USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= -2.03 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 86 THR OG1 : rot -100:sc= 0.726 USER MOD Set 2.1: A 52 SER OG : rot -41:sc= -0.798 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 46:sc= 1.46 USER MOD Set 3.2: A 24 ASN : amide:sc= -3.98! C(o=-2.5!,f=-2.4!) USER MOD Set 4.1: A 11 SER OG : rot -96:sc= 2.14 USER MOD Set 4.2: A 21 ASN :FLIP amide:sc= -0.484 F(o=-0.53!,f=1.7) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.839 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0818 F(o=-1.8!,f=-0.082) USER MOD Single : A 13 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.084) USER MOD Single : A 17 ASN : amide:sc= -2.65! C(o=-2.6!,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0546) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-0.89) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -0.0129 (180deg=-0.128) USER MOD Single : A 51 HIS : no HD1:sc= -0.444 X(o=-0.44,f=0.0062) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 78:sc= 1.31 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.271 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.7!) USER MOD Single : A 88 SER OG : rot -24:sc= 0.842 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= -1.01 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.680 -4.105 -4.691 1.00 0.00 N ATOM 37 CA ARG A 3 -16.650 -4.206 -5.736 1.00 0.00 C ATOM 38 C ARG A 3 -15.225 -4.302 -5.152 1.00 0.00 C ATOM 39 O ARG A 3 -15.007 -4.126 -3.953 1.00 0.00 O ATOM 40 CB ARG A 3 -16.800 -3.026 -6.719 1.00 0.00 C ATOM 41 CG ARG A 3 -15.648 -1.997 -6.705 1.00 0.00 C ATOM 42 CD ARG A 3 -15.907 -0.844 -7.697 1.00 0.00 C ATOM 43 NE ARG A 3 -16.255 -1.342 -9.027 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.199 -0.802 -9.800 1.00 0.00 C ATOM 45 NH1 ARG A 3 -17.873 0.268 -9.387 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.467 -1.335 -10.987 1.00 0.00 N ATOM 0 HA ARG A 3 -16.802 -5.137 -6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.894 -3.427 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.731 -2.506 -6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.531 -1.594 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.712 -2.494 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.714 -0.215 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.019 -0.216 -7.765 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.746 -2.150 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.669 0.679 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.594 0.677 -9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.952 -2.155 -11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.188 -0.924 -11.580 1.00 0.00 H new ATOM 60 N THR A 4 -14.262 -4.554 -6.039 1.00 0.00 N ATOM 61 CA THR A 4 -12.979 -5.142 -5.669 1.00 0.00 C ATOM 62 C THR A 4 -11.885 -4.084 -5.578 1.00 0.00 C ATOM 63 O THR A 4 -11.615 -3.392 -6.565 1.00 0.00 O ATOM 64 CB THR A 4 -12.541 -6.197 -6.717 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.336 -5.562 -7.987 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.581 -7.294 -6.874 1.00 0.00 C ATOM 0 H THR A 4 -14.352 -4.355 -7.035 1.00 0.00 H new ATOM 0 HA THR A 4 -13.114 -5.609 -4.693 1.00 0.00 H new ATOM 0 HB THR A 4 -11.614 -6.649 -6.365 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.158 -4.608 -7.851 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.240 -8.015 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.725 -7.798 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.525 -6.857 -7.200 1.00 0.00 H new ATOM 74 N PRO A 5 -11.224 -3.956 -4.418 1.00 0.00 N ATOM 75 CA PRO A 5 -10.149 -2.993 -4.244 1.00 0.00 C ATOM 76 C PRO A 5 -8.889 -3.416 -4.981 1.00 0.00 C ATOM 77 O PRO A 5 -8.404 -4.540 -4.829 1.00 0.00 O ATOM 78 CB PRO A 5 -9.911 -2.939 -2.727 1.00 0.00 C ATOM 79 CG PRO A 5 -10.875 -3.905 -2.099 1.00 0.00 C ATOM 80 CD PRO A 5 -11.460 -4.744 -3.209 1.00 0.00 C ATOM 0 HA PRO A 5 -10.412 -2.019 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.883 -3.209 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.072 -1.930 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.367 -4.535 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.662 -3.371 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.976 -5.719 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.523 -4.925 -3.053 1.00 0.00 H new ATOM 88 N LYS A 6 -8.371 -2.504 -5.782 1.00 0.00 N ATOM 89 CA LYS A 6 -7.213 -2.785 -6.607 1.00 0.00 C ATOM 90 C LYS A 6 -5.966 -2.176 -5.975 1.00 0.00 C ATOM 91 O LYS A 6 -6.054 -1.225 -5.195 1.00 0.00 O ATOM 92 CB LYS A 6 -7.442 -2.241 -8.022 1.00 0.00 C ATOM 93 CG LYS A 6 -6.372 -2.639 -9.029 1.00 0.00 C ATOM 94 CD LYS A 6 -6.774 -2.257 -10.445 1.00 0.00 C ATOM 95 CE LYS A 6 -8.077 -2.932 -10.848 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.459 -2.626 -12.251 1.00 0.00 N ATOM 0 H LYS A 6 -8.737 -1.557 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.065 -3.863 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.410 -2.591 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.494 -1.153 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.430 -2.153 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.201 -3.714 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.885 -1.175 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.984 -2.542 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.977 -4.011 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.874 -2.609 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.352 -3.107 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.580 -1.599 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.712 -2.957 -12.894 1.00 0.00 H new ATOM 110 N ILE A 7 -4.808 -2.724 -6.315 1.00 0.00 N ATOM 111 CA ILE A 7 -3.577 -2.387 -5.618 1.00 0.00 C