USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 766 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 16 HIS : no HE2:sc= -1.12 K(o=-5.1,f=-11!) USER MOD Set 1.2: A 64 GLN : amide:sc= -4! X(o=-5.1!,f=-4.8) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.0495 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 145:sc= -1.63 (180deg=-3.64!) USER MOD Single : A 13 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.4) USER MOD Single : A 17 GLN : amide:sc= -0.582 K(o=-0.58,f=-2.7!) USER MOD Single : A 18 GLN : amide:sc= -0.0061 K(o=-0.0061,f=-1.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.363 USER MOD Single : A 37 CYS SG : rot 67:sc= 0.487 USER MOD Single : A 38 HIS : no HE2:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -81:sc= 0.00545 USER MOD Single : A 43 THR OG1 : rot 76:sc= 0.768 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.809 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 155:sc= -5.14! (180deg=-7.03!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 100:sc= -0.323 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc=-0.00823 F(o=-0.71,f=-0.0082) USER MOD Single : A 58 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -2.89! C(o=-5!,f=-2.9!) USER MOD Single : A 69 MET CE :methyl -163:sc= -0.402 (180deg=-1.06) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.818 X(o=-0.82,f=-0.57) USER MOD Single : A 76 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -0.66 (180deg=-3.22) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0527) USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0498) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.761 21.458 0.527 1.00 0.00 N ATOM 2 CA GLY A 1 -12.045 21.624 -0.128 1.00 0.00 C ATOM 3 C GLY A 1 -12.066 22.810 -1.072 1.00 0.00 C ATOM 4 O GLY A 1 -11.760 22.675 -2.257 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.799 20.635 1.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.022 21.310 -0.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.540 22.311 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.286 20.717 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.821 21.751 0.627 1.00 0.00 H new ATOM 8 N SER A 2 -12.429 23.976 -0.547 1.00 0.00 N ATOM 9 CA SER A 2 -12.495 25.190 -1.352 1.00 0.00 C ATOM 10 C SER A 2 -11.495 26.228 -0.851 1.00 0.00 C ATOM 11 O SER A 2 -10.656 26.714 -1.608 1.00 0.00 O ATOM 12 CB SER A 2 -13.909 25.771 -1.322 1.00 0.00 C ATOM 13 OG SER A 2 -14.848 24.858 -1.864 1.00 0.00 O ATOM 0 H SER A 2 -12.682 24.106 0.433 1.00 0.00 H new ATOM 0 HA SER A 2 -12.239 24.930 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.184 26.014 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.935 26.702 -1.888 1.00 0.00 H new ATOM 0 HG SER A 2 -15.744 25.253 -1.832 1.00 0.00 H new ATOM 19 N SER A 3 -11.593 26.563 0.432 1.00 0.00 N ATOM 20 CA SER A 3 -10.701 27.547 1.035 1.00 0.00 C ATOM 21 C SER A 3 -9.602 26.861 1.841 1.00 0.00 C ATOM 22 O SER A 3 -9.854 26.307 2.910 1.00 0.00 O ATOM 23 CB SER A 3 -11.490 28.499 1.935 1.00 0.00 C ATOM 24 OG SER A 3 -10.684 29.583 2.363 1.00 0.00 O ATOM 0 H SER A 3 -12.281 26.168 1.073 1.00 0.00 H new ATOM 0 HA SER A 3 -10.236 28.120 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.358 28.878 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.866 27.956 2.803 1.00 0.00 H new ATOM 0 HG SER A 3 -11.212 30.178 2.935 1.00 0.00 H new ATOM 30 N GLY A 4 -8.379 26.903 1.319 1.00 0.00 N ATOM 31 CA GLY A 4 -7.259 26.283 2.003 1.00 0.00 C ATOM 32 C GLY A 4 -6.355 27.298 2.673 1.00 0.00 C ATOM 33 O GLY A 4 -5.307 27.657 2.135 1.00 0.00 O ATOM 0 H GLY A 4 -8.144 27.355 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.635 25.586 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.678 25.700 1.288 1.00 0.00 H new ATOM 37 N SER A 5 -6.760 27.763 3.850 1.00 0.00 N ATOM 38 CA SER A 5 -5.981 28.748 4.592 1.00 0.00 C ATOM 39 C SER A 5 -4.561 28.246 4.834 1.00 0.00 C ATOM 40 O SER A 5 -3.587 28.946 4.554 1.00 0.00 O ATOM 41 CB SER A 5 -6.657 29.063 5.928 1.00 0.00 C ATOM 42 OG SER A 5 -6.856 27.884 6.689 1.00 0.00 O ATOM 0 H SER A 5 -7.623 27.474 4.311 1.00 0.00 H new ATOM 0 HA SER A 5 -5.930 29.659 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.044 29.765 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.616 29.550 5.748 1.00 0.00 H new ATOM 0 HG SER A 5 -7.288 28.112 7.539 1.00 0.00 H new ATOM 48 N SER A 6 -4.451 27.029 5.356 1.00 0.00 N ATOM 49 CA SER A 6 -3.150 26.433 5.640 1.00 0.00 C ATOM 50 C SER A 6 -3.174 24.929 5.386 1.00 0.00 C ATOM 51 O SER A 6 -4.232 24.343 5.160 1.00 0.00 O ATOM 52 CB SER A 6 -2.744 26.711 7.089 1.00 0.00 C ATOM 53 OG SER A 6 -3.771 26.331 7.988 1.00 0.00 O ATOM 0 H SER A 6 -5.247 26.436 5.591 1.00 0.00 H new ATOM 0 HA SER A 6 -2.417 26.885 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.830 26.166 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.523 27.771 7.211 1.00 0.00 H new ATOM 0 HG SER A 6 -3.487 26.517 8.907 1.00 0.00 H new ATOM 59 N GLY A 7 -1.998 24.310 5.426 1.00 0.00 N ATOM 60 CA GLY A 7 -1.905 22.879 5.198 1.00 0.00 C ATOM 61 C GLY A 7 -2.300 22.490 3.787 1.00 0.00 C ATOM 62 O GLY A 7 -2.772 23.324 3.015 1.00 0.00 O ATOM 0 H GLY A 7 -1.108 24.773 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.884 22.549 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.547 22.358 5.908 1.00 0.00 H new ATOM 66 N MET A 8 -2.106 21.220 3.449 1.00 0.00 N ATOM 67 CA MET A 8 -2.445 20.722 2.121 1.00 0.00 C ATOM 68 C MET A 8 -3.677 19.823 2.175 1.00 0.00 C ATOM 69 O MET A 8 -3.615 18.650 1.809 1.00 0.00 O ATOM 70 CB MET A 8 -1.265 19.954 1.523 1.00 0.00 C ATOM 71 CG MET A 8 -0.068 20.834 1.202 1.00 0.00 C ATOM 72 SD MET A 8 1.358 19.887 0.634 1.00 0.00 S ATOM 73 CE MET A 8 1.047 19.833 -1.129 1.00 0.00 C ATOM 0 H MET A 8 -1.716 20.517 4.076 1.00 0.00 H new ATOM 0 HA MET A 8 -2.670 21.579 1.486 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.957 19.176 2.221 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.592 19.453 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.348 21.556 0.435 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.209 21.403 2.090 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.994 19.877 -1.667 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.530 18.907 -1.379 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.427 20.683 -1.415 1.00 0.00 H new ATOM 83 N GLU A 9 -4.792 20.382 2.634 1.00 0.00 N ATOM 84 CA GLU A 9 -6.037 19.629 2.736 1.00 0.00 C ATOM 85 C GLU A 9 -6.588 19.298 1.352 1.00 0.00 C ATOM 86 O GLU A 9 -7.545 19.916 0.889 1.00 0.00 O ATOM 87 CB GLU A 9 -7.074 20.421 3.535 1.00 0.00 C ATOM 88 CG GLU A 9 -6.628 20.755 4.948 1.00 0.00 C ATOM 89 CD GLU A 9 -7.757 21.299 5.802 1.00 0.00 C ATOM 90 OE1 GLU A 9 -8.509 20.487 6.380 1.00 0.00 O ATOM 91 OE2 GLU A 9 -7.888 22.538 5.893 1.00 0.00 O ATOM 0 H GLU A 9 -4.859 21.352 2.941 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.825 18.695 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.298 21.347 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.000 19.848 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.221 19.860 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.822 21.488 4.907 1.00 0.00 H new ATOM 98 N GLY A 10 -5.975 18.317 0.696 1.00 0.00 N ATOM 99 CA GLY A 10 -6.417 17.921 -0.628 1.00 0.00 C ATOM 100 C GLY A 10 -5.664 16.715 -1.154 1.00 0.00 C ATOM 101 O GLY A 10 -6.191 15.603 -1.208 1.00 0.00 O ATOM 0 H GLY A 10 -5.180 17.790 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.483 17.696 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.286 18.756 -1.316 1.00 0.00 H new ATOM 105 N PRO A 11 -4.402 16.928 -1.555 1.00 0.00 N ATOM 106 CA PRO A 11 -3.550 15.861 -2.087 1.00 0.00 C ATOM 107 C PRO A 11 -3.142 14.856 -1.016 1.00 0.00 C ATOM 108 O PRO A 11 -2.529 13.830 -1.314 1.00 0.00 O ATOM 109 CB PRO A 11 -2.323 16.614 -2.608 1.00 0.00 C ATOM 110 CG PRO A 11 -2.279 17.868 -1.804 1.00 0.00 C ATOM 111 CD PRO A 11 -3.711 18.228 -1.519 1.00 0.00 C ATOM 0 HA PRO A 11 -4.062 15.273 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.414 16.028 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.413 16.829 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.723 17.719 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.778 18.666 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.818 18.714 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.109 18.916 -2.265 1.00 0.00 H new ATOM 119 N LEU A 12 -3.488 15.155 0.231 1.00 0.00 N ATOM 120 CA LEU A 12 -3.159 14.275 1.348 1.00 0.00 C ATOM 121 C LEU A 12 -4.210 13.182 1.509 1.00 0.00 C ATOM 122 O LEU A 12 -3.880 12.019 1.734 1.00 0.00 O ATOM 123 CB LEU A 12 -3.044 15.083 2.642 1.00 0.00 C ATOM 124 CG LEU A 12 -1.729 15.834 2.851 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.851 16.815 4.006 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.590 14.856 3.098 1.00 0.00 C ATOM 0 H LEU A 12 -3.996 15.999 0.495 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.200 13.802 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.860 15.805 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.190 14.406 3.484 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.508 16.398 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.905 17.340 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.639 17.536 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.097 16.273 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.338 15.408 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.805 14.265 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.486 14.194 2.239 1.00 0.00 H new ATOM 138 N ASN A 13 -5.477 13.565 1.390 1.00 0.00 N ATOM 139 CA ASN A 13 -6.578 12.617 1.520 1.00 0.00 C ATOM 140 C ASN A 13 -6.608 11.652 0.339 1.00 0.00 C ATOM 141 O ASN A 13 -6.852 10.456 0.505 1.00 0.00 O ATOM 142 CB ASN A 13 -7.911 13.361 1.619 1.00 0.00 C ATOM 143 CG ASN A 13 -9.084 12.421 1.819 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.920 11.297 2.293 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.277 12.879 1.457 1.00 0.00 N ATOM 0 H ASN A 13 -5.767 14.525 1.204 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.422 12.042 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.869 14.067 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.067 13.944 0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.104 12.292 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.366 13.818 1.068 1.00 0.00 H new ATOM 152 N LEU A 14 -6.356 12.179 -0.855 1.00 0.00 N ATOM 153 CA LEU A 14 -6.353 11.366 -2.065 1.00 0.00 C ATOM 154 C LEU A 14 -5.494 10.119 -1.881 1.00 0.00 C ATOM 155 O LEU A 14 -5.883 9.021 -2.277 1.00 0.00 O ATOM 156 CB LEU A 14 -5.839 12.183 -3.252 1.00 0.00 C ATOM 157 CG LEU A 14 -6.888 12.994 -4.013 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.233 14.141 -4.766 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.662 12.099 -4.971 1.00 0.00 C ATOM 0 H LEU A 14 -6.151 13.166 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.378 11.053 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.071 12.867 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.356 11.503 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.589 13.413 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.995 14.707 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.724 14.796 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.510 13.743 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.404 12.693 