00 0.00 N ATOM 0 H GLN A 82 -12.828 16.791 9.968 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.059 18.989 11.828 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.556 16.358 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.287 17.524 13.027 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.909 16.259 14.030 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.936 17.435 13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.835 14.885 14.021 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.215 13.950 12.571 1.00 0.00 H new ATOM 1255 N SER A 83 -11.131 20.391 11.205 1.00 0.00 N ATOM 1256 CA SER A 83 -9.989 21.245 10.901 1.00 0.00 C ATOM 1257 C SER A 83 -9.064 21.366 12.109 1.00 0.00 C ATOM 1258 O SER A 83 -9.520 21.424 13.251 1.00 0.00 O ATOM 1259 CB SER A 83 -10.464 22.633 10.468 1.00 0.00 C ATOM 1260 OG SER A 83 -9.367 23.501 10.241 1.00 0.00 O ATOM 0 H SER A 83 -11.935 20.884 11.595 1.00 0.00 H new ATOM 0 HA SER A 83 -9.432 20.787 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.060 22.550 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.112 23.055 11.236 1.00 0.00 H new ATOM 0 HG SER A 83 -9.698 24.381 9.964 1.00 0.00 H new ATOM 1266 N GLY A 84 -7.761 21.404 11.848 1.00 0.00 N ATOM 1267 CA GLY A 84 -6.792 21.517 12.922 1.00 0.00 C ATOM 1268 C GLY A 84 -6.031 20.227 13.155 1.00 0.00 C ATOM 1269 O GLY A 84 -6.489 19.330 13.861 1.00 0.00 O ATOM 0 H GLY A 84 -7.359 21.359 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.086 22.314 12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.304 21.804 13.840 1.00 0.00 H new ATOM 1273 N PRO A 85 -4.838 20.122 12.549 1.00 0.00 N ATOM 1274 CA PRO A 85 -3.987 18.936 12.678 1.00 0.00 C ATOM 1275 C PRO A 85 -3.398 18.794 14.077 1.00 0.00 C ATOM 1276 O PRO A 85 -3.238 17.684 14.584 1.00 0.00 O ATOM 1277 CB PRO A 85 -2.877 19.183 11.653 1.00 0.00 C ATOM 1278 CG PRO A 85 -2.820 20.665 11.506 1.00 0.00 C ATOM 1279 CD PRO A 85 -4.230 21.154 11.692 1.00 0.00 C ATOM 0 HA PRO A 85 -4.544 18.014 12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.924 18.782 11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.101 18.699 10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.153 21.105 12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.436 20.945 10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.256 22.136 12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.753 21.245 10.740 1.00 0.00 H new ATOM 1287 N SER A 86 -3.078 19.926 14.697 1.00 0.00 N ATOM 1288 CA SER A 86 -2.504 19.927 16.038 1.00 0.00 C ATOM 1289 C SER A 86 -3.070 21.073 16.870 1.00 0.00 C ATOM 1290 O SER A 86 -2.710 22.234 16.675 1.00 0.00 O ATOM 1291 CB SER A 86 -0.980 20.041 15.962 1.00 0.00 C ATOM 1292 OG SER A 86 -0.389 19.821 17.231 1.00 0.00 O ATOM 0 H SER A 86 -3.206 20.853 14.292 1.00 0.00 H new ATOM 0 HA SER A 86 -2.768 18.986 16.521 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.593 19.316 15.246 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.704 21.029 15.595 1.00 0.00 H new ATOM 0 HG SER A 86 0.585 19.898 17.156 1.00 0.00 H new ATOM 1298 N SER A 87 -3.960 20.738 17.799 1.00 0.00 N ATOM 1299 CA SER A 87 -4.580 21.739 18.660 1.00 0.00 C ATOM 1300 C SER A 87 -3.602 22.218 19.728 1.00 0.00 C ATOM 1301 O SER A 87 -3.439 21.581 20.768 1.00 0.00 O ATOM 1302 CB SER A 87 -5.835 21.166 19.322 1.00 0.00 C ATOM 1303 OG SER A 87 -6.875 20.990 18.376 1.00 0.00 O ATOM 0 H SER A 87 -4.268 19.782 17.975 1.00 0.00 H new ATOM 0 HA SER A 87 -4.861 22.591 18.041 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.599 20.210 19.790 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.170 21.835 20.115 1.00 0.00 H new ATOM 0 HG SER A 87 -7.665 20.621 18.823 1.00 0.00 H new ATOM 1309 N GLY A 88 -2.951 23.347 19.462 1.00 0.00 N ATOM 1310 CA GLY A 88 -1.996 23.893 20.409 1.00 0.00 C ATOM 1311 C GLY A 88 -2.669 24.623 21.554 1.00 0.00 C ATOM 1312 O GLY A 88 -2.113 25.573 22.106 1.00 0.00 O ATOM 0 H GLY A 88 -3.068 23.893 18.608 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.382 23.086 20.808 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.325 24.577 19.890 1.00 0.00 H new TER 1316 GLY A 88