USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0948 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 1.09 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.75) USER MOD Single : A 13 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-3.6) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0133 (180deg=-0.191) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.353 F(o=-1.3,f=-0.35) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.92 K(o=-0.92,f=-2.7!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.21 K(o=0.21,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 90:sc= 0.0863 USER MOD Single : A 57 SER OG : rot -62:sc= 0.363 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.673 F(o=-2,f=-0.67) USER MOD Single : A 78 THR OG1 : rot 93:sc= 1.08 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0208 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.511 -19.890 68.972 1.00 0.00 N ATOM 2 CA GLY A 1 -0.884 -18.843 68.039 1.00 0.00 C ATOM 3 C GLY A 1 0.275 -17.927 67.701 1.00 0.00 C ATOM 4 O GLY A 1 1.324 -17.980 68.342 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.508 -20.807 68.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.438 -19.696 69.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.196 -19.918 69.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.264 -19.295 67.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.696 -18.254 68.465 1.00 0.00 H new ATOM 8 N SER A 2 0.086 -17.084 66.691 1.00 0.00 N ATOM 9 CA SER A 2 1.127 -16.155 66.265 1.00 0.00 C ATOM 10 C SER A 2 0.517 -14.914 65.621 1.00 0.00 C ATOM 11 O SER A 2 0.026 -14.964 64.493 1.00 0.00 O ATOM 12 CB SER A 2 2.079 -16.839 65.282 1.00 0.00 C ATOM 13 OG SER A 2 1.609 -18.128 64.930 1.00 0.00 O ATOM 0 H SER A 2 -0.778 -17.025 66.152 1.00 0.00 H new ATOM 0 HA SER A 2 1.688 -15.846 67.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.181 -16.228 64.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.071 -16.919 65.727 1.00 0.00 H new ATOM 0 HG SER A 2 2.234 -18.543 64.300 1.00 0.00 H new ATOM 19 N SER A 3 0.551 -13.801 66.347 1.00 0.00 N ATOM 20 CA SER A 3 -0.001 -12.547 65.849 1.00 0.00 C ATOM 21 C SER A 3 1.093 -11.496 65.691 1.00 0.00 C ATOM 22 O SER A 3 1.949 -11.338 66.561 1.00 0.00 O ATOM 23 CB SER A 3 -1.086 -12.031 66.796 1.00 0.00 C ATOM 24 OG SER A 3 -0.849 -12.460 68.125 1.00 0.00 O ATOM 0 H SER A 3 0.955 -13.742 67.282 1.00 0.00 H new ATOM 0 HA SER A 3 -0.442 -12.737 64.871 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.115 -10.942 66.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.062 -12.386 66.464 1.00 0.00 H new ATOM 0 HG SER A 3 -1.555 -12.116 68.711 1.00 0.00 H new ATOM 30 N GLY A 4 1.059 -10.778 64.572 1.00 0.00 N ATOM 31 CA GLY A 4 2.053 -9.751 64.319 1.00 0.00 C ATOM 32 C GLY A 4 1.932 -9.156 62.930 1.00 0.00 C ATOM 33 O GLY A 4 1.628 -9.863 61.969 1.00 0.00 O ATOM 0 H GLY A 4 0.361 -10.889 63.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.949 -8.959 65.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.049 -10.175 64.443 1.00 0.00 H new ATOM 37 N SER A 5 2.167 -7.852 62.823 1.00 0.00 N ATOM 38 CA SER A 5 2.077 -7.162 61.542 1.00 0.00 C ATOM 39 C SER A 5 2.749 -5.794 61.614 1.00 0.00 C ATOM 40 O SER A 5 2.739 -5.139 62.657 1.00 0.00 O ATOM 41 CB SER A 5 0.614 -7.003 61.126 1.00 0.00 C ATOM 42 OG SER A 5 0.152 -8.151 60.436 1.00 0.00 O ATOM 0 H SER A 5 2.421 -7.252 63.608 1.00 0.00 H new ATOM 0 HA SER A 5 2.596 -7.764 60.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.002 -6.833 62.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.507 -6.125 60.489 1.00 0.00 H new ATOM 0 HG SER A 5 0.624 -8.944 60.767 1.00 0.00 H new ATOM 48 N SER A 6 3.331 -5.368 60.498 1.00 0.00 N ATOM 49 CA SER A 6 4.011 -4.079 60.434 1.00 0.00 C ATOM 50 C SER A 6 3.621 -3.322 59.169 1.00 0.00 C ATOM 51 O SER A 6 3.028 -3.887 58.251 1.00 0.00 O ATOM 52 CB SER A 6 5.528 -4.277 60.477 1.00 0.00 C ATOM 53 OG SER A 6 6.059 -4.432 59.173 1.00 0.00 O ATOM 0 H SER A 6 3.346 -5.896 59.626 1.00 0.00 H new ATOM 0 HA SER A 6 3.704 -3.490 61.298 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.996 -3.422 60.964 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.766 -5.155 61.077 1.00 0.00 H new ATOM 0 HG SER A 6 7.030 -4.555 59.228 1.00 0.00 H new ATOM 59 N GLY A 7 3.960 -2.036 59.128 1.00 0.00 N ATOM 60 CA GLY A 7 3.638 -1.221 57.972 1.00 0.00 C ATOM 61 C GLY A 7 4.621 -0.084 57.772 1.00 0.00 C ATOM 62 O GLY A 7 4.295 1.077 58.020 1.00 0.00 O ATOM 0 H GLY A 7 4.452 -1.545 59.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.627 -1.848 57.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.634 -0.813 58.087 1.00 0.00 H new ATOM 66 N ILE A 8 5.827 -0.418 57.324 1.00 0.00 N ATOM 67 CA ILE A 8 6.859 0.584 57.092 1.00 0.00 C ATOM 68 C ILE A 8 6.572 1.388 55.829 1.00 0.00 C ATOM 69 O ILE A 8 6.347 0.824 54.758 1.00 0.00 O ATOM 70 CB ILE A 8 8.253 -0.061 56.971 1.00 0.00 C ATOM 71 CG1 ILE A 8 8.582 -0.858 58.235 1.00 0.00 C ATOM 72 CG2 ILE A 8 9.309 1.004 56.719 1.00 0.00 C ATOM 73 CD1 ILE A 8 9.792 -1.753 58.086 1.00 0.00 C ATOM 0 H ILE A 8 6.113 -1.375 57.115 1.00 0.00 H new ATOM 0 HA ILE A 8 6.850 1.251 57.954 1.00 0.00 H new ATOM 0 HB ILE A 8 8.248 -0.747 56.124 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.752 -0.164 59.058 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.720 -1.468 58.505 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.288 0.533 56.636 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.080 1.531 55.793 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.316 1.712 57.547 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.966 -2.287 59.020 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.617 -2.471 57.284 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.666 -1.147 57.846 1.00 0.00 H new ATOM 85 N LYS A 9 6.581 2.710 55.961 1.00 0.00 N ATOM 86 CA LYS A 9 6.325 3.594 54.830 1.00 0.00 C ATOM 87 C LYS A 9 7.166 4.863 54.929 1.00 0.00 C ATOM 88 O LYS A 9 7.799 5.119 55.952 1.00 0.00 O ATOM 89 CB LYS A 9 4.839 3.958 54.767 1.00 0.00 C ATOM 90 CG LYS A 9 4.399 4.908 55.868 1.00 0.00 C ATOM 91 CD LYS A 9 2.940 5.304 55.712 1.00 0.00 C ATOM 92 CE LYS A 9 2.398 5.943 56.981 1.00 0.00 C ATOM 93 NZ LYS A 9 1.571 4.991 57.773 1.00 0.00 N ATOM 0 H LYS A 9 6.763 3.193 56.841 1.00 0.00 H new ATOM 0 HA LYS A 9 6.603 3.066 53.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.625 4.412 53.800 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.247 3.045 54.828 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.547 4.435 56.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.023 5.801 55.850 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.838 6.001 54.880 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.347 4.423 55.465 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.228 6.298 57.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.798 6.815 56.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.221 5.465 58.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.764 4.672 57.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.150 4.170 58.044 1.00 0.00 H new ATOM 107 N GLU A 10 7.165 5.653 53.860 1.00 0.00 N ATOM 108 CA GLU A 10 7.929 6.895 53.828 1.00 0.00 C ATOM 109 C GLU A 10 7.569 7.723 52.599 1.00 0.00 C ATOM 110 O GLU A 10 7.682 7.255 51.466 1.00 0.00 O ATOM 111 CB GLU A 10 9.430 6.597 53.835 1.00 0.00 C ATOM 112 CG GLU A 10 10.149 7.127 55.064 1.00 0.00 C ATOM 113 CD GLU A 10 11.137 6.129 55.637 1.00 0.00 C ATOM 114 OE1 GLU A 10 12.215 5.946 55.034 1.00 0.00 O ATOM 115 OE2 GLU A 10 10.831 5.530 56.690 1.00 0.00 O ATOM 0 H GLU A 10 6.644 5.455 53.005 1.00 0.00 H new ATOM 0 HA GLU A 10 7.676 7.470 54.719 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.578 5.519 53.774 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.883 7.032 52.944 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.675 8.046 54.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.415 7.385 55.827 1.00 0.00 H new ATOM 122 N VAL A 11 7.134 8.958 52.831 1.00 0.00 N ATOM 123 CA VAL A 11 6.758 9.853 51.743 1.00 0.00 C ATOM 124 C VAL A 11 7.936 10.107 50.809 1.00 0.00 C ATOM 125 O VAL A 11 9.084 10.176 51.245 1.00 0.00 O ATOM 126 CB VAL A 11 6.242 11.202 52.279 1.00 0.00 C ATOM 127 CG1 VAL A 11 7.304 11.880 53.131 1.00 0.00 C ATOM 128 CG2 VAL A 11 5.813 12.102 51.130 1.00 0.00 C ATOM 0 H VAL A 11 7.033 9.361 53.763 1.00 0.00 H new ATOM 0 HA VAL A 11 5.958 9.361 51.190 1.00 0.00 H new ATOM 0 HB VAL A 11 5.372 11.015 52.908 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.921 12.831 53.501 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.558 11.238 53.975 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.195 12.057 52.529 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.451 13.051 51.526 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.664 12.284 50.473 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.016 11.617 50.566 1.00 0.00 H new ATOM 138 N ASN A 12 7.642 10.247 49.520 1.00 0.00 N ATOM 139 CA ASN A 12 8.677 10.494 48.522 1.00 0.00 C ATOM 140 C ASN A 12 8.159 11.408 47.416 1.00 0.00 C ATOM 141 O ASN A 12 6.978 11.752 47.385 1.00 0.00 O ATOM 142 CB ASN A 12 9.162 9.172 47.923 1.00 0.00 C ATOM 143 CG ASN A 12 8.171 8.588 46.934 1.00 0.00 C ATOM 144 OD1 ASN A 12 8.409 8.589 45.726 1.00 0.00 O ATOM 145 ND2 ASN A 12 7.053 8.086 47.444 1.00 0.00 N ATOM 0 H ASN A 12 6.696 10.194 49.142 1.00 0.00 H new ATOM 0 HA ASN A 12 9.513 10.990 49.016 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.118 9.331 47.424 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.336 8.455 48.725 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.349 7.680 46.828 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.898 8.107 48.452 1.00 0.00 H new ATOM 152 N GLN A 13 9.051 11.795 46.510 1.00 0.00 N ATOM 153 CA GLN A 13 8.683 12.669 45.402 1.00 0.00 C ATOM 154 C GLN A 13 7.755 11.951 44.428 1.00 0.00 C ATOM 155 O GLN A 13 7.866 10.742 44.226 1.00 0.00 O ATOM 156 CB GLN A 13 9.936 13.152 44.669 1.00 0.00 C ATOM 157 CG GLN A 13 9.751 14.485 43.962 1.00 0.00 C ATOM 158 CD GLN A 13 10.878 14.795 42.997 1.00 0.00 C ATOM 159 OE1 GLN A 13 11.715 13.940 42.706 1.00 0.00 O ATOM 160 NE2 GLN A 13 10.906 16.024 42.494 1.00 0.00 N ATOM 0 H GLN A 13 10.033 11.518 46.521 1.00 0.00 H new ATOM 0 HA GLN A 13 8.155 13.530 45.811 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.754 13.240 45.384 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.231 12.400 43.937 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.806 14.476 43.420 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.685 15.280 44.705 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.192 16.701 42.