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.973 11.651 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.163 11.311 -4.408 1.00 0.00 H new ATOM 171 N ALA A 15 -4.324 10.297 -1.276 1.00 0.00 N ATOM 172 CA ALA A 15 -3.412 9.186 -1.036 1.00 0.00 C ATOM 173 C ALA A 15 -3.987 8.215 -0.010 1.00 0.00 C ATOM 174 O ALA A 15 -3.659 7.028 -0.011 1.00 0.00 O ATOM 175 CB ALA A 15 -2.058 9.705 -0.574 1.00 0.00 C ATOM 0 H ALA A 15 -3.986 11.200 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.281 8.647 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.387 8.864 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.635 10.353 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.181 10.270 0.350 1.00 0.00 H new ATOM 181 N HIS A 16 -4.846 8.727 0.866 1.00 0.00 N ATOM 182 CA HIS A 16 -5.467 7.905 1.899 1.00 0.00 C ATOM 183 C HIS A 16 -6.511 6.971 1.294 1.00 0.00 C ATOM 184 O HIS A 16 -6.572 5.791 1.636 1.00 0.00 O ATOM 185 CB HIS A 16 -6.113 8.790 2.965 1.00 0.00 C ATOM 186 CG HIS A 16 -5.150 9.722 3.634 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.545 10.712 4.508 1.00 0.00 N ATOM 188 CD2 HIS A 16 -3.802 9.809 3.554 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.482 11.369 4.936 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.411 10.841 4.372 1.00 0.00 N ATOM 0 H HIS A 16 -5.128 9.707 0.881 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.689 7.299 2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.911 9.373 2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.576 8.155 3.721 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.508 10.907 4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.154 9.183 2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.488 12.197 5.629 1.00 0.00 H new ATOM 199 N GLN A 17 -7.330 7.509 0.396 1.00 0.00 N ATOM 200 CA GLN A 17 -8.372 6.723 -0.254 1.00 0.00 C ATOM 201 C GLN A 17 -7.840 5.358 -0.678 1.00 0.00 C ATOM 202 O GLN A 17 -8.412 4.325 -0.332 1.00 0.00 O ATOM 203 CB GLN A 17 -8.920 7.471 -1.471 1.00 0.00 C ATOM 204 CG GLN A 17 -9.717 8.715 -1.112 1.00 0.00 C ATOM 205 CD GLN A 17 -9.697 9.758 -2.213 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.424 9.448 -3.373 1.00 0.00 O ATOM 207 NE2 GLN A 17 -9.988 11.003 -1.854 1.00 0.00 N ATOM 0 H GLN A 17 -7.292 8.485 0.102 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.178 6.571 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.089 7.756 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.554 6.797 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.749 8.433 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.313 9.149 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.208 11.215 -0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.991 11.747 -2.551 1.00 0.00 H new ATOM 216 N GLN A 18 -6.744 5.363 -1.429 1.00 0.00 N ATOM 217 CA GLN A 18 -6.136 4.125 -1.901 1.00 0.00 C ATOM 218 C GLN A 18 -5.566 3.320 -0.738 1.00 0.00 C ATOM 219 O GLN A 18 -5.870 2.138 -0.580 1.00 0.00 O ATOM 220 CB GLN A 18 -5.032 4.428 -2.916 1.00 0.00 C ATOM 221 CG GLN A 18 -5.545 5.048 -4.206 1.00 0.00 C ATOM 222 CD GLN A 18 -6.066 4.013 -5.184 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.402 2.893 -4.800 1.00 0.00 O ATOM 224 NE2 GLN A 18 -6.138 4.385 -6.457 1.00 0.00 N ATOM 0 H GLN A 18 -6.259 6.210 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.912 3.531 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.307 5.103 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.503 3.504 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.341 5.755 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.742 5.615 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.849 5.324 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.483 3.732 -7.160 1.00 0.00 H new ATOM 233 N SER A 19 -4.737 3.969 0.074 1.00 0.00 N ATOM 234 CA SER A 19 -4.121 3.312 1.221 1.00 0.00 C ATOM 235 C SER A 19 -5.138 2.451 1.965 1.00 0.00 C ATOM 236 O SER A 19 -4.796 1.403 2.513 1.00 0.00 O ATOM 237 CB SER A 19 -3.525 4.353 2.172 1.00 0.00 C ATOM 238 OG SER A 19 -2.945 3.733 3.307 1.00 0.00 O ATOM 0 H SER A 19 -4.477 4.948 -0.041 1.00 0.00 H new ATOM 0 HA SER A 19 -3.323 2.666 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.770 4.939 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.303 5.047 2.490 1.00 0.00 H new ATOM 0 HG SER A 19 -2.570 4.419 3.898 1.00 0.00 H new ATOM 244 N ARG A 20 -6.388 2.902 1.979 1.00 0.00 N ATOM 245 CA ARG A 20 -7.454 2.174 2.656 1.00 0.00 C ATOM 246 C ARG A 20 -7.784 0.881 1.917 1.00 0.00 C ATOM 247 O ARG A 20 -7.983 -0.165 2.535 1.00 0.00 O ATOM 248 CB ARG A 20 -8.707 3.046 2.763 1.00 0.00 C ATOM 249 CG ARG A 20 -8.587 4.160 3.790 1.00 0.00 C ATOM 250 CD ARG A 20 -9.898 4.915 3.950 1.00 0.00 C ATOM 251 NE ARG A 20 -10.765 4.301 4.952 1.00 0.00 N ATOM 252 CZ ARG A 20 -10.558 4.398 6.260 1.00 0.00 C ATOM 253 NH1 ARG A 20 -9.520 5.081 6.722 1.00 0.00 N ATOM 254 NH2 ARG A 20 -11.392 3.811 7.110 1.00 0.00 N ATOM 0 H ARG A 20 -6.687 3.767 1.530 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.108 1.921 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.919 3.484 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.558 2.415 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.288 3.740 4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.802 4.853 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.690 5.947 4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.417 4.947 2.992 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.573 3.769 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.877 5.534 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.364 5.154 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.192 3.285 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.233 3.886 8.115 1.00 0.00 H new ATOM 268 N ARG A 21 -7.841 0.960 0.592 1.00 0.00 N ATOM 269 CA ARG A 21 -8.148 -0.203 -0.231 1.00 0.00 C ATOM 270 C ARG A 21 -7.092 -1.290 -0.052 1.00 0.00 C ATOM 271 O ARG A 21 -7.417 -2.467 0.098 1.00 0.00 O ATOM 272 CB ARG A 21 -8.238 0.197 -1.705 1.00 0.00 C ATOM 273 CG ARG A 21 -8.528 -0.968 -2.636 1.00 0.00 C ATOM 274 CD ARG A 21 -8.688 -0.505 -4.076 1.00 0.00 C ATOM 275 NE ARG A 21 -8.518 -1.601 -5.026 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.469 -1.432 -6.342 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.576 -0.216 -6.862 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.312 -2.479 -7.142 1.00 0.00 N ATOM 0 H ARG A 21 -7.678 1.818 0.065 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.111 -0.599 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.020 0.948 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.300 0.665 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.718 -1.695 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.437 -1.476 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.675 -0.062 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.958 0.276 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.432 -2.549 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.696 0.591 -6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.538 -0.089 -7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.229 -3.415 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.275 -2.347 -8.153 1.00 0.00 H new ATOM 292 N ALA A 22 -5.826 -0.886 -0.070 1.00 0.00 N ATOM 293 CA ALA A 22 -4.722 -1.824 0.091 1.00 0.00 C ATOM 294 C ALA A 22 -5.026 -2.847 1.181 1.00 0.00 C ATOM 295 O ALA A 22 -4.835 -4.048 0.989 1.00 0.00 O ATOM 296 CB ALA A 22 -3.436 -1.077 0.411 1.00 0.00 C ATOM 0 H ALA A 22 -5.540 0.085 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.593 -2.360 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.620 -1.790 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.203 -0.390 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.562 -0.515 1.336 1.00 0.00 H new ATOM 302 N ASP A 23 -5.499 -2.363 2.324 1.00 0.00 N ATOM 303 CA ASP A 23 -5.830 -3.236 3.445 1.00 0.00 C ATOM 304 C ASP A 23 -6.813 -4.321 3.017 1.00 0.00 C ATOM 305 O ASP A 23 -6.483 -5.507 3.018 1.00 0.00 O ATOM 306 CB ASP A 23 -6.421 -2.421 4.596 1.00 0.00 C ATOM 307 CG ASP A 23 -6.767 -3.280 5.796 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.845 -3.625 6.565 1.00 0.00 O ATOM 309 OD2 ASP A 23 -7.960 -3.608 5.966 1.00 0.00 O ATOM 0 H ASP A 23 -5.662 -1.371 2.499 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.912 -3.716 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.709 -1.652 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.318 -1.907 4.250 1.00 0.00 H new ATOM 314 N ARG A 24 -8.022 -3.907 2.652 1.00 0.00 N ATOM 315 CA ARG A 24 -9.054 -4.843 2.224 1.00 0.00 C ATOM 316 C ARG A 24 -8.469 -5.916 1.310 1.00 0.00 C ATOM 317 O ARG A 24 -8.893 -7.073 1.342 1.00 0.00 O ATOM 318 CB ARG A 24 -10.179 -4.101 1.501 1.00 0.00 C ATOM 319 CG ARG A 24 -11.264 -3.584 2.431 1.00 0.00 C ATOM 320 CD ARG A 24 -12.292 -4.661 2.740 1.00 0.00 C ATOM 321 NE ARG A 24 -13.067 -5.033 1.560 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.798 -6.140 1.479 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.854 -6.977 2.505 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.475 -6.409 0.370 1.00 0.00 N ATOM 0 H ARG A 24 -8.311 -2.929 2.644 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.460 -5.327 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.754 -3.262 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.630 -4.769 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.813 -3.233 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.759 -2.727 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.786 -5.542 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.966 -4.306 3.519 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.046 -4.409 0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.335 -6.772 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.416 -7.826 2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.435 -5.766 -0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.036 -7.259 0.308 1.00 0.00 H new ATOM 338 N LEU A 25 -7.494 -5.526 0.497 1.00 0.00 N ATOM 339 CA LEU A 25 -6.851 -6.454 -0.427 1.00 0.00 C ATOM 340 C LEU A 25 -5.911 -7.398 0.316 1.00 0.00 C ATOM 341 O LEU A 25 -5.884 -8.601 0.051 1.00 0.00 O ATOM 342 CB LEU A 25 -6.076 -5.684 -1.497 1.00 0.00 C ATOM 343 CG LEU A 25 -6.917 -5.029 -2.594 1.00 0.00 C ATOM 344 CD1 LEU A 25 -6.139 -3.908 -3.266 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.356 -6.065 -3.619 1.00 0.00 C ATOM 0 H LEU A 25 -7.131 -4.574 0.459 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.629 -7.048 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.489 -4.908 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.369 -6.367 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.808 -4.600 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.753 -3.454 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.875 -3.153 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.230 -4.312 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.953 -5.582 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.477 -6.523 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.952 -6.833 -3.127 1.00 0.00 H new ATOM 357 N LEU A 26 -5.144 -6.847 1.250 1.00 0.00 N ATOM 358 CA LEU A 26 -4.204 -7.640 2.034 1.00 0.00 C ATOM 359 C LEU A 26 -4.929 -8.738 2.807 1.00 0.00 C ATOM 360 O LEU A 26 -4.444 -9.864 2.907 1.00 0.00 O ATOM 361 CB LEU A 26 -3.434 -6.742 3.004 1.00 0.00 C ATOM 362 