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.641 16.290 41.839 1.00 0.00 H new ATOM 169 N ALA A 14 6.840 12.704 43.826 1.00 0.00 N ATOM 170 CA ALA A 14 5.894 12.141 42.871 1.00 0.00 C ATOM 171 C ALA A 14 6.286 12.489 41.439 1.00 0.00 C ATOM 172 O ALA A 14 7.228 13.249 41.209 1.00 0.00 O ATOM 173 CB ALA A 14 4.486 12.634 43.170 1.00 0.00 C ATOM 0 H ALA A 14 6.734 13.706 43.983 1.00 0.00 H new ATOM 0 HA ALA A 14 5.916 11.056 42.972 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.790 12.206 42.449 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.200 12.329 44.176 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.458 13.721 43.099 1.00 0.00 H new ATOM 179 N LEU A 15 5.559 11.928 40.479 1.00 0.00 N ATOM 180 CA LEU A 15 5.831 12.179 39.068 1.00 0.00 C ATOM 181 C LEU A 15 4.579 12.675 38.352 1.00 0.00 C ATOM 182 O LEU A 15 3.469 12.569 38.874 1.00 0.00 O ATOM 183 CB LEU A 15 6.347 10.906 38.394 1.00 0.00 C ATOM 184 CG LEU A 15 7.545 10.231 39.062 1.00 0.00 C ATOM 185 CD1 LEU A 15 7.604 8.758 38.688 1.00 0.00 C ATOM 186 CD2 LEU A 15 8.838 10.934 38.677 1.00 0.00 C ATOM 0 H LEU A 15 4.777 11.296 40.652 1.00 0.00 H new ATOM 0 HA LEU A 15 6.595 12.953 39.003 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.529 10.187 38.348 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.618 11.147 37.366 1.00 0.00 H new ATOM 0 HG LEU A 15 7.424 10.306 40.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.463 8.294 39.172 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.690 8.262 39.016 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.701 8.661 37.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.679 10.439 39.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.967 10.892 37.595 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.795 11.975 38.997 1.00 0.00 H new ATOM 198 N LYS A 16 4.765 13.216 37.153 1.00 0.00 N ATOM 199 CA LYS A 16 3.651 13.727 36.362 1.00 0.00 C ATOM 200 C LYS A 16 4.125 14.183 34.986 1.00 0.00 C ATOM 201 O LYS A 16 5.320 14.369 34.760 1.00 0.00 O ATOM 202 CB LYS A 16 2.972 14.889 37.090 1.00 0.00 C ATOM 203 CG LYS A 16 3.945 15.937 37.602 1.00 0.00 C ATOM 204 CD LYS A 16 3.570 17.329 37.121 1.00 0.00 C ATOM 205 CE LYS A 16 4.785 18.241 37.052 1.00 0.00 C ATOM 206 NZ LYS A 16 4.872 19.139 38.238 1.00 0.00 N ATOM 0 H LYS A 16 5.677 13.312 36.707 1.00 0.00 H new ATOM 0 HA LYS A 16 2.931 12.919 36.230 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.261 15.365 36.414 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.399 14.496 37.930 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.960 15.919 38.692 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.953 15.694 37.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.107 17.262 36.136 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.828 17.760 37.793 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.690 17.637 36.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.737 18.842 36.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.713 19.745 38.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.020 19.734 38.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.943 18.566 39.103 1.00 0.00 H new ATOM 220 N GLY A 17 3.179 14.361 34.068 1.00 0.00 N ATOM 221 CA GLY A 17 3.520 14.795 32.726 1.00 0.00 C ATOM 222 C GLY A 17 2.356 14.670 31.763 1.00 0.00 C ATOM 223 O GLY A 17 1.242 14.333 32.165 1.00 0.00 O ATOM 0 H GLY A 17 2.183 14.212 34.230 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.852 15.833 32.757 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.358 14.203 32.358 1.00 0.00 H new ATOM 227 N HIS A 18 2.613 14.945 30.488 1.00 0.00 N ATOM 228 CA HIS A 18 1.576 14.863 29.465 1.00 0.00 C ATOM 229 C HIS A 18 2.171 15.051 28.073 1.00 0.00 C ATOM 230 O HIS A 18 2.888 16.019 27.819 1.00 0.00 O ATOM 231 CB HIS A 18 0.496 15.915 29.717 1.00 0.00 C ATOM 232 CG HIS A 18 1.000 17.323 29.633 1.00 0.00 C ATOM 233 ND1 HIS A 18 1.503 18.008 30.719 1.00 0.00 N ATOM 234 CD2 HIS A 18 1.078 18.174 28.584 1.00 0.00 C ATOM 235 CE1 HIS A 18 1.867 19.221 30.341 1.00 0.00 C ATOM 236 NE2 HIS A 18 1.620 19.346 29.049 1.00 0.00 N ATOM 0 H HIS A 18 3.529 15.226 30.139 1.00 0.00 H new ATOM 0 HA HIS A 18 1.126 13.872 29.518 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.306 15.781 28.991 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.064 15.751 30.704 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.771 17.969 27.569 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.294 19.981 30.979 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.802 20.178 28.488 1.00 0.00 H new ATOM 244 N ALA A 19 1.870 14.119 27.175 1.00 0.00 N ATOM 245 CA ALA A 19 2.374 14.184 25.808 1.00 0.00 C ATOM 246 C ALA A 19 1.230 14.186 24.801 1.00 0.00 C ATOM 247 O ALA A 19 0.110 13.784 25.118 1.00 0.00 O ATOM 248 CB ALA A 19 3.316 13.020 25.538 1.00 0.00 C ATOM 0 H ALA A 19 1.280 13.310 27.369 1.00 0.00 H new ATOM 0 HA ALA A 19 2.925 15.117 25.693 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.685 13.080 24.514 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.157 13.064 26.230 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.782 12.080 25.676 1.00 0.00 H new ATOM 254 N TRP A 20 1.518 14.641 23.587 1.00 0.00 N ATOM 255 CA TRP A 20 0.511 14.696 22.533 1.00 0.00 C ATOM 256 C TRP A 20 0.150 13.295 22.051 1.00 0.00 C ATOM 257 O TRP A 20 0.958 12.370 22.142 1.00 0.00 O ATOM 258 CB TRP A 20 1.017 15.538 21.360 1.00 0.00 C ATOM 259 CG TRP A 20 1.515 16.890 21.770 1.00 0.00 C ATOM 260 CD1 TRP A 20 2.790 17.218 22.134 1.00 0.00 C ATOM 261 CD2 TRP A 20 0.748 18.095 21.861 1.00 0.00 C ATOM 262 NE1 TRP A 20 2.861 18.555 22.445 1.00 0.00 N ATOM 263 CE2 TRP A 20 1.622 19.115 22.285 1.00 0.00 C ATOM 264 CE3 TRP A 20 -0.592 18.412 21.623 1.00 0.00 C ATOM 265 CZ2 TRP A 20 1.197 20.427 22.476 1.00 0.00 C ATOM 266 CZ3 TRP A 20 -1.012 19.715 21.814 1.00 0.00 C ATOM 267 CH2 TRP A 20 -0.120 20.709 22.236 1.00 0.00 C ATOM 0 H TRP A 20 2.440 14.977 23.308 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.385 15.160 22.945 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.820 15.000 20.856 1.00 0.00 H new ATOM 0 HB3 TRP A 20 0.212 15.660 20.636 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.620 16.528 22.172 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.701 19.050 22.746 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.287 17.653 21.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.883 21.195 22.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.046 19.971 21.635 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -0.479 21.718 22.375 1.00 0.00 H new ATOM 278 N LEU A 21 -1.066 13.146 21.539 1.00 0.00 N ATOM 279 CA LEU A 21 -1.534 11.856 21.042 1.00 0.00 C ATOM 280 C LEU A 21 -2.414 12.034 19.809 1.00 0.00 C ATOM 281 O LEU A 21 -3.624 11.812 19.859 1.00 0.00 O ATOM 282 CB LEU A 21 -2.310 11.118 22.134 1.00 0.00 C ATOM 283 CG LEU A 21 -1.489 10.634 23.330 1.00 0.00 C ATOM 284 CD1 LEU A 21 -2.336 10.635 24.594 1.00 0.00 C ATOM 285 CD2 LEU A 21 -0.927 9.245 23.064 1.00 0.00 C ATOM 0 H LEU A 21 -1.746 13.902 21.457 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.662 11.265 20.761 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.097 11.777 22.501 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.801 10.256 21.683 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.655 11.320 23.475 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.735 10.288 25.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.690 11.646 24.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.190 9.972 24.460 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.346 8.917 23.926 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.747 8.548 22.892 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.285 9.275 22.183 1.00 0.00 H new ATOM 297 N LYS A 22 -1.798 12.435 18.702 1.00 0.00 N ATOM 298 CA LYS A 22 -2.523 12.639 17.454 1.00 0.00 C ATOM 299 C LYS A 22 -1.688 12.190 16.259 1.00 0.00 C ATOM 300 O LYS A 22 -0.467 12.347 16.249 1.00 0.00 O ATOM 301 CB LYS A 22 -2.904 14.113 17.297 1.00 0.00 C ATOM 302 CG LYS A 22 -1.719 15.060 17.377 1.00 0.00 C ATOM 303 CD LYS A 22 -1.978 16.197 18.351 1.00 0.00 C ATOM 304 CE LYS A 22 -0.922 17.285 18.231 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.515 18.592 17.836 1.00 0.00 N ATOM 0 H LYS A 22 -0.798 12.625 18.644 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.430 12.036 17.488 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.404 14.250 16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.623 14.378 18.072 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.832 14.508 17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.510 15.468 16.388 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.963 16.622 18.