CG LEU A 26 -2.777 -7.446 4.193 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.486 -8.126 3.763 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.512 -6.457 5.318 1.00 0.00 C ATOM 0 H LEU A 26 -5.155 -5.854 1.483 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.501 -8.109 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.659 -6.217 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.118 -5.985 3.388 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.461 -8.210 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.032 -8.622 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.703 -8.864 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.796 -7.380 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.045 -6.975 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.847 -5.670 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.454 -6.016 5.644 1.00 0.00 H new ATOM 376 N ALA A 27 -6.095 -8.401 3.348 1.00 0.00 N ATOM 377 CA ALA A 27 -6.890 -9.359 4.107 1.00 0.00 C ATOM 378 C ALA A 27 -7.367 -10.502 3.219 1.00 0.00 C ATOM 379 O ALA A 27 -7.595 -11.615 3.692 1.00 0.00 O ATOM 380 CB ALA A 27 -8.076 -8.662 4.758 1.00 0.00 C ATOM 0 H ALA A 27 -6.510 -7.472 3.275 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.258 -9.781 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.661 -9.389 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.716 -7.885 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.702 -8.212 3.987 1.00 0.00 H new ATOM 386 N ALA A 28 -7.518 -10.220 1.929 1.00 0.00 N ATOM 387 CA ALA A 28 -7.968 -11.226 0.974 1.00 0.00 C ATOM 388 C ALA A 28 -6.786 -11.985 0.379 1.00 0.00 C ATOM 389 O ALA A 28 -6.955 -12.813 -0.514 1.00 0.00 O ATOM 390 CB ALA A 28 -8.790 -10.576 -0.129 1.00 0.00 C ATOM 0 H ALA A 28 -7.335 -9.303 1.521 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.595 -11.942 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.119 -11.339 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.660 -10.085 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.180 -9.838 -0.650 1.00 0.00 H new ATOM 396 N GLY A 29 -5.590 -11.695 0.881 1.00 0.00 N ATOM 397 CA GLY A 29 -4.398 -12.359 0.386 1.00 0.00 C ATOM 398 C GLY A 29 -3.889 -11.750 -0.906 1.00 0.00 C ATOM 399 O GLY A 29 -3.009 -12.309 -1.560 1.00 0.00 O ATOM 0 H GLY A 29 -5.425 -11.013 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.615 -12.305 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.614 -13.415 0.226 1.00 0.00 H new ATOM 403 N LYS A 30 -4.445 -10.602 -1.276 1.00 0.00 N ATOM 404 CA LYS A 30 -4.044 -9.916 -2.498 1.00 0.00 C ATOM 405 C LYS A 30 -2.919 -8.924 -2.221 1.00 0.00 C ATOM 406 O LYS A 30 -2.956 -7.783 -2.683 1.00 0.00 O ATOM 407 CB LYS A 30 -5.241 -9.187 -3.114 1.00 0.00 C ATOM 408 CG LYS A 30 -6.507 -10.024 -3.158 1.00 0.00 C ATOM 409 CD LYS A 30 -6.608 -10.815 -4.452 1.00 0.00 C ATOM 410 CE LYS A 30 -8.056 -11.085 -4.828 1.00 0.00 C ATOM 411 NZ LYS A 30 -8.552 -12.363 -4.247 1.00 0.00 N ATOM 0 H LYS A 30 -5.176 -10.126 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.680 -10.664 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.436 -8.279 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.985 -8.878 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.521 -10.709 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.377 -9.375 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.119 -10.264 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.077 -11.761 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.681 -10.262 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.149 -11.120 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.543 -12.510 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.972 -13.152 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.488 -12.321 -3.210 1.00 0.00 H new ATOM 425 N TYR A 31 -1.919 -9.367 -1.467 1.00 0.00 N ATOM 426 CA TYR A 31 -0.783 -8.517 -1.128 1.00 0.00 C ATOM 427 C TYR A 31 -0.410 -7.614 -2.300 1.00 0.00 C ATOM 428 O TYR A 31 -0.371 -6.392 -2.166 1.00 0.00 O ATOM 429 CB TYR A 31 0.419 -9.374 -0.727 1.00 0.00 C ATOM 430 CG TYR A 31 0.185 -10.199 0.519 1.00 0.00 C ATOM 431 CD1 TYR A 31 -0.351 -11.479 0.438 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.501 -9.700 1.776 1.00 0.00 C ATOM 433 CE1 TYR A 31 -0.566 -12.236 1.573 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.290 -10.451 2.917 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.244 -11.717 2.810 1.00 0.00 C ATOM 436 OH TYR A 31 -0.456 -12.469 3.943 1.00 0.00 O ATOM 0 H TYR A 31 -1.872 -10.309 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.070 -7.888 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.671 -10.040 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.280 -8.725 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.604 -11.888 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.919 -8.708 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.984 -13.229 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.542 -10.048 3.887 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.175 -11.959 4.731 1.00 0.00 H new ATOM 446 N GLU A 32 -0.137 -8.227 -3.447 1.00 0.00 N ATOM 447 CA GLU A 32 0.234 -7.479 -4.643 1.00 0.00 C ATOM 448 C GLU A 32 -0.801 -6.401 -4.953 1.00 0.00 C ATOM 449 O GLU A 32 -0.480 -5.214 -5.001 1.00 0.00 O ATOM 450 CB GLU A 32 0.376 -8.423 -5.838 1.00 0.00 C ATOM 451 CG GLU A 32 -0.438 -9.699 -5.708 1.00 0.00 C ATOM 452 CD GLU A 32 -0.737 -10.341 -7.049 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.799 -9.607 -8.057 1.00 0.00 O ATOM 454 OE2 GLU A 32 -0.907 -11.577 -7.089 1.00 0.00 O ATOM 0 H GLU A 32 -0.166 -9.239 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 32 1.193 -6.995 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.070 -7.898 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.427 -8.684 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.104 -10.409 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.376 -9.477 -5.199 1.00 0.00 H new ATOM 461 N GLU A 33 -2.044 -6.825 -5.162 1.00 0.00 N ATOM 462 CA GLU A 33 -3.125 -5.896 -5.469 1.00 0.00 C ATOM 463 C GLU A 33 -2.954 -4.589 -4.700 1.00 0.00 C ATOM 464 O GLU A 33 -3.360 -3.525 -5.166 1.00 0.00 O ATOM 465 CB GLU A 33 -4.479 -6.525 -5.132 1.00 0.00 C ATOM 466 CG GLU A 33 -4.923 -7.583 -6.128 1.00 0.00 C ATOM 467 CD GLU A 33 -4.824 -7.109 -7.565 1.00 0.00 C ATOM 468 OE1 GLU A 33 -5.754 -6.415 -8.026 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.816 -7.432 -8.228 1.00 0.00 O ATOM 0 H GLU A 33 -2.327 -7.804 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.089 -5.677 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.425 -6.972 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.234 -5.740 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.311 -8.476 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.953 -7.869 -5.914 1.00 0.00 H new ATOM 476 N ALA A 34 -2.351 -4.678 -3.520 1.00 0.00 N ATOM 477 CA ALA A 34 -2.124 -3.504 -2.687 1.00 0.00 C ATOM 478 C ALA A 34 -0.819 -2.809 -3.060 1.00 0.00 C ATOM 479 O ALA A 34 -0.761 -1.583 -3.147 1.00 0.00 O ATOM 480 CB ALA A 34 -2.116 -3.893 -1.216 1.00 0.00 C ATOM 0 H ALA A 34 -2.010 -5.552 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.940 -2.803 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.945 -3.006 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.076 -4.336 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.321 -4.616 -1.035 1.00 0.00 H new ATOM 486 N ILE A 35 0.226 -3.601 -3.277 1.00 0.00 N ATOM 487 CA ILE A 35 1.530 -3.062 -3.641 1.00 0.00 C ATOM 488 C ILE A 35 1.387 -1.820 -4.515 1.00 0.00 C ATOM 489 O ILE A 35 1.818 -0.731 -4.138 1.00 0.00 O ATOM 490 CB ILE A 35 2.383 -4.105 -4.387 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.753 -5.257 -3.450 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.634 -3.456 -4.958 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.468 -6.395 -4.144 1.00 0.00 C ATOM 0 H ILE A 35 0.195 -4.618 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 35 2.031 -2.794 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 35 1.798 -4.508 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.387 -4.875 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.846 -5.640 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.226 -4.206 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.349 -2.667 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.225 -3.029 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.699 -7.175 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.828 -6.804 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.393 -6.027 -4.588 1.00 0.00 H new ATOM 505 N SER A 36 0.777 -1.993 -5.683 1.00 0.00 N ATOM 506 CA SER A 36 0.578 -0.887 -6.612 1.00 0.00 C ATOM 507 C SER A 36 -0.035 0.316 -5.902 1.00 0.00 C ATOM 508 O SER A 36 0.534 1.409 -5.905 1.00 0.00 O ATOM 509 CB SER A 36 -0.321 -1.321 -7.771 1.00 0.00 C ATOM 510 OG SER A 36 -1.641 -1.578 -7.324 1.00 0.00 O ATOM 0 H SER A 36 0.412 -2.888 -6.008 1.00 0.00 H new ATOM 0 HA SER A 36 1.552 -0.597 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.337 -0.543 -8.534 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.089 -2.217 -8.238 1.00 0.00 H new ATOM 0 HG SER A 36 -2.196 -1.852 -8.084 1.00 0.00 H new ATOM 516 N CYS A 37 -1.197 0.107 -5.294 1.00 0.00 N ATOM 517 CA CYS A 37 -1.890 1.174 -4.580 1.00 0.00 C ATOM 518 C CYS A 37 -0.894 2.101 -3.890 1.00 0.00 C ATOM 519 O CYS A 37 -1.016 3.324 -3.963 1.00 0.00 O ATOM 520 CB CYS A 37 -2.854 0.584 -3.550 1.00 0.00 C ATOM 521 SG CYS A 37 -4.005 -0.634 -4.230 1.00 0.00 S ATOM 0 H CYS A 37 -1.680 -0.792 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.458 1.756 -5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.276 0.116 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.425 1.394 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.347 -1.690 -4.606 1.00 0.00 H new ATOM 527 N HIS A 38 0.089 1.510 -3.218 1.00 0.00 N ATOM 528 CA HIS A 38 1.106 2.283 -2.513 1.00 0.00 C ATOM 529 C HIS A 38 2.014 3.012 -3.499 1.00 0.00 C ATOM 530 O HIS A 38 2.324 4.190 -3.317 1.00 0.00 O ATOM 531 CB HIS A 38 1.938 1.370 -1.613 1.00 0.00 C ATOM 532 CG HIS A 38 1.312 1.112 -0.277 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.750 2.107 0.494 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.160 -0.036 0.423 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.281 1.582 1.612 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.517 0.283 1.593 1.00 0.00 N ATOM 0 H HIS A 38 0.203 0.499 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 38 0.600 3.025 -1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.095 0.418 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.920 1.818 -1.464 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.704 3.094 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.484 -1.020 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.212 2.123 2.406 1.00 0.00 H new ATOM 545 N ARG A 39 2.438 2.304 -4.540 1.00 0.00 N ATOM 546 CA ARG A 39 3.312 2.883 -5.553 1.00 0.00 C ATOM 547 C ARG A 39 2.675 4.120 -6.179 1.00 0.00 C ATOM 548 O ARG A 39 3.352 5.113 -6.448 1.00 0.00 O ATOM 549 CB ARG A 39 3.624 1.852 -6.639 1.00 0.00 C ATOM 550 CG ARG A 39 4.321 0.607 -6.114 1.00 0.00 C ATOM 551 CD ARG A 39 4.824 -0.270 -7.250 1.00 0.00 C ATOM 552 NE ARG A 39 5.927 -1.130 -6.831 1.00 0.00 N ATOM 553 CZ ARG A 39 6.817 -1.646 -7.671 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.734 -1.391 -8.970 1.00 0.00 N ATOM 555 NH2 ARG A 39 7.793 -2.419 -7.213 1.00 0.00 N ATOM 0 H ARG A 39 2.191 1.328 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 39 4.241 3.181 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.695 1.559 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.252 2.316 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.158 0.898 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.631 0.038 -5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.005 -0.886 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.150 0.360 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 39 6.019 -1.346 -5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.985 -0.797 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.419 -1.789 -9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.860 -2.618 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.476 -2.815 -7.859 1.00 0.00 H new ATOM 569 N LYS A 40 1.368 4.053 -6.410 1.00 0.00 N ATOM 570 CA LYS A 40 0.637 5.166 -7.003 1.00 0.00 C ATOM 571 C LYS A 40 0.629 6.372 -6.069 1.00 0.00 C ATOM 572 O LYS A 40 1.103 7.450 -6.427 1.00 0.00 O ATOM 573 CB LYS A 40 -0.799 4.747 -7.325 1.00 0.00 C ATOM 574 CG LYS A 40 -0.911 3.843 -8.540 1.00 0.00 C ATOM 575 CD LYS A 40 -2.168 2.990 -8.487 1.00 0.00 C ATOM 576 CE LYS A 40 -2.277 2.082 -9.702 1.00 0.00 C ATOM 577 NZ LYS A 40 -3.564 1.333 -9.721 1.00 0.00 N ATOM 0 H LYS A 40 0.793 3.238 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 40 1.142 5.448 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.221 4.234 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.401 5.641 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.919 4.449 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.034 3.198 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.161 2.386 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.045 3.635 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.191 2.679 -10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.446 1.376 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.600 0.726 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.636 0.744 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.357 2.006 -9.745 1.00 0.00 H new ATOM 591 N ALA A 41 0.089 6.182 -4.870 1.00 0.00 N ATOM 592 CA ALA A 41 0.023 7.253 -3.883 1.00 0.00 C ATOM 593 C ALA A 41 1.359 7.979 -3.771 1.00 0.00 C ATOM 594 O ALA A 41 1.433 9.196 -3.949 1.00 0.00 O ATOM 595 CB ALA A 41 -0.393 6.698 -2.529 1.00 0.00 C ATOM 0 H ALA A 41 -0.309 5.296 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.726 7.973 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.438 7.509 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.374 6.231 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.335 5.956 -2.201 1.00 0.00 H new ATOM 601 N THR A 42 2.414 7.227 -3.475 1.00 0.00 N ATOM 602 CA THR A 42 3.747 7.799 -3.337 1.00 0.00 C ATOM 603 C THR A 42 4.064 8.739 -4.496 1.00 0.00 C ATOM 604 O THR A 42 4.403 9.904 -4.289 1.00 0.00 O ATOM 605 CB THR A 42 4.826 6.702 -3.271 1.00 0.00 C ATOM 606 OG1 THR A 42 4.611 5.741 -4.310 1.00 0.00 O ATOM 607 CG2 THR A 42 4.808 6.007 -1.918 1.00 0.00 C ATOM 0 H THR A 42 2.371 6.219 -3.326 1.00 0.00 H new ATOM 0 HA THR A 42 3.754 8.361 -2.403 1.00 0.00 H new ATOM 0 HB THR A 42 5.800 7.172 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.921 5.105 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.578 5.236 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.001 6.737 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.832 5.549 -1.757 1.00 0.00 H new ATOM 615 N THR A 43 3.951 8.224 -5.716 1.00 0.00 N ATOM 616 CA THR A 43 4.226 9.017 -6.908 1.00 0.00 C ATOM 617 C THR A 43 3.542 10.378 -6.833 1.00 0.00 C ATOM 618 O THR A 43 4.190 11.417 -6.961 1.00 0.00 O ATOM 619 CB THR A 43 3.761 8.292 -8.185 1.00 0.00 C ATOM 620 OG1 THR A 43 4.443 7.039 -8.312 1.00 0.00 O ATOM 621 CG2 THR A 43 4.023 9.144 -9.417 1.00 0.00 C ATOM 0 H THR A 43 3.671 7.262 -5.905 1.00 0.00 H new ATOM 0 HA THR A 43 5.306 9.158 -6.951 1.00 0.00 H new ATOM 0 HB THR A 43 2.688 8.116 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.056 6.391 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.686 8.611 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.480 10.085 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.091 9.347 -9.498 1.00 0.00 H new ATOM 629 N TYR A 44 2.230 10.365 -6.625 1.00 0.00 N ATOM 630 CA TYR A 44 1.458 11.598 -6.535 1.00 0.00 C ATOM 631 C TYR A 44 2.004 12.503 -5.435 1.00 0.00 C ATOM 632 O TYR A 44 2.038 13.726 -5.580 1.00 0.00 O ATOM 633 CB TYR A 44 -0.015 11.285 -6.269 1.00 0.00 C ATOM 634 CG TYR A 44 -0.872 12.516 -6.083 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.766 13.597 -6.950 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.788 12.599 -5.041 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.547 14.725 -6.784 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.574 13.722 -4.869 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.449 14.782 -5.742 1.00 0.00 C ATOM 640 OH TYR A 44 -3.229 15.903 -5.573 1.00 0.00 O ATOM 0 H TYR A 44 1.679 9.514 -6.516 1.00 0.00 H new ATOM 0 HA TYR A 44 1.544 12.121 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.409 10.700 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.090 10.662 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.061 13.555 -7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.887 11.772 -4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.452 15.557 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.282 13.769 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.175 15.655 -5.634 1.00 0.00 H new ATOM 650 N LEU A 45 2.431 11.894 -4.334 1.00 0.00 N ATOM 651 CA LEU A 45 2.977 12.643 -3.208 1.00 0.00 C ATOM 652 C LEU A 45 4.295 13.311 -3.585 1.00 0.00 C ATOM 653 O LEU A 45 4.541 14.464 -3.232 1.00 0.00 O ATOM 654 CB LEU A 45 3.187 11.717 -2.008 1.00 0.00 C ATOM 655 CG LEU A 45 1.923 11.105 -1.403 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.274 10.218 -0.219 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.950 12.198 -0.983 1.00 0.00 C ATOM 0 H LEU A 45 2.410 10.883 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 45 2.261 13.420 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.850 10.906 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.704 12.277 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 45 1.441 10.489 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.362 9.791 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.933 9.415 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.779 10.811 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.056 11.744 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.423 12.840 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.673 12.793 -1.853 1.00 0.00 H new ATOM 669 N SER A 46 5.138 12.580 -4.308 1.00 0.00 N ATOM 670 CA SER A 46 6.431 13.102 -4.733 1.00 0.00 C ATOM 671 C SER A 46 6.256 14.271 -5.697 1.00 0.00 C ATOM 672 O SER A 46 7.165 15.080 -5.880 1.00 0.00 O ATOM 673 CB SER A 46 7.257 11.998 -5.397 1.00 0.00 C ATOM 674 OG SER A 46 8.643 12.277 -5.313 1.00 0.00 O ATOM 0 H SER A 46 4.948 11.625 -4.611 1.00 0.00 H new ATOM 0 HA SER A 46 6.959 13.460 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.046 11.043 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.965 11.900 -6.443 1.00 0.00 H new ATOM 0 HG SER A 46 9.148 11.556 -5.743 1.00 0.00 H new ATOM 680 N GLU A 47 5.079 14.352 -6.312 1.00 0.00 N ATOM 681 CA GLU A 47 4.784 15.421 -7.258 1.00 0.00 C ATOM 682 C GLU A 47 4.254 16.656 -6.535 1.00 0.00 C ATOM 683 O GLU A 47 4.628 17.784 -6.856 1.00 0.00 O ATOM 684 CB GLU A 47 3.765 14.947 -8.296 1.00 0.00 C ATOM 685 CG GLU A 47 4.395 14.275 -9.505 1.00 0.00 C ATOM 686 CD GLU A 47 4.747 15.261 -10.602 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.050 16.290 -10.721 1.00 0.00 O ATOM 688 OE2 GLU A 47 5.719 15.003 -11.342 1.00 0.00 O ATOM 0 H GLU A 47 4.316 13.690 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 47 5.711 15.688 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.074 14.250 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.176 15.801 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.296 13.746 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.707 13.528 -9.900 1.00 0.00 H new ATOM 695 N ALA A 48 3.380 16.433 -5.560 1.00 0.00 N ATOM 696 CA ALA A 48 2.799 17.527 -4.791 1.00 0.00 C ATOM 697 C ALA A 48 3.884 18.426 -4.208 1.00 0.00 C ATOM 698 O ALA A 48 3.912 19.628 -4.468 1.00 0.00 O ATOM 699 CB ALA A 48 1.912 16.979 -3.681 1.00 0.00 C ATOM 0 H ALA A 48 3.058 15.505 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 48 2.190 18.128 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.485 17.807 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.109 16.385 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.507 16.353 -3.016 1.00 0.00 H new ATOM 705 N MET A 49 4.775 17.834 -3.419 1.00 0.00 N ATOM 706 CA MET A 49 5.863 18.583 -2.800 1.00 0.00 C ATOM 707 C MET A 49 6.717 19.275 -3.857 1.00 0.00 C ATOM 708 O MET A 49 7.303 20.328 -3.605 1.00 0.00 O ATOM 709 CB MET A 49 6.733 17.652 -1.953 1.00 0.00 C ATOM 710 CG MET A 49 7.284 16.465 -2.726 1.00 0.00 C ATOM 711 SD MET A 49 8.115 15.269 -1.663 1.00 0.00 S ATOM 712 CE MET A 49 6.971 15.186 -0.287 1.00 0.00 C ATOM 0 H MET A 49 4.765 16.839 -3.193 1.00 0.00 H new ATOM 0 HA MET A 49 5.426 19.346 -2.156 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.564 18.222 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.146 17.286 -1.111 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.469 15.971 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.984 16.822 -3.482 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.077 14.225 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.188 15.990 0.416 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.951 15.292 -0.655 1.00 0.00 H new ATOM 722 N LYS A 50 6.784 18.677 -5.042 1.00 0.00 N ATOM 723 CA LYS A 50 7.565 19.236 -6.138 1.00 0.00 C ATOM 724 C LYS A 50 6.825 20.395 -6.799 1.00 0.00 C ATOM 725 O LYS A 50 7.340 21.030 -7.720 1.00 0.00 O ATOM 726 CB LYS A 50 7.871 18.154 -7.177 1.00 0.00 C ATOM 727 CG LYS A 50 9.084 17.307 -6.833 1.00 0.00 C ATOM 728 CD LYS A 50 9.184 16.086 -7.733 1.00 0.00 C ATOM 729 CE LYS A 50 9.771 16.441 -9.090 1.00 0.00 C ATOM 730 NZ LYS A 50 9.391 15.450 -10.135 1.00 0.00 N ATOM 0 H LYS A 50 6.306 17.804 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 50 8.502 19.613 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.002 17.504 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.031 18.627 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.988 17.908 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.024 16.989 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.805 15.329 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.194 15.649 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.427 17.432 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.857 16.490 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.811 15.727 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.741 14.509 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.355 15.421 -10.226 1.00 0.00 H new ATOM 744 N LEU A 51 5.615 20.666 -6.322 1.00 0.00 N ATOM 745 CA LEU A 51 4.804 21.750 -6.866 1.00 0.00 C ATOM 746 C LEU A 51 4.563 22.829 -5.815 1.00 0.00 C ATOM 747 O LEU A 51 4.860 24.003 -6.035 1.00 0.00 O ATOM 748 CB LEU A 51 3.467 21.208 -7.373 1.00 0.00 C ATOM 749 CG LEU A 51 2.394 22.252 -7.686 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.737 23.004 -8.962 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.027 21.594 -7.802 1.00 0.00 C ATOM 0 H LEU A 51 5.174 20.151 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 51 5.348 22.195 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.653 20.625 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.070 20.521 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 51 2.361 22.968 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.962 23.742 -9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.696 23.508 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.799 22.301 -9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.276 22.352 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.046 20.855 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.779 21.103 -6.861 1.00 0.00 H new ATOM 763 N THR A 52 4.023 22.422 -4.670 1.00 0.00 N ATOM 764 CA THR A 52 3.743 23.353 -3.584 1.00 0.00 C ATOM 765 C THR A 52 4.831 24.416 -3.476 1.00 0.00 C ATOM 766 O THR A 52 4.539 25.605 -3.358 1.00 0.00 O ATOM 767 CB THR A 52 3.620 22.621 -2.234 1.00 0.00 C ATOM 768 OG1 THR A 52 3.512 23.573 -1.169 1.00 0.00 O ATOM 769 CG2 THR A 52 4.823 21.721 -1.996 1.00 0.00 C ATOM 0 H THR A 52 3.771 21.454 -4.471 1.00 0.00 H new ATOM 0 HA THR A 52 2.792 23.833 -3.817 1.00 0.00 H new ATOM 0 HB THR A 52 2.723 22.003 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.572 23.665 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.714 21.214 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.886 20.980 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.732 22.323 -1.987 1.00 0.00 H new ATOM 777 N GLU A 53 6.085 23.978 -3.519 1.00 0.00 N ATOM 778 CA GLU A 53 7.216 24.894 -3.425 1.00 0.00 C ATOM 779 C GLU A 53 7.220 25.618 -2.082 1.00 0.00 C ATOM 780 O GLU A 53 7.690 26.752 -1.978 1.00 0.00 O ATOM 781 CB GLU A 53 7.172 25.912 -4.567 1.00 0.00 C ATOM 782 CG GLU A 53 8.545 26.381 -5.018 1.00 0.00 C ATOM 783 CD GLU A 53 9.359 26.977 -3.886 1.00 0.00 C ATOM 784 OE1 GLU A 53 9.932 26.200 -3.094 1.00 0.00 O ATOM 785 OE2 GLU A 53 9.423 28.221 -3.792 1.00 0.00 O ATOM 0 H GLU A 53 6.343 22.996 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 53 8.132 24.309 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.651 25.470 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.588 26.776 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.089 25.540 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.430 27.123 -5.808 1.00 0.00 H new ATOM 792 N SER A 54 6.694 24.956 -1.058 1.00 0.00 N ATOM 793 CA SER A 54 6.632 25.538 0.278 1.00 0.00 C ATOM 794 C SER A 54 7.341 24.645 1.292 1.00 0.00 C ATOM 795 O SER A 54 7.631 23.482 1.015 1.00 0.00 O ATOM 796 CB SER A 54 5.176 25.750 0.699 1.00 0.00 C ATOM 797 OG SER A 54 5.082 26.690 1.755 1.00 0.00 O ATOM 0 H SER A 54 6.304 24.016 -1.127 1.00 0.00 H new ATOM 0 HA SER A 54 7.139 26.503 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.594 26.098 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.743 24.800 1.014 1.00 0.00 H new ATOM 0 HG SER A 54 4.142 26.809 2.004 1.00 0.00 H new ATOM 803 N GLU A 55 7.618 25.201 2.468 1.00 0.00 N ATOM 804 CA GLU A 55 8.295 24.456 3.523 1.00 0.00 C ATOM 805 C GLU A 55 7.308 23.575 4.285 1.00 0.00 C ATOM 806 O GLU A 55 7.383 22.348 4.225 1.00 0.00 O ATOM 807 CB GLU A 55 8.990 25.416 4.491 1.00 0.00 C ATOM 808 CG GLU A 55 10.085 24.761 5.316 1.00 0.00 C ATOM 809 CD GLU A 55 10.833 25.754 6.185 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.486 26.659 5.625 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.765 25.624 7.425 1.00 0.00 O ATOM 0 H GLU A 55 7.384 26.163 2.713 1.00 0.00 H new ATOM 0 HA GLU A 55 9.044 23.816 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.419 26.243 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.246 25.843 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.646 23.989 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.790 24.264 4.649 1.00 0.00 H new ATOM 818 N GLN A 56 6.387 24.211 5.001 1.00 0.00 N ATOM 819 CA GLN A 56 5.387 23.486 5.776 1.00 0.00 C ATOM 820 C GLN A 56 4.666 22.459 4.908 1.00 0.00 C ATOM 821 O GLN A 56 4.697 21.261 5.192 1.00 0.00 O ATOM 822 CB GLN A 56 4.374 24.460 6.381 1.00 0.00 C ATOM 823 CG GLN A 56 4.835 25.081 7.690 1.00 0.00 C ATOM 824 CD GLN A 56 4.601 24.172 8.881 1.00 0.00 C ATOM 825 OE1 GLN A 56 5.492 23.206 9.073 1.00 0.00 O flip ATOM 826 NE2 GLN A 56 3.630 24.337 9.620 1.00 0.00 N flip ATOM 0 H GLN A 56 6.312 25.227 5.061 1.00 0.00 H new ATOM 0 HA GLN A 56 5.900 22.960 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.172 25.255 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.433 23.936 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.897 25.318 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.308 26.022 7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.970 25.093 9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.485 23.718 10.418 1.00 0.00 H new ATOM 835 N ALA A 57 4.018 22.935 3.851 1.00 0.00 N ATOM 836 CA ALA A 57 3.291 22.058 2.941 1.00 0.00 C ATOM 837 C ALA A 57 4.124 20.835 2.575 1.00 0.00 C ATOM 838 O ALA A 57 3.667 19.699 2.704 1.00 0.00 O ATOM 839 CB ALA A 57 2.885 22.818 1.687 1.00 0.00 C ATOM 0 H ALA A 57 3.981 23.924 3.603 1.00 0.00 H new ATOM 0 HA ALA A 57 2.391 21.713 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.343 22.151 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.244 23.656 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.776 23.192 1.184 1.00 0.00 H new ATOM 845 N HIS A 58 5.348 21.074 2.117 1.00 0.00 N ATOM 846 CA HIS A 58 6.246 19.991 1.731 1.00 0.00 C ATOM 847 C HIS A 58 6.444 19.013 2.885 1.00 0.00 C ATOM 848 O HIS A 58 6.323 17.799 2.712 1.00 0.00 O ATOM 849 CB HIS A 58 7.596 20.553 1.286 1.00 0.00 C ATOM 850 CG HIS A 58 8.562 19.502 0.831 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.880 18.394 1.587 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.278 19.394 -0.312 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.752 17.651 0.930 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.010 18.236 -0.226 1.00 0.00 N ATOM 0 H HIS A 58 5.741 22.008 2.004 1.00 0.00 H new ATOM 0 HA HIS A 58 5.792 19.455 0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.435 21.263 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.039 21.109 2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.274 20.089 -1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.181 16.723 1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.649 17.884 -0.939 1.00 0.00 H new ATOM 863 N LEU A 59 6.749 19.548 4.062 1.00 0.00 N ATOM 864 CA LEU A 59 6.965 18.723 5.245 1.00 0.00 C ATOM 865 C LEU A 59 5.796 17.767 5.463 1.00 0.00 C ATOM 866 O LEU A 59 5.992 16.577 5.708 1.00 0.00 O ATOM 867 CB LEU A 59 7.154 19.606 6.480 1.00 0.00 C ATOM 868 CG LEU A 59 8.591 20.020 6.796 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.289 20.526 5.543 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.613 21.080 7.887 1.00 0.00 C ATOM 0 H LEU A 59 6.852 20.550 4.222 1.00 0.00 H new ATOM 0 HA LEU A 59 7.868 18.133 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.557 20.509 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.751 19.078 7.344 1.00 0.00 H new ATOM 0 HG LEU A 59 9.130 19.144 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.311 20.816 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.306 19.736 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.751 21.389 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.644 21.363 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.058 21.957 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.153 20.681 8.791 1.00 0.00 H new ATOM 882 N SER A 60 4.581 18.296 5.370 1.00 0.00 N ATOM 883 CA SER A 60 3.380 17.491 5.559 1.00 0.00 C ATOM 884 C SER A 60 3.380 16.288 4.620 1.00 0.00 C ATOM 885 O SER A 60 2.701 15.291 4.870 1.00 0.00 O ATOM 886 CB SER A 60 2.129 18.339 5.320 1.00 0.00 C ATOM 887 OG SER A 60 1.733 19.009 6.504 1.00 0.00 O ATOM 0 H SER A 60 4.402 19.279 5.165 1.00 0.00 H new ATOM 0 HA SER A 60 3.373 17.128 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.325 19.068 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.316 17.703 4.969 1.00 0.00 H new ATOM 0 HG SER A 60 0.933 19.545 6.324 1.00 0.00 H new ATOM 893 N LEU A 61 4.145 16.389 3.539 1.00 0.00 N ATOM 894 CA LEU A 61 4.235 15.310 2.561 1.00 0.00 C ATOM 895 C LEU A 61 5.413 14.392 2.871 1.00 0.00 C ATOM 896 O LEU A 61 5.236 13.195 3.093 1.00 0.00 O ATOM 897 CB LEU A 61 4.378 15.885 1.151 1.00 0.00 C ATOM 898 CG LEU A 61 3.340 16.931 0.743 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.791 17.673 -0.505 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.984 16.277 0.517 1.00 0.00 C ATOM 0 H LEU A 61 4.712 17.207 3.317 1.00 0.00 H new ATOM 0 HA LEU A 61 3.318 14.724 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.368 16.331 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.334 15.061 0.438 1.00 0.00 H new ATOM 0 HG LEU A 61 3.242 17.653 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.039 18.413 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.739 18.174 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.919 16.964 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.258 17.036 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.066 15.533 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.656 15.793 1.437 1.00 0.00 H new ATOM 912 N GLU A 62 6.614 14.962 2.885 1.00 0.00 N ATOM 913 CA GLU A 62 7.820 14.193 3.168 1.00 0.00 C ATOM 914 C GLU A 62 7.586 13.218 4.318 1.00 0.00 C ATOM 915 O GLU A 62 8.262 12.194 4.427 1.00 0.00 O ATOM 916 CB GLU A 62 8.980 15.131 3.508 1.00 0.00 C ATOM 917 CG GLU A 62 9.036 15.524 4.975 1.00 0.00 C ATOM 918 CD GLU A 62 10.254 16.363 5.309 1.00 0.00 C ATOM 919 OE1 GLU A 62 11.374 15.811 5.299 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.087 17.570 5.580 1.00 0.00 O ATOM 0 H GLU A 62 6.777 15.952 2.704 1.00 0.00 H new ATOM 0 HA GLU A 62 8.074 13.621 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.918 14.649 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.896 16.033 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.135 16.080 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.041 14.623 5.589 1.00 0.00 H new ATOM 927 N LEU A 63 6.624 13.543 5.175 1.00 0.00 N ATOM 928 CA LEU A 63 6.300 12.697 6.318 1.00 0.00 C ATOM 929 C LEU A 63 5.268 11.640 5.938 1.00 0.00 C ATOM 930 O LEU A 63 5.413 10.467 6.280 1.00 0.00 O ATOM 931 CB LEU A 63 5.772 13.548 7.475 1.00 0.00 C ATOM 932 CG LEU A 63 6.797 14.445 8.170 1.00 0.00 C ATOM 933 CD1 LEU A 63 6.098 15.508 9.003 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.732 13.615 9.036 1.00 0.00 C ATOM 0 H LEU A 63 6.055 14.386 5.100 1.00 0.00 H new ATOM 0 HA LEU A 63 7.212 12.191 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.965 14.176 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.337 12.882 8.220 1.00 0.00 H new ATOM 0 HG LEU A 63 7.391 14.945 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.843 16.137 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.471 16.123 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.478 15.028 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.455 14.270 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.153 13.087 