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.989 15.810 19.370 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.404 17.394 19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.176 16.987 17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.763 19.307 17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.988 18.494 16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.209 18.889 18.552 1.00 0.00 H new ATOM 319 N ASP A 23 -2.354 11.632 15.254 1.00 0.00 N ATOM 320 CA ASP A 23 -1.672 11.163 14.053 1.00 0.00 C ATOM 321 C ASP A 23 -2.121 11.955 12.829 1.00 0.00 C ATOM 322 O ASP A 23 -3.034 11.545 12.112 1.00 0.00 O ATOM 323 CB ASP A 23 -1.941 9.672 13.838 1.00 0.00 C ATOM 324 CG ASP A 23 -1.498 8.828 15.017 1.00 0.00 C ATOM 325 OD1 ASP A 23 -0.773 9.356 15.886 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.876 7.640 15.071 1.00 0.00 O ATOM 0 H ASP A 23 -3.365 11.493 15.247 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.601 11.316 14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.006 9.519 13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.421 9.338 12.940 1.00 0.00 H new ATOM 331 N ASP A 24 -1.474 13.091 12.596 1.00 0.00 N ATOM 332 CA ASP A 24 -1.806 13.941 11.459 1.00 0.00 C ATOM 333 C ASP A 24 -0.595 14.132 10.551 1.00 0.00 C ATOM 334 O ASP A 24 -0.665 13.889 9.347 1.00 0.00 O ATOM 335 CB ASP A 24 -2.316 15.300 11.942 1.00 0.00 C ATOM 336 CG ASP A 24 -3.731 15.585 11.478 1.00 0.00 C ATOM 337 OD1 ASP A 24 -4.520 14.626 11.358 1.00 0.00 O ATOM 338 OD2 ASP A 24 -4.048 16.769 11.234 1.00 0.00 O ATOM 0 H ASP A 24 -0.716 13.445 13.180 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.593 13.449 10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.280 15.332 13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.652 16.084 11.578 1.00 0.00 H new ATOM 343 N GLU A 25 0.515 14.570 11.138 1.00 0.00 N ATOM 344 CA GLU A 25 1.741 14.795 10.381 1.00 0.00 C ATOM 345 C GLU A 25 2.123 13.552 9.582 1.00 0.00 C ATOM 346 O GLU A 25 2.508 13.645 8.417 1.00 0.00 O ATOM 347 CB GLU A 25 2.884 15.182 11.322 1.00 0.00 C ATOM 348 CG GLU A 25 3.086 16.682 11.450 1.00 0.00 C ATOM 349 CD GLU A 25 4.531 17.056 11.716 1.00 0.00 C ATOM 350 OE1 GLU A 25 5.427 16.432 11.111 1.00 0.00 O ATOM 351 OE2 GLU A 25 4.765 17.973 12.532 1.00 0.00 O ATOM 0 H GLU A 25 0.590 14.776 12.134 1.00 0.00 H new ATOM 0 HA GLU A 25 1.562 15.613 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.687 14.765 12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.808 14.729 10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.751 17.169 10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.462 17.061 12.259 1.00 0.00 H new ATOM 358 N ALA A 26 2.014 12.391 10.218 1.00 0.00 N ATOM 359 CA ALA A 26 2.346 11.129 9.568 1.00 0.00 C ATOM 360 C ALA A 26 3.808 11.105 9.133 1.00 0.00 C ATOM 361 O ALA A 26 4.119 11.275 7.953 1.00 0.00 O ATOM 362 CB ALA A 26 1.434 10.895 8.373 1.00 0.00 C ATOM 0 H ALA A 26 1.698 12.298 11.183 1.00 0.00 H new ATOM 0 HA ALA A 26 2.195 10.326 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.693 9.949 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.397 10.861 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.557 11.707 7.657 1.00 0.00 H new ATOM 368 N THR A 27 4.703 10.891 10.092 1.00 0.00 N ATOM 369 CA THR A 27 6.132 10.846 9.808 1.00 0.00 C ATOM 370 C THR A 27 6.582 9.428 9.478 1.00 0.00 C ATOM 371 O THR A 27 7.575 9.228 8.778 1.00 0.00 O ATOM 372 CB THR A 27 6.958 11.371 10.998 1.00 0.00 C ATOM 373 OG1 THR A 27 6.400 12.600 11.478 1.00 0.00 O ATOM 374 CG2 THR A 27 8.408 11.589 10.595 1.00 0.00 C ATOM 0 H THR A 27 4.463 10.746 11.073 1.00 0.00 H new ATOM 0 HA THR A 27 6.303 11.489 8.945 1.00 0.00 H new ATOM 0 HB THR A 27 6.926 10.625 11.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.930 12.926 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.972 11.960 11.451 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.838 10.646 10.258 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.455 12.318 9.786 1.00 0.00 H new ATOM 382 N HIS A 28 5.845 8.445 9.985 1.00 0.00 N ATOM 383 CA HIS A 28 6.168 7.043 9.742 1.00 0.00 C ATOM 384 C HIS A 28 4.905 6.235 9.460 1.00 0.00 C ATOM 385 O HIS A 28 3.819 6.578 9.929 1.00 0.00 O ATOM 386 CB HIS A 28 6.909 6.453 10.942 1.00 0.00 C ATOM 387 CG HIS A 28 8.137 7.220 11.324 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.094 8.434 11.977 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.449 6.938 11.144 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.326 8.866 12.179 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.167 7.976 11.684 1.00 0.00 N ATOM 0 H HIS A 28 5.020 8.593 10.567 1.00 0.00 H new ATOM 0 HA HIS A 28 6.814 6.991 8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.232 6.419 11.796 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.189 5.424 10.716 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.855 6.060 10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.599 9.790 12.666 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.184 8.048 11.700 1.00 0.00 H new ATOM 399 N CYS A 29 5.055 5.161 8.692 1.00 0.00 N ATOM 400 CA CYS A 29 3.927 4.305 8.347 1.00 0.00 C ATOM 401 C CYS A 29 3.186 3.849 9.600 1.00 0.00 C ATOM 402 O CYS A 29 3.735 3.874 10.702 1.00 0.00 O ATOM 403 CB CYS A 29 4.408 3.087 7.555 1.00 0.00 C ATOM 404 SG CYS A 29 3.111 2.293 6.552 1.00 0.00 S ATOM 0 H CYS A 29 5.947 4.863 8.297 1.00 0.00 H new ATOM 0 HA CYS A 29 3.240 4.884 7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.224 3.392 6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.815 2.353 8.250 1.00 0.00 H new ATOM 409 N ARG A 30 1.936 3.433 9.424 1.00 0.00 N ATOM 410 CA ARG A 30 1.119 2.973 10.541 1.00 0.00 C ATOM 411 C ARG A 30 0.950 1.457 10.502 1.00 0.00 C ATOM 412 O ARG A 30 -0.034 0.920 11.011 1.00 0.00 O ATOM 413 CB ARG A 30 -0.252 3.651 10.511 1.00 0.00 C ATOM 414 CG ARG A 30 -0.765 4.047 11.886 1.00 0.00 C ATOM 415 CD ARG A 30 -1.518 2.906 12.550 1.00 0.00 C ATOM 416 NE ARG A 30 -2.519 3.389 13.497 1.00 0.00 N ATOM 417 CZ ARG A 30 -3.215 2.592 14.301 1.00 0.00 C ATOM 418 NH1 ARG A 30 -3.020 1.281 14.272 1.00 0.00 N ATOM 419 NH2 ARG A 30 -4.109 3.106 15.136 1.00 0.00 N ATOM 0 H ARG A 30 1.467 3.405 8.519 1.00 0.00 H new ATOM 0 HA ARG A 30 1.629 3.241 11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.195 4.541 9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.971 2.978 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.073 4.346 12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.421 4.913 11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.005 2.300 11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.811 2.258 13.069 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.694 4.393 13.544 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.334 0.881 13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.556 0.672 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.263 4.114 15.161 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.643 2.493 15.753 1.00 0.00 H new ATOM 433 N GLN A 31 1.915 0.774 9.894 1.00 0.00 N ATOM 434 CA GLN A 31 1.871 -0.679 9.787 1.00 0.00 C ATOM 435 C GLN A 31 3.276 -1.271 9.833 1.00 0.00 C ATOM 436 O GLN A 31 3.583 -2.101 10.689 1.00 0.00 O ATOM 437 CB GLN A 31 1.171 -1.096 8.492 1.00 0.00 C ATOM 438 CG GLN A 31 1.224 -2.592 8.227 1.00 0.00 C ATOM 439 CD GLN A 31 0.500 -2.985 6.954 1.00 0.00 C ATOM 440 OE1 GLN A 31 -0.623 -2.546 6.704 1.00 0.00 O ATOM 441 NE2 GLN A 31 1.141 -3.815 6.140 1.00 0.00 N ATOM 0 H GLN A 31 2.736 1.204 9.468 1.00 0.00 H new ATOM 0 HA GLN A 31 1.306 -1.063 10.636 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.129 -0.779 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.630 -0.571 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.265 -2.909 8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.782 -3.122 9.070 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.071 -4.154 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.704 -4.113 5.268 1.00 0.00 H new ATOM 450 N CYS A 32 4.125 -0.839 8.907 1.00 0.00 N ATOM 451 CA CYS A 32 5.497 -1.326 8.841 1.00 0.00 C ATOM 452 C CYS A 32 6.415 -0.489 9.726 1.00 0.00 C ATOM 453 O CYS A 32 7.480 -0.945 10.140 1.00 0.00 O ATOM 454 CB CYS A 32 6.001 -1.300 7.396 1.00 0.00 C ATOM 455 SG CYS A 32 6.286 0.375 6.739 1.00 0.00 S ATOM 0 H CYS A 32 3.887 -0.152 8.192 1.00 0.00 H new ATOM 0 HA CYS A 32 5.509 -2.353 9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.931 -1.865 7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.277 -1.810 6.761 1.00 0.00 H new ATOM 460 N GLU A 33 5.994 0.739 10.012 1.00 0.00 N ATOM 461 CA GLU A 33 6.778 1.641 10.847 1.00 0.00 C ATOM 462 C GLU A 33 8.155 1.888 10.237 1.00 0.00 C ATOM 463 O GLU A 33 9.180 1.542 10.825 1.00 0.00 O ATOM 464 CB GLU A 33 6.930 1.063 12.256 1.00 0.00 C ATOM 465 CG GLU A 33 5.773 1.404 13.181 1.00 0.00 C ATOM 466 CD GLU A 33 5.069 0.171 13.713 1.00 0.00 C ATOM 467 OE1 GLU A 33 4.377 -0.504 12.921 1.00 0.00 O ATOM 468 OE2 GLU A 33 5.208 -0.119 14.919 1.00 0.00 O ATOM 0 H GLU A 33 5.114 1.132 9.678 1.00 0.00 H new ATOM 0 HA GLU A 33 6.249 2.592 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.022 -0.021 12.187 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.856 1.434 12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.144 1.996 14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.055 2.025 12.645 1.00 0.00 H new ATOM 475 N LYS A 34 8.170 2.490 9.052 1.00 0.00 N ATOM 476 CA LYS A 34 9.419 2.786 8.360 1.00 0.00 C ATOM 477 C LYS A 34 9.494 4.261 7.980 1.00 0.00 C ATOM 478 O LYS A 34 8.579 4.798 7.358 1.00 0.00 O ATOM 479 CB LYS A 34 9.549 1.918 7.106 1.00 0.00 C ATOM 480 CG LYS A 34 9.873 0.464 7.403 1.00 0.00 C ATOM 481 CD LYS A 34 11.198 0.051 6.785 1.00 0.00 C ATOM 482 CE LYS A 34 11.375 -1.460 6.805 1.00 0.00 C ATOM 483 NZ LYS A 34 10.614 -2.122 5.709 1.00 0.00 N ATOM 0 H LYS A 34 7.331 2.782 8.551 1.00 0.00 H new ATOM 0 HA LYS A 34 10.243 2.561 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.617 1.966 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.329 2.332 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.910 0.312 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.077 -0.173 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.249 0.411 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.017 0.522 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.433 -1.703 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.043 -1.852 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.760 -3.151 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.601 -1.911 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.949 -1.767 4.790 1.00 0.00 H new ATOM 497 N GLU A 35 10.592 4.910 8.358 1.00 0.00 N ATOM 498 CA GLU A 35 10.785 6.323 8.056 1.00 0.00 C ATOM 499 C