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.259 12.892 8.413 1.00 0.00 H new ATOM 946 N GLN A 64 4.228 12.064 5.227 1.00 0.00 N ATOM 947 CA GLN A 64 3.174 11.153 4.799 1.00 0.00 C ATOM 948 C GLN A 64 3.721 10.095 3.847 1.00 0.00 C ATOM 949 O GLN A 64 3.234 8.965 3.813 1.00 0.00 O ATOM 950 CB GLN A 64 2.043 11.930 4.122 1.00 0.00 C ATOM 951 CG GLN A 64 0.878 11.055 3.689 1.00 0.00 C ATOM 952 CD GLN A 64 -0.446 11.794 3.710 1.00 0.00 C ATOM 953 OE1 GLN A 64 -1.100 11.948 2.678 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.848 12.257 4.888 1.00 0.00 N ATOM 0 H GLN A 64 4.093 13.032 4.936 1.00 0.00 H new ATOM 0 HA GLN A 64 2.782 10.651 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.677 12.694 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.441 12.448 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.065 10.680 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.816 10.188 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.274 12.107 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.730 12.763 4.963 1.00 0.00 H new ATOM 963 N ARG A 65 4.736 10.470 3.074 1.00 0.00 N ATOM 964 CA ARG A 65 5.348 9.553 2.120 1.00 0.00 C ATOM 965 C ARG A 65 6.050 8.407 2.841 1.00 0.00 C ATOM 966 O ARG A 65 5.943 7.248 2.438 1.00 0.00 O ATOM 967 CB ARG A 65 6.347 10.300 1.233 1.00 0.00 C ATOM 968 CG ARG A 65 6.806 9.499 0.025 1.00 0.00 C ATOM 969 CD ARG A 65 7.356 10.403 -1.066 1.00 0.00 C ATOM 970 NE ARG A 65 8.306 9.705 -1.928 1.00 0.00 N ATOM 971 CZ ARG A 65 9.592 9.551 -1.633 1.00 0.00 C ATOM 972 NH1 ARG A 65 10.079 10.044 -0.502 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.393 8.903 -2.468 1.00 0.00 N ATOM 0 H ARG A 65 5.151 11.402 3.090 1.00 0.00 H new ATOM 0 HA ARG A 65 4.558 9.136 1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.892 11.229 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.217 10.572 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.573 8.786 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.970 8.920 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.533 10.785 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.845 11.264 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 65 7.963 9.314 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.466 10.542 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.067 9.925 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.022 8.522 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.380 8.786 -2.240 1.00 0.00 H new ATOM 987 N ASP A 66 6.768 8.737 3.909 1.00 0.00 N ATOM 988 CA ASP A 66 7.488 7.735 4.687 1.00 0.00 C ATOM 989 C ASP A 66 6.642 6.479 4.869 1.00 0.00 C ATOM 990 O ASP A 66 7.014 5.397 4.414 1.00 0.00 O ATOM 991 CB ASP A 66 7.879 8.303 6.052 1.00 0.00 C ATOM 992 CG ASP A 66 8.520 7.263 6.950 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.680 6.884 6.684 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.861 6.827 7.917 1.00 0.00 O ATOM 0 H ASP A 66 6.867 9.691 4.256 1.00 0.00 H new ATOM 0 HA ASP A 66 8.392 7.467 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.571 9.134 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.993 8.705 6.542 1.00 0.00 H new ATOM 999 N SER A 67 5.503 6.629 5.537 1.00 0.00 N ATOM 1000 CA SER A 67 4.607 5.506 5.784 1.00 0.00 C ATOM 1001 C SER A 67 4.192 4.845 4.473 1.00 0.00 C ATOM 1002 O SER A 67 4.453 3.662 4.251 1.00 0.00 O ATOM 1003 CB SER A 67 3.367 5.973 6.548 1.00 0.00 C ATOM 1004 OG SER A 67 3.727 6.743 7.682 1.00 0.00 O ATOM 0 H SER A 67 5.179 7.518 5.917 1.00 0.00 H new ATOM 0 HA SER A 67 5.141 4.773 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.732 6.565 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.782 5.108 6.862 1.00 0.00 H new ATOM 0 HG SER A 67 2.917 7.031 8.152 1.00 0.00 H new ATOM 1010 N HIS A 68 3.543 5.617 3.608 1.00 0.00 N ATOM 1011 CA HIS A 68 3.091 5.108 2.318 1.00 0.00 C ATOM 1012 C HIS A 68 4.097 4.116 1.742 1.00 0.00 C ATOM 1013 O HIS A 68 3.728 3.197 1.011 1.00 0.00 O ATOM 1014 CB HIS A 68 2.876 6.261 1.337 1.00 0.00 C ATOM 1015 CG HIS A 68 1.536 6.917 1.468 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.199 8.181 1.818 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.349 6.258 1.228 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.171 8.262 1.783 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.660 7.089 1.423 1.00 0.00 N flip ATOM 0 H HIS A 68 3.318 6.598 3.777 1.00 0.00 H new ATOM 0 HA HIS A 68 2.144 4.591 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.654 7.009 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.991 5.888 0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.258 5.225 0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.754 9.142 2.012 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.649 6.863 1.314 1.00 0.00 H new ATOM 1028 N MET A 69 5.368 4.309 2.077 1.00 0.00 N ATOM 1029 CA MET A 69 6.427 3.430 1.594 1.00 0.00 C ATOM 1030 C MET A 69 6.723 2.327 2.605 1.00 0.00 C ATOM 1031 O MET A 69 6.935 1.172 2.236 1.00 0.00 O ATOM 1032 CB MET A 69 7.698 4.235 1.313 1.00 0.00 C ATOM 1033 CG MET A 69 7.748 4.821 -0.089 1.00 0.00 C ATOM 1034 SD MET A 69 7.680 3.557 -1.373 1.00 0.00 S ATOM 1035 CE MET A 69 9.034 2.495 -0.876 1.00 0.00 C ATOM 0 H MET A 69 5.690 5.066 2.681 1.00 0.00 H new ATOM 0 HA MET A 69 6.086 2.967 0.668 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.774 5.044 2.039 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.566 3.592 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.915 5.511 -0.220 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.664 5.401 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.317 1.852 -1.709 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.888 3.107 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.723 1.880 -0.032 1.00 0.00 H new ATOM 1045 N LYS A 70 6.736 2.691 3.883 1.00 0.00 N ATOM 1046 CA LYS A 70 7.004 1.733 4.949 1.00 0.00 C ATOM 1047 C LYS A 70 6.085 0.521 4.835 1.00 0.00 C ATOM 1048 O LYS A 70 6.496 -0.608 5.103 1.00 0.00 O ATOM 1049 CB LYS A 70 6.825 2.396 6.316 1.00 0.00 C ATOM 1050 CG LYS A 70 5.420 2.262 6.878 1.00 0.00 C ATOM 1051 CD LYS A 70 5.337 2.781 8.303 1.00 0.00 C ATOM 1052 CE LYS A 70 4.028 2.381 8.967 1.00 0.00 C ATOM 1053 NZ LYS A 70 3.902 2.956 10.335 1.00 0.00 N ATOM 0 H LYS A 70 6.564 3.643 4.206 1.00 0.00 H new ATOM 0 HA LYS A 70 8.035 1.395 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.532 1.956 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.075 3.454 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.721 2.813 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.115 1.216 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.174 2.391 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.428 3.867 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.192 2.717 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.966 1.294 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.997 2.661 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.686 2.616 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.935 3.994 10.280 1.00 0.00 H new ATOM 1067 N GLN A 71 4.841 0.763 4.435 1.00 0.00 N ATOM 1068 CA GLN A 71 3.865 -0.310 4.286 1.00 0.00 C ATOM 1069 C GLN A 71 4.165 -1.151 3.050 1.00 0.00 C ATOM 1070 O GLN A 71 4.018 -2.374 3.067 1.00 0.00 O ATOM 1071 CB GLN A 71 2.451 0.267 4.193 1.00 0.00 C ATOM 1072 CG GLN A 71 1.765 0.417 5.541 1.00 0.00 C ATOM 1073 CD GLN A 71 1.817 -0.854 6.367 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.285 -1.890 5.966 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.460 -0.782 7.526 1.00 0.00 N ATOM 0 H GLN A 71 4.485 1.692 4.208 1.00 0.00 H new ATOM 0 HA GLN A 71 3.931 -0.951 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.497 1.242 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.846 -0.378 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.238 1.227 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.725 0.702 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.886 0.097 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.528 -1.606 8.124 1.00 0.00 H new ATOM 1084 N LEU A 72 4.587 -0.489 1.978 1.00 0.00 N ATOM 1085 CA LEU A 72 4.908 -1.176 0.732 1.00 0.00 C ATOM 1086 C LEU A 72 5.946 -2.269 0.964 1.00 0.00 C ATOM 1087 O LEU A 72 5.756 -3.417 0.561 1.00 0.00 O ATOM 1088 CB LEU A 72 5.426 -0.177 -0.305 1.00 0.00 C ATOM 1089 CG LEU A 72 6.105 -0.779 -1.536 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.269 -1.914 -2.106 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.344 0.292 -2.590 1.00 0.00 C ATOM 0 H LEU A 72 4.715 0.522 1.947 1.00 0.00 H new ATOM 0 HA LEU A 72 3.996 -1.641 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.589 0.436 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.134 0.491 0.185 1.00 0.00 H new ATOM 0 HG LEU A 72 7.070 -1.184 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.768 -2.330 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.150 -2.692 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.288 -1.535 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.828 -0.154 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.391 0.727 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.985 1.071 -2.178 1.00 0.00 H new ATOM 1103 N LEU A 73 7.043 -1.906 1.619 1.00 0.00 N ATOM 1104 CA LEU A 73 8.112 -2.856 1.908 1.00 0.00 C ATOM 1105 C LEU A 73 7.617 -3.968 2.827 1.00 0.00 C ATOM 1106 O LEU A 73 8.094 -5.102 2.759 1.00 0.00 O ATOM 1107 CB LEU A 73 9.300 -2.138 2.552 1.00 0.00 C ATOM 1108 CG LEU A 73 9.640 -0.761 1.981 1.00 0.00 C ATOM 1109 CD1 LEU A 73 10.852 -0.175 2.689 1.00 0.00 C ATOM 1110 CD2 LEU A 73 9.888 -0.850 0.482 1.00 0.00 C ATOM 0 H LEU A 73 7.216 -0.960 1.960 1.00 0.00 H new ATOM 0 HA LEU A 73 8.432 -3.302 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.099 -2.028 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.179 -2.776 2.458 1.00 0.00 H new ATOM 0 HG LEU A 73 8.790 -0.100 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.080 0.805 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.638 -0.074 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.708 -0.836 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.128 0.140 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.720 -1.527 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.993 -1.226 -0.013 1.00 0.00 H new ATOM 1122 N LEU A 74 6.657 -3.638 3.684 1.00 0.00 N ATOM 1123 CA LEU A 74 6.096 -4.610 4.616 1.00 0.00 C ATOM 1124 C LEU A 74 5.211 -5.615 3.886 1.00 0.00 C ATOM 1125 O LEU A 74 5.314 -6.822 4.107 1.00 0.00 O ATOM 1126 CB LEU A 74 5.288 -3.897 5.701 1.00 0.00 C ATOM 1127 CG LEU A 74 6.081 -3.397 6.909 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.238 -2.447 7.746 1.00 0.00 C ATOM 1129 CD2 LEU A 74 6.564 -4.568 7.752 1.00 0.00 C ATOM 0 H LEU A 74 6.251 -2.705 3.753 1.00 0.00 H new ATOM 0 HA LEU A 74 6.921 -5.150 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.780 -3.046 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.514 -4.578 6.056 1.00 0.00 H new ATOM 0 HG LEU A 74 6.953 -2.852 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.819 -2.102 8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.943 -1.591 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.347 -2.966 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.126 -4.193 8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.706 -5.141 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.206 -5.210 7.149 1.00 0.00 H new ATOM 1141 N ILE A 75 4.345 -5.110 3.014 1.00 0.00 N ATOM 1142 CA ILE A 75 3.445 -5.965 2.249 1.00 0.00 C ATOM 1143 C ILE A 75 4.217 -6.825 1.254 1.00 0.00 C ATOM 1144 O ILE A 75 3.955 -8.019 1.118 1.00 0.00 O ATOM 1145 CB ILE A 75 2.394 -5.137 1.487 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.557 -4.310 2.465 1.00 0.00 C ATOM 1147 CG2 ILE A 75 1.503 -6.047 0.656 1.00 0.00 C ATOM 1148 CD1 ILE A 75 0.555 -3.402 1.786 1.00 0.00 C ATOM 0 H ILE A 75 4.247 -4.113 2.819 1.00 0.00 H new ATOM 0 HA ILE A 75 2.937 -6.610 2.966 1.00 0.00 H new ATOM 0 HB ILE A 75 2.911 -4.454 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.027 -4.985 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.224 -3.706 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.765 -5.447 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.112 -6.595 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.992 -6.753 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.002 -2.847 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.080 -2.703 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.136 -4.001 1.193 1.00 0.00 H new ATOM 1160 N GLN A 76 5.171 -6.209 0.564 1.00 0.00 N ATOM 1161 CA GLN A 76 5.983 -6.919 -0.418 1.00 0.00 C ATOM 1162 C GLN A 76 6.688 -8.112 0.219 1.00 0.00 C ATOM 1163 O GLN A 76 6.499 -9.253 -0.201 1.00 0.00 O ATOM 1164 CB GLN A 76 7.013 -5.974 -1.039 1.00 0.00 C ATOM 1165 CG GLN A 76 6.477 -5.182 -2.221 1.00 0.00 C ATOM 1166 CD GLN A 76 7.577 -4.703 -3.148 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.950 -5.394 -4.096 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.102 -3.513 -2.879 1.00 0.00 N ATOM 0 H GLN A 76 5.401 -5.221 0.666 1.00 0.00 H new ATOM 0 HA GLN A 76 5.321 -7.288 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.363 -5.279 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.877 -6.554 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.778 -5.802 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.916 -4.322 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.762 -2.974 -2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.845 -3.138 -3.469 1.00 0.00 H new ATOM 1177 N GLU A 77 7.501 -7.839 1.235 1.00 0.00 N ATOM 1178 CA GLU A 77 8.235 -8.891 1.929 1.00 0.00 C ATOM 1179 C GLU A 77 7.286 -9.972 2.438 1.00 0.00 C ATOM 1180 O GLU A 77 7.623 -11.156 2.442 1.00 0.00 O ATOM 1181 CB GLU A 77 9.030 -8.303 3.097 1.00 0.00 C ATOM 1182 CG GLU A 77 8.217 -8.152 4.372 1.00 0.00 C ATOM 1183 CD GLU A 77 8.285 -9.382 5.256 1.00 0.00 C ATOM 1184 OE1 GLU A 77 8.948 -10.362 4.858 1.00 0.00 O ATOM 1185 OE2 GLU A 77 7.677 -9.364 6.346 1.00 0.00 O ATOM 0 H GLU A 77 7.668 -6.899 1.595 1.00 0.00 H new ATOM 0 HA GLU A 77 8.927 -9.345 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.890 -8.942 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.419 -7.327 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.579 -7.288 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.177 -7.952 4.114 1.00 0.00 H new ATOM 1192 N ARG A 78 6.100 -9.555 2.867 1.00 0.00 N ATOM 1193 CA ARG A 78 5.102 -10.487 3.380 1.00 0.00 C ATOM 1194 C ARG A 78 4.551 -11.364 2.259 1.00 0.00 C ATOM 1195 O ARG A 78 3.910 -12.384 2.515 1.00 0.00 O ATOM 1196 CB ARG A 78 3.960 -9.724 4.053 1.00 0.00 C ATOM 1197 CG ARG A 78 4.326 -9.156 5.415 1.00 0.00 C ATOM 1198 CD ARG A 78 4.445 -10.252 6.462 1.00 0.00 C ATOM 1199 NE ARG A 78 3.149 -10.606 7.034 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.990 -11.515 7.989 1.00 0.00 C ATOM 1201 NH1 ARG A 78 4.041 -12.160 8.477 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.778 -11.782 8.458 1.00 0.00 N ATOM 0 H ARG A 78 5.806 -8.578 2.870 1.00 0.00 H new ATOM 0 HA ARG A 78 5.585 -11.129 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.645 -8.909 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.105 -10.391 4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.270 -8.616 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.569 -8.436 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.896 -11.136 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.114 -9.923 7.257 1.00 0.00 H new ATOM 0 HE ARG A 78 2.320 -10.129 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.975 -11.958 8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.916 -12.858 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.967 -11.289 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.657 -12.480 9.192 1.00 0.00 H new ATOM 1216 N TRP A 79 4.805 -10.960 1.020 1.00 0.00 N ATOM 1217 CA TRP A 79 4.334 -11.710 -0.139 1.00 0.00 C ATOM 1218 C TRP A 79 5.325 -12.803 -0.521 1.00 0.00 C ATOM 1219 O TRP A 79 5.003 -13.991 -0.477 1.00 0.00 O ATOM 1220 CB TRP A 79 4.112 -10.769 -1.325 1.00 0.00 C ATOM 1221 CG TRP A 79 3.271 -11.370 -2.410 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.420 -12.432 -2.295 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.202 -10.944 -3.776 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.826 -12.692 -3.507 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.288 -11.793 -4.431 1.00 0.00 C ATOM 1226 CE3 TRP A 79 3.821 -9.928 -4.508 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 1.982 -11.655 -5.782 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.517 -9.792 -5.849 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.604 -10.651 -6.475 1.00 0.00 C ATOM 0 H TRP A 79 5.334 -10.118 0.792 1.00 0.00 H new ATOM 0 HA TRP A 79 3.387 -12.181 0.125 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.636 -9.855 -0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.079 -10.484 -1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.240 -12.986 -1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.150 -13.434 -3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.525 -9.260 -4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.279 -12.316 -6.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.991 -9.011 -6.424 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.387 -10.519 -7.525 1.00 0.00 H new ATOM 1240 N LYS A 80 6.534 -12.396 -0.895 1.00 0.00 N ATOM 1241 CA LYS A 80 7.574 -13.341 -1.283 1.00 0.00 C ATOM 1242 C LYS A 80 7.697 -14.466 -0.260 1.00 0.00 C ATOM 1243 O LYS A 80 8.090 -15.583 -0.595 1.00 0.00 O ATOM 1244 CB LYS A 80 8.917 -12.621 -1.428 1.00 0.00 C ATOM 1245 CG LYS A 80 9.489 -12.129 -0.110 1.00 0.00 C ATOM 1246 CD LYS A 80 10.387 -10.919 -0.309 1.00 0.00 C ATOM 1247 CE LYS A 80 11.303 -10.702 0.885 1.00 0.00 C ATOM 1248 NZ LYS A 80 10.663 -11.130 2.160 1.00 0.00 N ATOM 0 H LYS A 80 6.817 -11.417 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 80 7.295 -13.776 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.633 -13.297 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.794 -11.772 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.675 -11.872 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.056 -12.930 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.987 -11.054 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.774 -10.031 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.229 -11.259 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.572 -9.648 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.040 -10.562 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.634 -10.992 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.867 -12.135 2.331 1.00 0.00 H new ATOM 1262 N ARG A 81 7.356 -14.163 0.989 1.00 0.00 N ATOM 1263 CA ARG A 81 7.428 -15.149 2.061 1.00 0.00 C ATOM 1264 C ARG A 81 6.191 -16.043 2.060 1.00 0.00 C ATOM 1265 O ARG A 81 6.290 -17.256 2.246 1.00 0.00 O ATOM 1266 CB ARG A 81 7.566 -14.452 3.415 1.00 0.00 C ATOM 1267 CG ARG A 81 9.002 -14.114 3.783 1.00 0.00 C ATOM 1268 CD ARG A 81 9.123 -13.713 5.244 1.00 0.00 C ATOM 1269 NE ARG A 81 10.508 -13.450 5.627 1.00 0.00 N ATOM 1270 CZ ARG A 81 11.359 -14.399 6.001 1.00 0.00 C ATOM 1271 NH1 ARG A 81 10.970 -15.665 6.043 1.00 0.00 N ATOM 1272 NH2 ARG A 81 12.604 -14.081 6.334 1.00 0.00 N ATOM 0 H ARG A 81 7.027 -13.243 1.283 1.00 0.00 H new ATOM 0 HA ARG A 81 8.306 -15.772 1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.977 -13.535 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.143 -15.093 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.641 -14.975 3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.359 -13.301 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.521 -12.823 5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.718 -14.506 5.872 1.00 0.00 H new ATOM 0 HE ARG A 81 10.840 -12.486 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.014 -15.914 5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.626 -16.391 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.908 -13.108 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.257 -14.810 6.621 1.00 0.00 H new ATOM 1286 N ALA A 82 5.028 -15.436 1.852 1.00 0.00 N ATOM 1287 CA ALA A 82 3.773 -16.176 1.826 1.00 0.00 C ATOM 1288 C ALA A 82 3.763 -17.200 0.696 1.00 0.00 C ATOM 1289 O ALA A 82 3.010 -18.174 0.733 1.00 0.00 O ATOM 1290 CB ALA A 82 2.598 -15.220 1.684 1.00 0.00 C ATOM 0 H ALA A 82 4.929 -14.432 1.699 1.00 0.00 H new ATOM 0 HA ALA A 82 3.678 -16.713 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.667 -15.787 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.586 -14.530 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.697 -14.657 0.756 1.00 0.00 H new ATOM 1296 N LYS A 83 4.603 -16.975 -0.308 1.00 0.00 N ATOM 1297 CA LYS A 83 4.692 -17.877 -1.450 1.00 0.00 C ATOM 1298 C LYS A 83 5.280 -19.222 -1.035 1.00 0.00 C ATOM 1299 O LYS A 83 4.915 -20.264 -1.579 1.00 0.00 O ATOM 1300 CB LYS A 83 5.548 -17.253 -2.554 1.00 0.00 C ATOM 1301 CG LYS A 83 5.057 -15.889 -3.007 1.00 0.00 C ATOM 1302 CD LYS A 83 4.036 -16.007 -4.126 1.00 0.00 C ATOM 1303 CE LYS A 83 4.094 -14.809 -5.062 1.00 0.00 C ATOM 1304 NZ LYS A 83 5.285 -14.860 -5.955 1.00 0.00 N ATOM 0 H LYS A 83 5.233 -16.174 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 83 3.684 -18.042 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.574 -17.161 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.567 -17.926 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.613 -15.362 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.903 -15.291 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.218 -16.921 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.036 -16.089 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.188 -14.776 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.119 -13.891 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.178 -14.160 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.141 -14.645 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.369 -15.811 -6.368 1.00 0.00 H new ATOM 1318 N ARG A 84 6.192 -19.192 -0.068 1.00 0.00 N ATOM 1319 CA ARG A 84 6.830 -20.408 0.419 1.00 0.00 C ATOM 1320 C ARG A 84 6.067 -20.983 1.609 1.00 0.00 C ATOM 1321 O ARG A 84 5.880 -22.195 1.711 1.00 0.00 O ATOM 1322 CB ARG A 84 8.279 -20.125 0.817 1.00 0.00 C ATOM 1323 CG ARG A 84 8.425 -18.995 1.823 1.00 0.00 C ATOM 1324 CD ARG A 84 9.831 -18.941 2.401 1.00 0.00 C ATOM 1325 NE ARG A 84 9.985 -19.831 3.549 1.00 0.00 N ATOM 1326 CZ ARG A 84 11.161 -20.261 3.992 1.00 0.00 C ATOM 1327 NH1 ARG A 84 12.279 -19.885 3.387 1.00 0.00 N ATOM 1328 NH2 ARG A 84 11.219 -21.069 5.043 1.00 0.00 N ATOM 0 H ARG A 84 6.505 -18.338 0.393 1.00 0.00 H new ATOM 0 HA ARG A 84 6.819 -21.142 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.715 -21.032 