GLU A 35 10.577 6.595 6.569 1.00 0.00 C ATOM 500 O GLU A 35 11.260 6.022 5.720 1.00 0.00 O ATOM 501 CB GLU A 35 12.187 6.770 8.476 1.00 0.00 C ATOM 502 CG GLU A 35 12.507 8.206 8.097 1.00 0.00 C ATOM 503 CD GLU A 35 13.768 8.719 8.765 1.00 0.00 C ATOM 504 OE1 GLU A 35 13.738 8.946 9.992 1.00 0.00 O ATOM 505 OE2 GLU A 35 14.785 8.892 8.060 1.00 0.00 O ATOM 0 H GLU A 35 11.360 4.480 8.873 1.00 0.00 H new ATOM 0 HA GLU A 35 10.046 6.893 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.287 6.657 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.923 6.109 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.619 8.276 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.669 8.846 8.372 1.00 0.00 H new ATOM 512 N PHE A 36 9.628 7.473 6.261 1.00 0.00 N ATOM 513 CA PHE A 36 9.328 7.820 4.877 1.00 0.00 C ATOM 514 C PHE A 36 10.500 8.556 4.234 1.00 0.00 C ATOM 515 O PHE A 36 10.956 9.581 4.741 1.00 0.00 O ATOM 516 CB PHE A 36 8.068 8.686 4.808 1.00 0.00 C ATOM 517 CG PHE A 36 6.797 7.911 5.008 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.375 6.990 4.063 1.00 0.00 C ATOM 519 CD2 PHE A 36 6.023 8.105 6.141 1.00 0.00 C ATOM 520 CE1 PHE A 36 5.206 6.275 4.245 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.853 7.393 6.328 1.00 0.00 C ATOM 522 CZ PHE A 36 4.444 6.478 5.378 1.00 0.00 C ATOM 0 H PHE A 36 9.054 7.957 6.951 1.00 0.00 H new ATOM 0 HA PHE A 36 9.156 6.895 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.131 9.467 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.032 9.184 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.966 6.829 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.337 8.821 6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.889 5.558 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.259 7.552 7.216 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.529 5.922 5.521 1.00 0.00 H new ATOM 532 N SER A 37 10.982 8.025 3.115 1.00 0.00 N ATOM 533 CA SER A 37 12.104 8.628 2.405 1.00 0.00 C ATOM 534 C SER A 37 11.680 9.092 1.015 1.00 0.00 C ATOM 535 O SER A 37 10.601 8.743 0.534 1.00 0.00 O ATOM 536 CB SER A 37 13.259 7.631 2.292 1.00 0.00 C ATOM 537 OG SER A 37 13.908 7.459 3.540 1.00 0.00 O ATOM 0 H SER A 37 10.613 7.179 2.681 1.00 0.00 H new ATOM 0 HA SER A 37 12.438 9.496 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.882 6.671 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.976 7.983 1.551 1.00 0.00 H new ATOM 0 HG SER A 37 14.641 6.816 3.442 1.00 0.00 H new ATOM 543 N ILE A 38 12.537 9.880 0.374 1.00 0.00 N ATOM 544 CA ILE A 38 12.252 10.391 -0.961 1.00 0.00 C ATOM 545 C ILE A 38 11.894 9.259 -1.918 1.00 0.00 C ATOM 546 O ILE A 38 11.050 9.422 -2.799 1.00 0.00 O ATOM 547 CB ILE A 38 13.451 11.171 -1.532 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.826 12.327 -0.602 1.00 0.00 C ATOM 549 CG2 ILE A 38 13.130 11.689 -2.926 1.00 0.00 C ATOM 550 CD1 ILE A 38 12.704 13.319 -0.389 1.00 0.00 C ATOM 0 H ILE A 38 13.434 10.178 0.758 1.00 0.00 H new ATOM 0 HA ILE A 38 11.401 11.066 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 38 14.304 10.496 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.130 11.922 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.689 12.850 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.987 12.238 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.907 10.849 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.266 12.352 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.041 14.111 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.414 13.752 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.847 12.810 0.053 1.00 0.00 H new ATOM 562 N SER A 39 12.540 8.112 -1.737 1.00 0.00 N ATOM 563 CA SER A 39 12.291 6.953 -2.586 1.00 0.00 C ATOM 564 C SER A 39 10.947 6.313 -2.251 1.00 0.00 C ATOM 565 O SER A 39 10.309 5.698 -3.106 1.00 0.00 O ATOM 566 CB SER A 39 13.412 5.925 -2.424 1.00 0.00 C ATOM 567 OG SER A 39 13.047 4.678 -2.989 1.00 0.00 O ATOM 0 H SER A 39 13.240 7.960 -1.010 1.00 0.00 H new ATOM 0 HA SER A 39 12.265 7.292 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.319 6.293 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.641 5.795 -1.366 1.00 0.00 H new ATOM 0 HG SER A 39 13.781 4.039 -2.874 1.00 0.00 H new ATOM 573 N ARG A 40 10.523 6.462 -1.000 1.00 0.00 N ATOM 574 CA ARG A 40 9.256 5.898 -0.551 1.00 0.00 C ATOM 575 C ARG A 40 8.359 6.980 0.042 1.00 0.00 C ATOM 576 O ARG A 40 8.480 7.326 1.218 1.00 0.00 O ATOM 577 CB ARG A 40 9.502 4.800 0.486 1.00 0.00 C ATOM 578 CG ARG A 40 8.880 3.463 0.116 1.00 0.00 C ATOM 579 CD ARG A 40 9.684 2.754 -0.962 1.00 0.00 C ATOM 580 NE ARG A 40 8.867 1.812 -1.723 1.00 0.00 N ATOM 581 CZ ARG A 40 9.247 1.277 -2.879 1.00 0.00 C ATOM 582 NH1 ARG A 40 10.424 1.589 -3.403 1.00 0.00 N ATOM 583 NH2 ARG A 40 8.448 0.428 -3.512 1.00 0.00 N ATOM 0 H ARG A 40 11.038 6.968 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 40 8.752 5.466 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.576 4.668 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.103 5.124 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.820 2.831 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.859 3.620 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.112 3.493 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.517 2.222 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 40 7.956 1.551 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.041 2.241 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.713 1.177 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.542 0.186 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.740 0.018 -4.399 1.00 0.00 H new ATOM 597 N ARG A 41 7.460 7.512 -0.779 1.00 0.00 N ATOM 598 CA ARG A 41 6.544 8.557 -0.337 1.00 0.00 C ATOM 599 C ARG A 41 5.307 7.952 0.321 1.00 0.00 C ATOM 600 O ARG A 41 5.031 6.761 0.173 1.00 0.00 O ATOM 601 CB ARG A 41 6.128 9.434 -1.519 1.00 0.00 C ATOM 602 CG ARG A 41 7.212 10.400 -1.971 1.00 0.00 C ATOM 603 CD ARG A 41 6.677 11.818 -2.094 1.00 0.00 C ATOM 604 NE ARG A 41 5.685 11.939 -3.159 1.00 0.00 N ATOM 605 CZ ARG A 41 5.986 11.906 -4.452 1.00 0.00 C ATOM 606 NH1 ARG A 41 7.245 11.757 -4.839 1.00 0.00 N ATOM 607 NH2 ARG A 41 5.027 12.022 -5.361 1.00 0.00 N ATOM 0 H ARG A 41 7.346 7.237 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 41 7.062 9.172 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.852 8.793 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.239 10.001 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.037 10.382 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.612 10.076 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.230 12.120 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.503 12.501 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 41 4.707 12.055 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.985 11.667 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.474 11.732 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.057 12.137 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.260 11.997 -6.354 1.00 0.00 H new ATOM 621 N LYS A 42 4.566 8.781 1.049 1.00 0.00 N ATOM 622 CA LYS A 42 3.358 8.330 1.730 1.00 0.00 C ATOM 623 C LYS A 42 2.181 8.263 0.762 1.00 0.00 C ATOM 624 O LYS A 42 2.205 8.878 -0.304 1.00 0.00 O ATOM 625 CB LYS A 42 3.024 9.266 2.893 1.00 0.00 C ATOM 626 CG LYS A 42 2.916 10.726 2.487 1.00 0.00 C ATOM 627 CD LYS A 42 2.343 11.576 3.609 1.00 0.00 C ATOM 628 CE LYS A 42 3.360 11.790 4.720 1.00 0.00 C ATOM 629 NZ LYS A 42 4.473 12.680 4.289 1.00 0.00 N ATOM 0 H LYS A 42 4.781 9.769 1.182 1.00 0.00 H new ATOM 0 HA LYS A 42 3.542 7.329 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.082 8.952 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.792 9.167 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.901 11.102 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.283 10.813 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.028 12.541 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.454 11.093 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.864 12.224 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.765 10.827 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.010 12.992 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.104 12.161 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.084 13.510 3.797 1.00 0.00 H new ATOM 643 N HIS A 43 1.150 7.515 1.142 1.00 0.00 N ATOM 644 CA HIS A 43 -0.038 7.370 0.308 1.00 0.00 C ATOM 645 C HIS A 43 -1.306 7.431 1.154 1.00 0.00 C ATOM 646 O HIS A 43 -1.245 7.436 2.384 1.00 0.00 O ATOM 647 CB HIS A 43 0.012 6.051 -0.463 1.00 0.00 C ATOM 648 CG HIS A 43 1.281 5.855 -1.234 1.00 0.00 C ATOM 649 ND1 HIS A 43 2.532 5.553 -0.816 1.00 0.00 N flip ATOM 650 CD2 HIS A 43 1.353 5.969 -2.606 1.00 0.00 C flip ATOM 651 CE1 HIS A 43 3.330 5.489 -1.933 1.00 0.00 C flip ATOM 652 NE2 HIS A 43 2.594 5.743 -3.000 1.00 0.00 N flip ATOM 0 H HIS A 43 1.113 7.000 2.022 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.056 8.196 -0.402 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.109 5.225 0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.832 6.010 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.525 6.206 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.387 5.267 -1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.927 5.762 -3.964 1.00 0.00 H new ATOM 660 N HIS A 44 -2.455 7.478 0.487 1.00 0.00 N ATOM 661 CA HIS A 44 -3.738 7.539 1.178 1.00 0.00 C ATOM 662 C HIS A 44 -4.658 6.413 0.716 1.00 0.00 C ATOM 663 O HIS A 44 -4.755 6.127 -0.477 1.00 0.00 O ATOM 664 CB HIS A 44 -4.408 8.892 0.937 1.00 0.00 C ATOM 665 CG HIS A 44 -4.738 9.630 2.197 1.00 0.00 C ATOM 666 ND1 HIS A 44 -5.850 9.352 2.963 1.00 0.00 N ATOM 667 CD2 HIS A 44 -4.094 10.642 2.826 1.00 0.00 C ATOM 668 CE1 HIS A 44 -5.877 10.161 4.007 1.00 0.00 C ATOM 669 NE2 HIS A 44 -4.822 10.953 3.948 1.00 0.00 N ATOM 0 H HIS A 44 -2.524 7.475 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.553 7.419 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.750 9.510 0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.323 8.738 0.366 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.178 11.116 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.633 10.173 4.778 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.586 11.678 4.626 1.00 0.00 H new ATOM 677 N CYS A 45 -5.331 5.777 1.669 1.00 0.00 N ATOM 678 CA CYS A 45 -6.243 4.681 1.361 1.00 0.00 C ATOM 679 C CYS A 45 -7.585 5.213 0.866 1.00 0.00 C ATOM 680 O CYS A 45 -7.999 6.314 1.227 1.00 0.00 O ATOM 681 CB CYS A 45 -6.454 3.803 2.596 1.00 0.00 C ATOM 682 SG CYS A 45 -7.266 2.210 2.245 1.00 0.00 S ATOM 0 H CYS A 45 -5.262 6.002 2.662 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.796 4.081 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.487 3.611 3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.054 4.353 3.321 1.00 0.00 H new ATOM 687 N ARG A 46 -8.258 4.423 0.036 1.00 0.00 N ATOM 688 CA ARG A 46 -9.552 4.814 -0.510 1.00 0.00 C ATOM 689 C ARG A 46 -10.690 4.157 0.266 1.00 0.00 C ATOM 690 O ARG A 46 -11.816 4.065 -0.222 1.00 0.00 O ATOM 691 CB ARG A 46 -9.642 4.432 -1.988 1.00 0.00 C ATOM 692 CG ARG A 46 -9.113 5.504 -2.927 1.00 0.00 C ATOM 693 CD ARG A 46 -7.651 5.270 -3.272 1.00 0.00 C ATOM 694 NE ARG A 46 -7.046 6.437 -3.910 1.00 0.00 N ATOM 695 CZ ARG A 46 -7.323 6.823 -5.150 1.00 0.00 C ATOM 696 NH1 ARG A 46 -8.193 6.140 -5.882 1.00 0.00 N ATOM 697 NH2 ARG A 46 -6.732 7.895 -5.660 1.00 0.00 N ATOM 0 H ARG A 46 -7.929 3.508 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.647 5.896 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.084 3.510 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.682 4.223 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.707 5.514 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.226 6.484 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.099 5.026 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.568 4.410 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.374 6.985 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.651 5.316 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.404 6.439 -6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.064 8.424 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.946 8.190 -6.613 1.00 0.00 H new ATOM 711 N ASN A 47 -10.388 3.702 1.478 1.00 0.00 N ATOM 712 CA ASN A 47 -11.386 3.053 2.321 1.00 0.00 C ATOM 713 C ASN A 47 -11.321 3.586 3.749 1.00 0.00 C ATOM 714 O ASN A 47 -12.186 4.352 4.177 1.00 0.00 O ATOM 715 CB ASN A 47 -11.176 1.538 2.321 1.00 0.00 C ATOM 716 CG ASN A 47 -12.174 0.815 3.205 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.103 1.423 3.736 1.00 0.00 O ATOM 718 ND2 ASN A 47 -11.985 -0.489 3.367 1.00 0.00 N ATOM 0 H ASN A 47 -9.461 3.771 1.898 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.371 3.277 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.260 1.163 1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.165 1.314 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.624 -1.028 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.201 -0.952 2.907 1.00 0.00 H new ATOM 725 N CYS A 48 -10.291 3.178 4.481 1.00 0.00 N ATOM 726 CA CYS A 48 -10.112 3.613 5.861 1.00 0.00 C ATOM 727 C CYS A 48 -9.650 5.067 5.917 1.00 0.00 C ATOM 728 O CYS A 48 -9.925 5.780 6.881 1.00 0.00 O ATOM 729 CB CYS A 48 -9.097 2.717 6.574 1.00 0.00 C ATOM 730 SG CYS A 48 -7.434 2.739 5.831 1.00 0.00 S ATOM 0 H CYS A 48 -9.566 2.546 4.141 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.074 3.535 6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.022 3.029 7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.470 1.693 6.574 1.00 0.00 H new ATOM 735 N GLY A 49 -8.945 5.499 4.875 1.00 0.00 N ATOM 736 CA GLY A 49 -8.457 6.864 4.825 1.00 0.00 C ATOM 737 C GLY A 49 -7.311 7.106 5.788 1.00 0.00 C ATOM 738 O GLY A 49 -7.356 8.032 6.598 1.00 0.00 O ATOM 0 H GLY A 49 -8.704 4.928 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.130 7.093 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.274 7.547 5.058 1.00 0.00 H new ATOM 742 N HIS A 50 -6.281 6.270 5.701 1.00 0.00 N ATOM 743 CA HIS A 50 -5.118 6.397 6.572 1.00 0.00 C ATOM 744 C HIS A 50 -3.843 6.575 5.753 1.00 0.00 C ATOM 745 O HIS A 50 -3.880 6.580 4.522 1.00 0.00 O ATOM 746 CB HIS A 50 -4.992 5.167 7.472 1.00 0.00 C ATOM 747 CG HIS A 50 -5.772 5.275 8.746 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.178 5.343 9.988 1.00 0.00 N ATOM 749 CD2 HIS A 50 -7.107 5.329 8.965 1.00 0.00 C ATOM 750 CE1 HIS A 50 -6.114 5.431 10.917 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.293 5.425 10.322 1.00 0.00 N ATOM 0 H HIS A 50 -6.228 5.498 5.037 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.256 7.281 7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.330 4.288 6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.941 5.008 7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.881 5.302 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.944 5.497 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.195 5.482 10.794 1.00 0.00 H new ATOM 759 N ILE A 51 -2.718 6.723 6.445 1.00 0.00 N ATOM 760 CA ILE A 51 -1.432 6.902 5.781 1.00 0.00 C ATOM 761 C ILE A 51 -0.652 5.592 5.733 1.00 0.00 C ATOM 762 O ILE A 51 -0.472 4.926 6.753 1.00 0.00 O ATOM 763 CB ILE A 51 -0.577 7.970 6.489 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.336 9.297 6.559 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.750 8.150 5.767 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.744 9.832 5.204 1.00 0.00 C ATOM 0 H ILE A 51 -2.671 6.723 7.464 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.644 7.234 4.765 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.372 7.636 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.228 9.164 7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.712 10.037 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.343 8.908 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.293 7.205 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.566 8.466 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.277 10.774 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.855 9.997 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.394 9.111 4.709 1.00 0.00 H new ATOM 778 N PHE A 52 -0.188 5.230 4.542 1.00 0.00 N ATOM 779 CA PHE A 52 0.574 4.000 4.360 1.00 0.00 C ATOM 780 C PHE A 52 1.569 4.142 3.211 1.00 0.00 C ATOM 781 O PHE A 52 1.456 5.048 2.385 1.00 0.00 O ATOM 782 CB PHE A 52 -0.368 2.825 4.091 1.00 0.00 C ATOM 783 CG PHE A 52 -1.238 2.474 5.264 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.695 1.881 6.393 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.598 2.736 5.239 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.492 1.557 7.474 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.400 2.415 6.317 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.847 1.823 7.436 1.00 0.00 C ATOM 0 H PHE A 52 -0.326 5.771 3.688 1.00 0.00 H new ATOM 0 HA PHE A 52 1.130 3.808 5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.002 3.066 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.223 1.952 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.364 1.670 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.037 3.197 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.056 1.096 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.459 2.627 6.285 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.472 1.569 8.279 1.00 0.00 H new ATOM 798 N CYS A 53 2.544 3.240 3.166 1.00 0.00 N ATOM 799 CA CYS A 53 3.560 3.263 2.121 1.00 0.00 C ATOM 800 C CYS A 53 3.213 2.284 1.003 1.00 0.00 C ATOM 801 O CYS A 53 2.389 1.388 1.183 1.00 0.00 O ATOM 802 CB CYS A 53 4.932 2.921 2.706 1.00 0.00 C ATOM 803 SG CYS A 53 5.079 1.205 3.301 1.00 0.00 S ATOM 0 H CYS A 53 2.652 2.484 3.842 1.00 0.00 H new ATOM 0 HA CYS A 53 3.592 4.269 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.693 3.097 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.143 3.600 3.532 1.00 0.00 H new ATOM 808 N ASN A 54 3.848 2.463 -0.151 1.00 0.00 N ATOM 809 CA ASN A 54 3.607 1.596 -1.298 1.00 0.00 C ATOM 810 C ASN A 54 3.859 0.135 -0.939 1.00 0.00 C ATOM 811 O ASN A 54 3.284 -0.773 -1.540 1.00 0.00 O ATOM 812 CB ASN A 54 4.500 2.006 -2.470 1.00 0.00 C ATOM 813 CG ASN A 54 4.551 0.948 -3.556 1.00 0.00 C ATOM 814 OD1 ASN A 54 5.457 0.116 -3.585 1.00 0.00 O ATOM 815 ND2 ASN A 54 3.574 0.977 -4.456 1.00 0.00 N ATOM 0 H ASN A 54 4.533 3.200 -0.316 1.00 0.00 H new ATOM 0 HA ASN A 54 2.563 1.705 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.132 2.940 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.509 2.197 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.555 0.291 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.843 1.686 -4.393 1.00 0.00 H new ATOM 822 N THR A 55 4.723 -0.086 0.048 1.00 0.00 N ATOM 823 CA THR A 55 5.053 -1.436 0.488 1.00 0.00 C ATOM 824 C THR A 55 3.903 -2.053 1.275 1.00 0.00 C ATOM 825 O THR A 55 3.759 -3.275 1.328 1.00 0.00 O ATOM 826 CB THR A 55 6.322 -1.448 1.360 1.00 0.00 C ATOM 827 OG1 THR A 55 7.171 -0.350 1.006 1.00 0.00 O ATOM 828 CG2 THR A 55 7.080 -2.756 1.194 1.00 0.00 C ATOM 0 H THR A 55 5.207 0.653 0.558 1.00 0.00 H new ATOM 0 HA THR A 55 5.233 -2.027 -0.410 1.00 0.00 H new ATOM 0 HB THR A 55 6.020 -1.351 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.938 0.432 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.973 -2.741 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.441 -3.587 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.370 -2.878 0.151 1.00 0.00 H new ATOM 836 N CYS A 56 3.085 -1.202 1.885 1.00 0.00 N ATOM 837 CA CYS A 56 1.947 -1.664 2.670 1.00 0.00 C ATOM 838 C CYS A 56 0.665 -1.631 1.842 1.00 0.00 C ATOM 839 O CYS A 56 -0.260 -2.407 2.079 1.00 0.00 O ATOM 840 CB CYS A 56 1.780 -0.801 3.922 1.00 0.00 C ATOM 841 SG CYS A 56 3.033 -1.106 5.208 1.00 0.00 S ATOM 0 H CYS A 56 3.189 -0.188 1.851 1.00 0.00 H new ATOM 0 HA CYS A 56 2.139 -2.694 2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.819 0.250 3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.791 -0.979 4.344 1.00 0.00 H new ATOM 846 N SER A 57 0.620 -0.727 0.869 1.00 0.00 N ATOM 847 CA