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.851 -19.880 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.192 -18.045 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.704 -19.129 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.551 -19.216 1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.061 -17.919 2.701 1.00 0.00 H new ATOM 0 HE ARG A 84 9.144 -20.139 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.238 -19.264 2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.181 -20.217 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.360 -21.360 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.122 -21.399 5.383 1.00 0.00 H new ATOM 1342 N GLU A 85 5.631 -20.104 2.506 1.00 0.00 N ATOM 1343 CA GLU A 85 4.890 -20.525 3.690 1.00 0.00 C ATOM 1344 C GLU A 85 3.592 -21.225 3.298 1.00 0.00 C ATOM 1345 O GLU A 85 3.435 -22.427 3.508 1.00 0.00 O ATOM 1346 CB GLU A 85 4.584 -19.321 4.582 1.00 0.00 C ATOM 1347 CG GLU A 85 5.825 -18.657 5.155 1.00 0.00 C ATOM 1348 CD GLU A 85 6.293 -19.307 6.443 1.00 0.00 C ATOM 1349 OE1 GLU A 85 5.442 -19.554 7.324 1.00 0.00 O ATOM 1350 OE2 GLU A 85 7.507 -19.567 6.571 1.00 0.00 O ATOM 0 H GLU A 85 5.778 -19.097 2.436 1.00 0.00 H new ATOM 0 HA GLU A 85 5.510 -21.230 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.022 -18.586 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.942 -19.641 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.628 -18.699 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.616 -17.603 5.339 1.00 0.00 H new ATOM 1357 N GLU A 86 2.664 -20.462 2.729 1.00 0.00 N ATOM 1358 CA GLU A 86 1.378 -21.008 2.310 1.00 0.00 C ATOM 1359 C GLU A 86 1.553 -22.385 1.675 1.00 0.00 C ATOM 1360 O GLU A 86 0.892 -23.348 2.064 1.00 0.00 O ATOM 1361 CB GLU A 86 0.695 -20.062 1.321 1.00 0.00 C ATOM 1362 CG GLU A 86 -0.823 -20.134 1.359 1.00 0.00 C ATOM 1363 CD GLU A 86 -1.465 -19.570 0.106 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -0.807 -19.584 -0.955 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -2.625 -19.114 0.187 1.00 0.00 O ATOM 0 H GLU A 86 2.778 -19.465 2.548 1.00 0.00 H new ATOM 0 HA GLU A 86 0.750 -21.112 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.007 -19.040 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.036 -20.296 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.131 -21.172 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.187 -19.586 2.228 1.00 0.00 H new ATOM 1372 N ARG A 87 2.448 -22.469 0.696 1.00 0.00 N ATOM 1373 CA ARG A 87 2.709 -23.726 0.006 1.00 0.00 C ATOM 1374 C ARG A 87 3.084 -24.824 0.998 1.00 0.00 C ATOM 1375 O ARG A 87 2.515 -25.916 0.975 1.00 0.00 O ATOM 1376 CB ARG A 87 3.830 -23.547 -1.020 1.00 0.00 C ATOM 1377 CG ARG A 87 3.349 -23.020 -2.362 1.00 0.00 C ATOM 1378 CD ARG A 87 2.598 -24.088 -3.142 1.00 0.00 C ATOM 1379 NE ARG A 87 3.460 -25.210 -3.502 1.00 0.00 N ATOM 1380 CZ ARG A 87 3.026 -26.300 -4.125 1.00 0.00 C ATOM 1381 NH1 ARG A 87 1.747 -26.414 -4.455 1.00 0.00 N ATOM 1382 NH2 ARG A 87 3.871 -27.280 -4.419 1.00 0.00 N ATOM 0 H ARG A 87 3.004 -21.682 0.363 1.00 0.00 H new ATOM 0 HA ARG A 87 1.796 -24.023 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.575 -22.861 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.328 -24.505 -1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.700 -22.159 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.202 -22.674 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.761 -24.451 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.178 -23.648 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 87 4.450 -25.154 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.094 -25.664 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.416 -27.252 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.856 -27.197 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.536 -28.116 -4.897 1.00 0.00 H new ATOM 1396 N LEU A 88 4.043 -24.526 1.866 1.00 0.00 N ATOM 1397 CA LEU A 88 4.495 -25.487 2.867 1.00 0.00 C ATOM 1398 C LEU A 88 3.340 -25.925 3.762 1.00 0.00 C ATOM 1399 O LEU A 88 2.931 -27.086 3.743 1.00 0.00 O ATOM 1400 CB LEU A 88 5.613 -24.881 3.717 1.00 0.00 C ATOM 1401 CG LEU A 88 7.037 -25.094 3.204 1.00 0.00 C ATOM 1402 CD1 LEU A 88 7.205 -24.479 1.823 1.00 0.00 C ATOM 1403 CD2 LEU A 88 8.048 -24.506 4.178 1.00 0.00 C ATOM 0 H LEU A 88 4.523 -23.627 1.898 1.00 0.00 H new ATOM 0 HA LEU A 88 4.879 -26.364 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.436 -23.809 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.544 -25.297 4.722 1.00 0.00 H new ATOM 0 HG LEU A 88 7.218 -26.166 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.225 -24.641 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.506 -24.946 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.005 -23.409 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.056 -24.667 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.868 -23.437 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.945 -24.993 5.148 1.00 0.00 H new ATOM 1415 N LYS A 89 2.815 -24.986 4.543 1.00 0.00 N ATOM 1416 CA LYS A 89 1.705 -25.273 5.443 1.00 0.00 C ATOM 1417 C LYS A 89 0.602 -26.039 4.720 1.00 0.00 C ATOM 1418 O LYS A 89 -0.023 -26.932 5.290 1.00 0.00 O ATOM 1419 CB LYS A 89 1.142 -23.973 6.022 1.00 0.00 C ATOM 1420 CG LYS A 89 0.468 -23.088 4.987 1.00 0.00 C ATOM 1421 CD LYS A 89 -0.273 -21.933 5.639 1.00 0.00 C ATOM 1422 CE LYS A 89 -1.679 -22.336 6.056 1.00 0.00 C ATOM 1423 NZ LYS A 89 -2.598 -22.431 4.888 1.00 0.00 N ATOM 0 H LYS A 89 3.141 -24.020 4.570 1.00 0.00 H new ATOM 0 HA LYS A 89 2.081 -25.894 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.423 -24.215 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.951 -23.415 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.217 -22.698 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.230 -23.683 4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.282 -21.590 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.325 -21.094 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.644 -23.297 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.070 -21.608 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.579 -22.506 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.498 -21.581 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.359 -23.273 4.326 1.00 0.00 H new ATOM 1437 N ALA A 90 0.369 -25.684 3.460 1.00 0.00 N ATOM 1438 CA ALA A 90 -0.656 -26.340 2.658 1.00 0.00 C ATOM 1439 C ALA A 90 -0.296 -27.798 2.394 1.00 0.00 C ATOM 1440 O ALA A 90 0.775 -28.097 1.864 1.00 0.00 O ATOM 1441 CB ALA A 90 -0.855 -25.597 1.346 1.00 0.00 C ATOM 0 H ALA A 90 0.877 -24.945 2.973 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.590 -26.320 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.623 -26.098 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.166 -24.573 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.081 -25.587 0.788 1.00 0.00 H new ATOM 1447 N HIS A 91 -1.196 -28.703 2.767 1.00 0.00 N ATOM 1448 CA HIS A 91 -0.972 -30.130 2.570 1.00 0.00 C ATOM 1449 C HIS A 91 -1.154 -30.511 1.104 1.00 0.00 C ATOM 1450 O HIS A 91 -2.273 -30.523 0.590 1.00 0.00 O ATOM 1451 CB HIS A 91 -1.928 -30.943 3.443 1.00 0.00 C ATOM 1452 CG HIS A 91 -1.518 -32.374 3.608 1.00 0.00 C ATOM 1453 ND1 HIS A 91 -0.581 -32.787 4.531 1.00 0.00 N ATOM 1454 CD2 HIS A 91 -1.925 -33.492 2.962 1.00 0.00 C ATOM 1455 CE1 HIS A 91 -0.428 -34.097 4.445 1.00 0.00 C ATOM 1456 NE2 HIS A 91 -1.233 -34.549 3.500 1.00 0.00 N ATOM 0 H HIS A 91 -2.087 -28.473 3.207 1.00 0.00 H new ATOM 0 HA HIS A 91 0.054 -30.355 2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.994 -30.477 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -2.926 -30.908 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.658 -33.543 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.241 -34.696 5.045 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.325 -35.524 3.216 1.00 0.00 H new ATOM 1465 N SER A 92 -0.048 -30.822 0.436 1.00 0.00 N ATOM 1466 CA SER A 92 -0.085 -31.199 -0.972 1.00 0.00 C ATOM 1467 C SER A 92 0.324 -32.657 -1.155 1.00 0.00 C ATOM 1468 O SER A 92 -0.460 -33.479 -1.627 1.00 0.00 O ATOM 1469 CB SER A 92 0.837 -30.292 -1.789 1.00 0.00 C ATOM 1470 OG SER A 92 2.148 -30.279 -1.251 1.00 0.00 O ATOM 0 H SER A 92 0.885 -30.820 0.847 1.00 0.00 H new ATOM 0 HA SER A 92 -1.108 -31.080 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.868 -30.636 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.436 -29.278 -1.803 1.00 0.00 H new ATOM 0 HG SER A 92 2.718 -29.693 -1.792 1.00 0.00 H new ATOM 1476 N GLY A 93 1.560 -32.971 -0.778 1.00 0.00 N ATOM 1477 CA GLY A 93 2.053 -34.329 -0.908 1.00 0.00 C ATOM 1478 C GLY A 93 3.539 -34.436 -0.624 1.00 0.00 C ATOM 1479 O GLY A 93 4.368 -34.427 -1.534 1.00 0.00 O ATOM 0 H GLY A 93 2.228 -32.308 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.508 -34.978 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.852 -34.690 -1.917 1.00 0.00 H new ATOM 1483 N PRO A 94 3.893 -34.539 0.665 1.00 0.00 N ATOM 1484 CA PRO A 94 5.290 -34.649 1.096 1.00 0.00 C ATOM 1485 C PRO A 94 5.909 -35.990 0.717 1.00 0.00 C ATOM 1486 O PRO A 94 5.827 -36.958 1.472 1.00 0.00 O ATOM 1487 CB PRO A 94 5.204 -34.511 2.618 1.00 0.00 C ATOM 1488 CG PRO A 94 3.825 -34.960 2.962 1.00 0.00 C ATOM 1489 CD PRO A 94 2.957 -34.557 1.802 1.00 0.00 C ATOM 0 HA PRO A 94 5.923 -33.899 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.956 -35.125 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.375 -33.481 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.793 -36.038 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.482 -34.495 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.145 -35.266 1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.500 -33.580 1.962 1.00 0.00 H new ATOM 1497 N SER A 95 6.531 -36.039 -0.457 1.00 0.00 N ATOM 1498 CA SER A 95 7.162 -37.263 -0.937 1.00 0.00 C ATOM 1499 C SER A 95 8.351 -37.641 -0.060 1.00 0.00 C ATOM 1500 O SER A 95 8.746 -36.886 0.828 1.00 0.00 O ATOM 1501 CB SER A 95 7.618 -37.091 -2.388 1.00 0.00 C ATOM 1502 OG SER A 95 7.737 -38.345 -3.037 1.00 0.00 O ATOM 0 H SER A 95 6.611 -35.246 -1.093 1.00 0.00 H new ATOM 0 HA SER A 95 6.426 -38.066 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.904 -36.466 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.577 -36.573 -2.412 1.00 0.00 H new ATOM 0 HG SER A 95 8.028 -38.208 -3.963 1.00 0.00 H new ATOM 1508 N SER A 96 8.917 -38.816 -0.316 1.00 0.00 N ATOM 1509 CA SER A 96 10.059 -39.298 0.452 1.00 0.00 C ATOM 1510 C SER A 96 11.237 -39.612 -0.465 1.00 0.00 C ATOM 1511 O SER A 96 12.370 -39.213 -0.198 1.00 0.00 O ATOM 1512 CB SER A 96 9.673 -40.545 1.251 1.00 0.00 C ATOM 1513 OG SER A 96 10.686 -40.888 2.181 1.00 0.00 O ATOM 0 H SER A 96 8.603 -39.452 -1.049 1.00 0.00 H new ATOM 0 HA SER A 96 10.359 -38.511 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.736 -40.367 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.502 -41.379 0.570 1.00 0.00 H new ATOM 0 HG SER A 96 10.415 -41.687 2.680 1.00 0.00 H new ATOM 1519 N GLY A 97 10.961 -40.332 -1.548 1.00 0.00 N ATOM 1520 CA GLY A 97 12.006 -40.688 -2.489 1.00 0.00 C ATOM 1521 C GLY A 97 11.731 -42.003 -3.192 1.00 0.00 C ATOM 1522 O GLY A 97 11.956 -43.074 -2.629 1.00 0.00 O ATOM 0 H GLY A 97 10.032 -40.675 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.107 -39.897 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.958 -40.753 -1.962 1.00 0.00 H new TER 1526 GLY A 97