SER A 57 -0.549 -0.590 0.007 1.00 0.00 C ATOM 848 C SER A 57 -0.245 -1.085 -1.404 1.00 0.00 C ATOM 849 O SER A 57 -0.424 -0.359 -2.381 1.00 0.00 O ATOM 850 CB SER A 57 -1.005 0.870 -0.041 1.00 0.00 C ATOM 851 OG SER A 57 -0.016 1.695 -0.631 1.00 0.00 O ATOM 0 H SER A 57 1.379 -0.079 0.658 1.00 0.00 H new ATOM 0 HA SER A 57 -1.350 -1.201 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.932 0.946 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.220 1.220 0.969 1.00 0.00 H new ATOM 0 HG SER A 57 0.800 1.666 -0.089 1.00 0.00 H new ATOM 857 N SER A 58 0.217 -2.328 -1.501 1.00 0.00 N ATOM 858 CA SER A 58 0.550 -2.921 -2.791 1.00 0.00 C ATOM 859 C SER A 58 -0.546 -3.879 -3.248 1.00 0.00 C ATOM 860 O SER A 58 -0.270 -4.908 -3.861 1.00 0.00 O ATOM 861 CB SER A 58 1.886 -3.661 -2.706 1.00 0.00 C ATOM 862 OG SER A 58 1.891 -4.583 -1.629 1.00 0.00 O ATOM 0 H SER A 58 0.369 -2.943 -0.702 1.00 0.00 H new ATOM 0 HA SER A 58 0.634 -2.117 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.073 -4.189 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.696 -2.943 -2.578 1.00 0.00 H new ATOM 0 HG SER A 58 2.755 -5.044 -1.597 1.00 0.00 H new ATOM 868 N ASN A 59 -1.792 -3.530 -2.943 1.00 0.00 N ATOM 869 CA ASN A 59 -2.932 -4.358 -3.322 1.00 0.00 C ATOM 870 C ASN A 59 -4.124 -3.494 -3.719 1.00 0.00 C ATOM 871 O ASN A 59 -4.150 -2.293 -3.450 1.00 0.00 O ATOM 872 CB ASN A 59 -3.321 -5.284 -2.168 1.00 0.00 C ATOM 873 CG ASN A 59 -2.140 -6.071 -1.634 1.00 0.00 C ATOM 874 OD1 ASN A 59 -1.652 -6.996 -2.282 1.00 0.00 O ATOM 875 ND2 ASN A 59 -1.674 -5.705 -0.445 1.00 0.00 N ATOM 0 H ASN A 59 -2.038 -2.680 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.641 -4.961 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.754 -4.692 -1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.092 -5.976 -2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.880 -6.197 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.110 -4.932 0.058 1.00 0.00 H new ATOM 882 N GLU A 60 -5.109 -4.113 -4.361 1.00 0.00 N ATOM 883 CA GLU A 60 -6.304 -3.400 -4.796 1.00 0.00 C ATOM 884 C GLU A 60 -7.563 -4.201 -4.477 1.00 0.00 C ATOM 885 O GLU A 60 -7.519 -5.427 -4.358 1.00 0.00 O ATOM 886 CB GLU A 60 -6.236 -3.113 -6.298 1.00 0.00 C ATOM 887 CG GLU A 60 -4.900 -2.549 -6.750 1.00 0.00 C ATOM 888 CD GLU A 60 -4.004 -3.601 -7.374 1.00 0.00 C ATOM 889 OE1 GLU A 60 -3.631 -4.559 -6.664 1.00 0.00 O ATOM 890 OE2 GLU A 60 -3.675 -3.466 -8.571 1.00 0.00 O ATOM 0 H GLU A 60 -5.103 -5.107 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.349 -2.455 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.435 -4.035 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.026 -2.409 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.072 -1.750 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.390 -2.103 -5.896 1.00 0.00 H new ATOM 897 N LEU A 61 -8.684 -3.502 -4.340 1.00 0.00 N ATOM 898 CA LEU A 61 -9.956 -4.147 -4.034 1.00 0.00 C ATOM 899 C LEU A 61 -11.124 -3.343 -4.598 1.00 0.00 C ATOM 900 O LEU A 61 -11.120 -2.113 -4.558 1.00 0.00 O ATOM 901 CB LEU A 61 -10.117 -4.310 -2.522 1.00 0.00 C ATOM 902 CG LEU A 61 -10.957 -5.501 -2.061 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.349 -6.806 -2.552 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.085 -5.509 -0.544 1.00 0.00 C ATOM 0 H LEU A 61 -8.738 -2.488 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.958 -5.132 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.125 -4.397 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.565 -3.399 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.954 -5.404 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.961 -7.642 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.310 -6.802 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.340 -6.910 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.686 -6.364 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.094 -5.581 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.567 -4.588 -0.215 1.00 0.00 H new ATOM 916 N ALA A 62 -12.123 -4.047 -5.120 1.00 0.00 N ATOM 917 CA ALA A 62 -13.299 -3.400 -5.687 1.00 0.00 C ATOM 918 C ALA A 62 -14.299 -3.027 -4.598 1.00 0.00 C ATOM 919 O ALA A 62 -15.012 -3.885 -4.076 1.00 0.00 O ATOM 920 CB ALA A 62 -13.953 -4.305 -6.720 1.00 0.00 C ATOM 0 H ALA A 62 -12.141 -5.066 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.977 -2.481 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.830 -3.809 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.243 -4.517 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.255 -5.239 -6.246 1.00 0.00 H new ATOM 926 N LEU A 63 -14.347 -1.743 -4.260 1.00 0.00 N ATOM 927 CA LEU A 63 -15.260 -1.257 -3.231 1.00 0.00 C ATOM 928 C LEU A 63 -16.582 -0.806 -3.846 1.00 0.00 C ATOM 929 O LEU A 63 -16.671 -0.507 -5.037 1.00 0.00 O ATOM 930 CB LEU A 63 -14.622 -0.100 -2.461 1.00 0.00 C ATOM 931 CG LEU A 63 -13.675 -0.490 -1.326 1.00 0.00 C ATOM 932 CD1 LEU A 63 -12.987 0.741 -0.757 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.429 -1.234 -0.234 1.00 0.00 C ATOM 0 H LEU A 63 -13.765 -1.020 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.462 -2.077 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.073 0.521 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.419 0.517 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.910 -1.154 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.317 0.443 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.413 1.233 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.737 1.431 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.739 -1.504 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.215 -0.594 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.873 -2.138 -0.650 1.00 0.00 H new ATOM 945 N PRO A 64 -17.633 -0.753 -3.015 1.00 0.00 N ATOM 946 CA PRO A 64 -18.969 -0.337 -3.454 1.00 0.00 C ATOM 947 C PRO A 64 -19.032 1.149 -3.787 1.00 0.00 C ATOM 948 O PRO A 64 -19.966 1.608 -4.445 1.00 0.00 O ATOM 949 CB PRO A 64 -19.854 -0.654 -2.246 1.00 0.00 C ATOM 950 CG PRO A 64 -18.930 -0.610 -1.078 1.00 0.00 C ATOM 951 CD PRO A 64 -17.600 -1.096 -1.583 1.00 0.00 C ATOM 0 HA PRO A 64 -19.275 -0.846 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.658 0.074 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.322 -1.634 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.851 0.402 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.294 -1.242 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.772 -0.605 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.479 -2.168 -1.429 1.00 0.00 H new ATOM 959 N SER A 65 -18.034 1.897 -3.328 1.00 0.00 N ATOM 960 CA SER A 65 -17.979 3.333 -3.574 1.00 0.00 C ATOM 961 C SER A 65 -17.530 3.623 -5.003 1.00 0.00 C ATOM 962 O SER A 65 -18.168 4.391 -5.723 1.00 0.00 O ATOM 963 CB SER A 65 -17.027 4.006 -2.583 1.00 0.00 C ATOM 964 OG SER A 65 -17.582 5.209 -2.080 1.00 0.00 O ATOM 0 H SER A 65 -17.252 1.532 -2.784 1.00 0.00 H new ATOM 0 HA SER A 65 -18.982 3.738 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.816 3.326 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.077 4.217 -3.073 1.00 0.00 H new ATOM 0 HG SER A 65 -16.955 5.619 -1.448 1.00 0.00 H new ATOM 970 N TYR A 66 -16.428 3.001 -5.408 1.00 0.00 N ATOM 971 CA TYR A 66 -15.891 3.193 -6.750 1.00 0.00 C ATOM 972 C TYR A 66 -16.282 2.035 -7.663 1.00 0.00 C ATOM 973 O TYR A 66 -16.531 0.915 -7.217 1.00 0.00 O ATOM 974 CB TYR A 66 -14.368 3.324 -6.698 1.00 0.00 C ATOM 975 CG TYR A 66 -13.889 4.491 -5.865 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.769 5.761 -6.416 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.555 4.324 -4.526 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.331 6.830 -5.658 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.118 5.387 -3.761 1.00 0.00 C ATOM 980 CZ TYR A 66 -13.007 6.638 -4.331 1.00 0.00 C ATOM 981 OH TYR A 66 -12.570 7.700 -3.572 1.00 0.00 O ATOM 0 H TYR A 66 -15.889 2.360 -4.826 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.315 4.112 -7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.946 2.403 -6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.986 3.432 -7.713 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -14.022 5.915 -7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.639 3.346 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.243 7.811 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.864 5.240 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.385 7.395 -2.659 1.00 0.00 H new ATOM 991 N PRO A 67 -16.338 2.311 -8.975 1.00 0.00 N ATOM 992 CA PRO A 67 -16.697 1.306 -9.980 1.00 0.00 C ATOM 993 C PRO A 67 -15.616 0.244 -10.150 1.00 0.00 C ATOM 994 O PRO A 67 -15.913 -0.944 -10.281 1.00 0.00 O ATOM 995 CB PRO A 67 -16.846 2.127 -11.264 1.00 0.00 C ATOM 996 CG PRO A 67 -15.987 3.325 -11.049 1.00 0.00 C ATOM 997 CD PRO A 67 -16.054 3.624 -9.577 1.00 0.00 C ATOM 0 HA PRO A 67 -17.596 0.755 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.523 1.559 -12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.885 2.410 -11.435 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.961 3.131 -11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.344 4.171 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.117 4.041 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.836 4.348 -9.349 1.00 0.00 H new ATOM 1005 N LYS A 68 -14.360 0.678 -10.146 1.00 0.00 N ATOM 1006 CA LYS A 68 -13.234 -0.236 -10.297 1.00 0.00 C ATOM 1007 C LYS A 68 -12.404 -0.293 -9.019 1.00 0.00 C ATOM 1008 O LYS A 68 -12.429 0.620 -8.193 1.00 0.00 O ATOM 1009 CB LYS A 68 -12.353 0.198 -11.471 1.00 0.00 C ATOM 1010 CG LYS A 68 -12.136 1.700 -11.546 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.814 2.039 -12.215 1.00 0.00 C ATOM 1012 CE LYS A 68 -10.870 3.395 -12.903 1.00 0.00 C ATOM 1013 NZ LYS A 68 -10.885 3.264 -14.386 1.00 0.00 N ATOM 0 H LYS A 68 -14.096 1.658 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.630 -1.232 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.385 -0.297 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.808 -0.142 -12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.954 2.160 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.155 2.122 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.018 2.040 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.566 1.269 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.761 3.931 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.010 3.992 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.923 4.209 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.023 2.775 -14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.719 2.716 -14.678 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.650 -1.389 -8.850 1.00 0.00 N ATOM 1028 CA PRO A 69 -10.796 -1.589 -7.675 1.00 0.00 C ATOM 1029 C PRO A 69 -9.600 -0.644 -7.660 1.00 0.00 C ATOM 1030 O PRO A 69 -8.807 -0.614 -8.601 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.330 -3.040 -7.819 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.409 -3.320 -9.281 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.571 -2.516 -9.794 1.00 0.00 C ATOM 0 HA PRO A 69 -11.328 -1.388 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.314 -3.168 -7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.966 -3.718 -7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.485 -3.035 -9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.558 -4.384 -9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.403 -2.174 -10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.492 -3.100 -9.801 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.475 0.127 -6.584 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.374 1.073 -6.445 1.00 0.00 C ATOM 1043 C VAL A 70 -7.317 0.548 -5.479 1.00 0.00 C ATOM 1044 O VAL A 70 -7.437 -0.559 -4.954 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.870 2.444 -5.950 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.653 3.155 -7.043 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.717 2.282 -4.696 1.00 0.00 C ATOM 0 H VAL A 70 -10.123 0.115 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.932 1.191 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.004 3.056 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.996 4.122 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.012 3.304 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.514 2.549 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.059 3.261 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.579 1.652 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.120 1.817 -3.911 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.283 1.350 -5.249 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.204 0.966 -4.347 1.00 0.00 C ATOM 1059 C ARG A 71 -5.629 1.131 -2.891 1.00 0.00 C ATOM 1060 O ARG A 71 -6.101 2.194 -2.487 1.00 0.00 O ATOM 1061 CB ARG A 71 -3.956 1.806 -4.623 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.856 1.620 -3.591 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.666 2.523 -3.877 1.00 0.00 C ATOM 1064 NE ARG A 71 -2.045 3.933 -3.916 1.00 0.00 N ATOM 1065 CZ ARG A 71 -2.359 4.639 -2.836 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -2.339 4.070 -1.639 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -2.694 5.918 -2.952 1.00 0.00 N ATOM 0 H ARG A 71 -6.170 2.270 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.973 -0.084 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.566 1.549 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.237 2.859 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.248 1.836 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.532 0.579 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.905 2.373 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.218 2.242 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.070 4.401 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.082 3.087 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.581 4.615 -0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.710 6.360 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.935 6.459 -2.122 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.459 0.072 -2.106 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.824 0.099 -0.695 1.00 0.00 C ATOM 1083 C VAL A 72 -4.681 -0.407 0.178 1.00 0.00 C ATOM 1084 O VAL A 72 -3.613 -0.762 -0.322 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.078 -0.753 -0.423 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.319 -0.067 -0.975 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -6.917 -2.143 -1.019 1.00 0.00 C ATOM 0 H VAL A 72 -5.070 -0.816 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.038 1.138 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.199 -0.857 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.195 -0.683 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.441 0.905 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.211 0.070 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.812 -2.731 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.771 -2.062 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.052 -2.633 -0.571 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.912 -0.437 1.486 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.902 -0.899 2.431 1.00 0.00 C ATOM 1099 C CYS A 73 -4.186 -2.331 2.874 1.00 0.00 C ATOM 1100 O CYS A 73 -5.323 -2.798 2.807 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.854 0.024 3.651 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.299 -0.122 4.750 1.00 0.00 S ATOM 0 H CYS A 73 -5.790 -0.147 1.916 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.935 -0.878 1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.952 -0.194 4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.773 1.056 3.310 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.146 -3.022 3.327 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.283 -4.400 3.783 1.00 0.00 C ATOM 1109 C ASP A 74 -4.314 -4.502 4.902 1.00 0.00 C ATOM 1110 O ASP A 74 -4.984 -5.524 5.051 1.00 0.00 O ATOM 1111 CB ASP A 74 -1.934 -4.938 4.263 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.846 -6.448 4.169 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.291 -7.128 5.117 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -1.331 -6.950 3.148 1.00 0.00 O ATOM 0 H ASP A 74 -2.198 -2.650 3.388 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.626 -5.003 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.136 -4.493 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.771 -4.631 5.296 1.00 0.00 H new ATOM 1119 N SER A 75 -4.434 -3.437 5.688 1.00 0.00 N ATOM 1120 CA SER A 75 -5.379 -3.409 6.798 1.00 0.00 C ATOM 1121 C SER A 75 -6.814 -3.519 6.292 1.00 0.00 C ATOM 1122 O SER A 75 -7.699 -4.001 7.000 1.00 0.00 O ATOM 1123 CB SER A 75 -5.210 -2.122 7.607 1.00 0.00 C ATOM 1124 OG SER A 75 -5.381 -2.364 8.993 1.00 0.00 O ATOM 0 H SER A 75 -3.889 -2.582 5.577 1.00 0.00 H new ATOM 0 HA SER A 75 -5.171 -4.264 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.220 -1.703 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.935 -1.380 7.272 1.00 0.00 H new ATOM 0 HG SER A 75 -5.266 -1.526 9.488 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.038 -3.069 5.062 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.364 -3.115 4.459 1.00 0.00 C ATOM 1132 C CYS A 76 -8.512 -4.343 3.565 1.00 0.00 C ATOM 1133 O CYS A 76 -9.504 -5.069 3.647 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.623 -1.845 3.647 1.00 0.00 C ATOM 1135 SG CYS A 76 -8.959 -0.369 4.661 1.00 0.00 S ATOM 0 H CYS A 76 -6.317 -2.668 4.463 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.099 -3.180 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.758 -1.648 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.470 -2.017 2.984 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.519 -4.569 2.711 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.538 -5.710 1.801 1.00 0.00 C ATOM 1142 C HIS A 77 -7.764 -7.011 2.565 1.00 0.00 C ATOM 1143 O HIS A 77 -8.588 -7.838 2.175 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.228 -5.785 1.017 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.293 -6.692 -0.173 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -6.883 -6.527 -1.380 1.00 0.00 N flip ATOM 1147 CD2 HIS A 77 -5.706 -7.939 -0.203 1.00 0.00 C flip ATOM 1148 CE1 HIS A 77 -6.643 -7.665 -2.110 1.00 0.00 C flip ATOM 1149 NE2 HIS A 77 -5.931 -8.501 -1.377 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.692 -3.978 2.630 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.363 -5.573 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.955 -4.783 0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.435 -6.128 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -5.149 -8.387 0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.982 -7.847 -3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.609 -9.424 -1.668 1.00 0.00 H new ATOM 1157 N THR A 78 -7.025 -7.186 3.657 1.00 0.00 N ATOM 1158 CA THR A 78 -7.143 -8.386 4.475 1.00 0.00 C ATOM 1159 C THR A 78 -8.452 -8.394 5.256 1.00 0.00 C ATOM 1160 O THR A 78 -9.100 -9.432 5.391 1.00 0.00 O ATOM 1161 CB THR A 78 -5.968 -8.510 5.463 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.733 -8.233 4.794 1.00 0.00 O ATOM 1163 CG2 THR A 78 -5.918 -9.902 6.074 1.00 0.00 C ATOM 0 H THR A 78 -6.339 -6.511 3.995 1.00 0.00 H new ATOM 0 HA THR A 78 -7.126 -9.236 3.793 1.00 0.00 H new ATOM 0 HB THR A 78 -6.118 -7.785 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.512 -7.284 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.080 -9.965 6.768 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.847 -10.098 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.791 -10.642 5.284 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.836 -7.230 5.767 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.070 -7.102 6.535 1.00 0.00 C ATOM 1173 C LEU A 79 -11.280 -7.486 5.689 1.00 0.00 C ATOM 1174 O LEU A 79 -11.996 -8.436 6.006 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.228 -5.670 7.050 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.614 -5.294 7.575 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -12.036 -6.238 8.690 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.627 -3.852 8.061 1.00 0.00 C ATOM 0 H LEU A 79 -8.311 -6.361 5.664 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.012 -7.783 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.504 -5.511 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.969 -4.984 6.243 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.329 -5.387 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.025 -5.955 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.067 -7.259 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.319 -6.177 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.621 -3.602 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.900 -3.732 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.369 -3.188 7.236 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.501 -6.742 4.610 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.623 -7.006 3.716 1.00 0.00 C ATOM 1192 C LEU A 80 -12.635 -8.465 3.273 1.00 0.00 C ATOM 1193 O LEU A 80 -13.673 -9.128 3.309 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.552 -6.090 2.493 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.954 -4.632 2.722 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -12.063 -3.700 1.915 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.417 -4.419 2.361 1.00 0.00 C ATOM 0 H LEU A 80 -10.918 -5.952 4.334 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.545 -6.804 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.532 -6.109 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.193 -6.505 1.715 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.824 -4.401 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.364 -2.667 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.025 -3.833 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.161 -3.931 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.685 -3.376 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.573 -4.668 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.042 -5.060 2.983 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.475 -8.961 2.857 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.351 -10.344 2.409 1.00 0.00 C ATOM 1211 C LEU A 81 -11.833 -11.311 3.486 1.00 0.00 C ATOM 1212 O LEU A 81 -12.456 -12.328 3.184 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.898 -10.653 2.043 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.477 -10.304 0.615 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.962 -10.322 0.486 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -10.110 -11.267 -0.378 1.00 0.00 C ATOM 0 H LEU A 81 -10.607 -8.426 2.821 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.977 -10.472 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.248 -10.116 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.722 -11.717 2.203 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.829 -9.297 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.681 -10.071 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.530 -9.592 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.588 -11.316 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.799 -11.003 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.789 -12.284 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.196 -11.204 -0.304 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.542 -10.984 4.741 1.00 0.00 N ATOM 1229 CA GLN A 82 -11.948 -11.823 5.862 1.00 0.00 C ATOM 1230 C GLN A 82 -12.992 -11.117 6.721 1.00 0.00 C ATOM 1231 O GLN A 82 -12.854 -11.038 7.942 1.00 0.00 O ATOM 1232 CB GLN A 82 -10.733 -12.193 6.715 1.00 0.00 C ATOM 1233 CG GLN A 82 -9.566 -12.738 5.908 1.00 0.00 C ATOM 1234 CD GLN A 82 -8.903 -13.929 6.571 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -8.089 -13.773 7.482 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -9.249 -15.128 6.118 1.00 0.00 N ATOM 0 H GLN A 82 -11.027 -10.145 5.007 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.392 -12.734 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.403 -11.311 7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.031 -12.936 7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.918 -13.028 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.828 -11.949 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.928 -15.211 5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.836 -15.966 6.527 1.00 0.00 H new ATOM 1245 N ARG A 83 -14.034 -10.604 6.075 1.00 0.00 N ATOM 1246 CA ARG A 83 -15.100 -9.903 6.780 1.00 0.00 C ATOM 1247 C ARG A 83 -16.054 -10.892 7.444 1.00 0.00 C ATOM 1248 O ARG A 83 -16.828 -11.572 6.769 1.00 0.00 O ATOM 1249 CB ARG A 83 -15.873 -9.003 5.815 1.00 0.00 C ATOM 1250 CG ARG A 83 -16.480 -7.777 6.478 1.00 0.00 C ATOM 1251 CD ARG A 83 -16.818 -6.701 5.458 1.00 0.00 C ATOM 1252 NE ARG A 83 -17.461 -5.545 6.076 1.00 0.00 N ATOM 1253 CZ ARG A 83 -18.195 -4.666 5.403 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -18.378 -4.811 4.097 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -18.748 -3.639 6.035 1.00 0.00 N ATOM 0 H ARG A 83 -14.163 -10.661 5.065 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.645 -9.287 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.204 -8.680 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -16.668 -9.584 5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.382 -8.064 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.782 -7.376 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.907 -6.382 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.476 -7.118 4.696 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.340 -5.405 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.955 -5.599 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.942 -4.134 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.610 -3.524 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -19.311 -2.965 5.517 1.00 0.00 H new ATOM 1269 N CYS A 84 -15.993 -10.966 8.769 1.00 0.00 N ATOM 1270 CA CYS A 84 -16.850 -11.872 9.525 1.00 0.00 C ATOM 1271 C CYS A 84 -18.091 -11.147 10.037 1.00 0.00 C ATOM 1272 O CYS A 84 -19.213 -11.626 9.875 1.00 0.00 O ATOM 1273 CB CYS A 84 -16.079 -12.478 10.698 1.00 0.00 C ATOM 1274 SG CYS A 84 -16.501 -14.201 11.047 1.00 0.00 S ATOM 0 H CYS A 84 -15.359 -10.409 9.342 1.00 0.00 H new ATOM 0 HA CYS A 84 -17.168 -12.672 8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -15.011 -12.412 10.490 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -16.268 -11.881 11.590 1.00 0.00 H new ATOM 0 HG CYS A 84 -15.796 -14.625 12.053 1.00 0.00 H new ATOM 1280 N SER A 85 -17.880 -9.990 10.657 1.00 0.00 N ATOM 1281 CA SER A 85 -18.980 -9.201 11.198 1.00 0.00 C ATOM 1282 C SER A 85 -19.765 -10.002 12.233 1.00 0.00 C ATOM 1283 O SER A 85 -19.407 -11.133 12.560 1.00 0.00 O ATOM 1284 CB SER A 85 -19.913 -8.749 10.073 1.00 0.00 C ATOM 1285 OG SER A 85 -20.496 -7.492 10.368 1.00 0.00 O ATOM 0 H SER A 85 -16.957 -9.579 10.797 1.00 0.00 H new ATOM 0 HA SER A 85 -18.559 -8.322 11.686 1.00 0.00 H new ATOM 0 HB2 SER A 85 -19.356 -8.685 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.697 -9.492 9.926 1.00 0.00 H new ATOM 0 HG SER A 85 -21.086 -7.225 9.633 1.00 0.00 H new ATOM 1291 N SER A 86 -20.836 -9.405 12.745 1.00 0.00 N ATOM 1292 CA SER A 86 -21.670 -10.059 13.746 1.00 0.00 C ATOM 1293 C SER A 86 -23.082 -9.481 13.739 1.00 0.00 C ATOM 1294 O SER A 86 -24.065 -10.212 13.614 1.00 0.00 O ATOM 1295 CB SER A 86 -21.051 -9.905 15.137 1.00 0.00 C ATOM 1296 OG SER A 86 -20.807 -11.169 15.729 1.00 0.00 O ATOM 0 H SER A 86 -21.147 -8.469 12.483 1.00 0.00 H new ATOM 0 HA SER A 86 -21.728 -11.119 13.497 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.117 -9.348 15.063 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.719 -9.325 15.774 1.00 0.00 H new ATOM 0 HG SER A 86 -20.410 -11.044 16.616 1.00 0.00 H new ATOM 1302 N THR A 87 -23.176 -8.162 13.875 1.00 0.00 N ATOM 1303 CA THR A 87 -24.466 -7.484 13.886 1.00 0.00 C ATOM 1304 C THR A 87 -24.323 -6.024 13.471 1.00 0.00 C ATOM 1305 O THR A 87 -23.213 -5.532 13.267 1.00 0.00 O ATOM 1306 CB THR A 87 -25.123 -7.549 15.277 1.00 0.00 C ATOM 1307 OG1 THR A 87 -24.119 -7.494 16.296 1.00 0.00 O ATOM 1308 CG2 THR A 87 -25.940 -8.823 15.431 1.00 0.00 C ATOM 0 H THR A 87 -22.373 -7.542 13.979 1.00 0.00 H new ATOM 0 HA THR A 87 -25.102 -8.002 13.168 1.00 0.00 H new ATOM 0 HB THR A 87 -25.791 -6.694 15.379 1.00 0.00 H new ATOM 0 HG1 THR A 87 -24.545 -7.534 17.178 1.00 0.00 H new ATOM 0 HG21 THR A 87 -26.394 -8.846 16.422 1.00 0.00 H new ATOM 0 HG22 THR A 87 -26.722 -8.848 14.672 1.00 0.00 H new ATOM 0 HG23 THR A 87 -25.290 -9.689 15.310 1.00 0.00 H new ATOM 1316 N ALA A 88 -25.453 -5.335 13.350 1.00 0.00 N ATOM 1317 CA ALA A 88 -25.453 -3.930 12.963 1.00 0.00 C ATOM 1318 C ALA A 88 -25.611 -3.025 14.180 1.00 0.00 C ATOM 1319 O ALA A 88 -26.708 -2.879 14.718 1.00 0.00 O ATOM 1320 CB ALA A 88 -26.560 -3.660 11.955 1.00 0.00 C ATOM 0 H ALA A 88 -26.380 -5.727 13.514 1.00 0.00 H new ATOM 0 HA ALA A 88 -24.492 -3.707 12.499 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -26.548 -2.607 11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -26.402 -4.273 11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -27.524 -3.906 12.399 1.00 0.00 H new ATOM 1326 N SER A 89 -24.508 -2.420 14.609 1.00 0.00 N ATOM 1327 CA SER A 89 -24.524 -1.532 15.766 1.00 0.00 C ATOM 1328 C SER A 89 -24.471 -0.071 15.331 1.00 0.00 C ATOM 1329 O SER A 89 -25.242 0.327 14.459 1.00 0.00 O ATOM 1330 CB SER A 89 -23.345 -1.844 16.690 1.00 0.00 C ATOM 1331 OG SER A 89 -22.261 -2.398 15.965 1.00 0.00 O ATOM 0 H SER A 89 -23.592 -2.528 14.173 1.00 0.00 H new ATOM 0 HA SER A 89 -25.455 -1.698 16.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.022 -0.932 17.193 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.662 -2.541 17.466 1.00 0.00 H new ATOM 0 HG SER A 89 -21.520 -2.587 16.578 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.401 0.720 5.337 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -7.158 1.077 4.204 1.00 0.00 ZN