ATOM 112 C ILE A 7 -2.778 -1.344 -6.373 1.00 0.00 C ATOM 113 O ILE A 7 -2.478 -1.507 -7.555 1.00 0.00 O ATOM 114 CB ILE A 7 -2.677 -3.621 -5.417 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.522 -4.865 -5.134 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.692 -3.374 -4.280 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.478 -4.694 -3.983 1.00 0.00 C ATOM 0 H ILE A 7 -4.696 -3.403 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.880 -1.993 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.115 -3.793 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.087 -5.122 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.859 -5.704 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.061 -4.253 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.068 -2.513 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.241 -3.179 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.044 -5.615 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.918 -4.467 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.165 -3.876 -4.199 1.00 0.00 H new ATOM 129 N GLN A 8 -2.438 -0.275 -5.681 1.00 0.00 N ATOM 130 CA GLN A 8 -1.552 0.734 -6.219 1.00 0.00 C ATOM 131 C GLN A 8 -0.446 1.020 -5.214 1.00 0.00 C ATOM 132 O GLN A 8 -0.714 1.457 -4.096 1.00 0.00 O ATOM 133 CB GLN A 8 -2.332 2.009 -6.521 1.00 0.00 C ATOM 134 CG GLN A 8 -3.267 1.902 -7.713 1.00 0.00 C ATOM 135 CD GLN A 8 -4.146 3.127 -7.858 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.490 3.736 -6.736 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -4.517 3.516 -8.966 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.767 -0.083 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.110 0.371 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.914 2.282 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.625 2.820 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.681 1.767 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.894 1.017 -7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.227 3.015 -9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.114 4.339 -9.044 1.00 0.00 H new ATOM 146 N VAL A 9 0.788 0.757 -5.608 1.00 0.00 N ATOM 147 CA VAL A 9 1.935 0.983 -4.743 1.00 0.00 C ATOM 148 C VAL A 9 3.085 1.588 -5.534 1.00 0.00 C ATOM 149 O VAL A 9 3.452 1.089 -6.599 1.00 0.00 O ATOM 150 CB VAL A 9 2.388 -0.321 -4.024 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.423 -1.496 -4.983 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.749 -0.141 -3.364 1.00 0.00 C ATOM 0 H VAL A 9 1.023 0.384 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 9 1.629 1.688 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 9 1.653 -0.534 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.743 -2.391 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.428 -1.657 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.123 -1.285 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.039 -1.068 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.490 0.114 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.693 0.661 -2.628 1.00 0.00 H new ATOM 162 N TYR A 10 3.632 2.673 -5.009 1.00 0.00 N ATOM 163 CA TYR A 10 4.712 3.393 -5.664 1.00 0.00 C ATOM 164 C TYR A 10 5.482 4.199 -4.627 1.00 0.00 C ATOM 165 O TYR A 10 5.059 4.308 -3.476 1.00 0.00 O ATOM 166 CB TYR A 10 4.154 4.315 -6.766 1.00 0.00 C ATOM 167 CG TYR A 10 3.165 5.356 -6.276 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.796 5.120 -6.317 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.603 6.578 -5.775 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.893 6.068 -5.870 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.708 7.530 -5.327 1.00 0.00 C ATOM 172 CZ TYR A 10 1.355 7.270 -5.378 1.00 0.00 C ATOM 173 OH TYR A 10 0.459 8.211 -4.923 1.00 0.00 O ATOM 0 H TYR A 10 3.341 3.078 -4.119 1.00 0.00 H new ATOM 0 HA TYR A 10 5.388 2.679 -6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.986 4.824 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.669 3.701 -7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.431 4.180 -6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.662 6.786 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.168 5.868 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.066 8.472 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.205 7.778 -4.347 1.00 0.00 H new ATOM 183 N SER A 11 6.616 4.747 -5.025 1.00 0.00 N ATOM 184 CA SER A 11 7.387 5.597 -4.139 1.00 0.00 C ATOM 185 C SER A 11 6.860 7.020 -4.236 1.00 0.00 C ATOM 186 O SER A 11 6.663 7.547 -5.333 1.00 0.00 O ATOM 187 CB SER A 11 8.868 5.552 -4.509 1.00 0.00 C ATOM 188 OG SER A 11 9.636 6.291 -3.584 1.00 0.00 O ATOM 0 H SER A 11 7.021 4.619 -5.952 1.00 0.00 H new ATOM 0 HA SER A 11 7.285 5.239 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.211 4.518 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.010 5.956 -5.512 1.00 0.00 H new ATOM 0 HG SER A 11 9.791 7.193 -3.934 1.00 0.00 H new ATOM 194 N ARG A 12 6.623 7.628 -3.077 1.00 0.00 N ATOM 195 CA ARG A 12 5.996 8.947 -3.011 1.00 0.00 C ATOM 196 C ARG A 12 6.902 10.014 -3.634 1.00 0.00 C ATOM 197 O ARG A 12 6.455 10.840 -4.424 1.00 0.00 O ATOM 198 CB ARG A 12 5.683 9.296 -1.553 1.00 0.00 C ATOM 199 CG ARG A 12 4.335 9.989 -1.359 1.00 0.00 C ATOM 200 CD ARG A 12 3.974 10.889 -2.529 1.00 0.00 C ATOM 201 NE ARG A 12 2.725 10.474 -3.173 1.00 0.00 N ATOM 202 CZ ARG A 12 1.839 11.321 -3.696 1.00 0.00 C ATOM 203 NH1 ARG A 12 2.042 12.630 -3.627 1.00 0.00 N ATOM 204 NH2 ARG A 12 0.749 10.857 -4.299 1.00 0.00 N ATOM 0 H ARG A 12 6.856 7.228 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 12 5.067 8.922 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.700 8.382 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.472 9.942 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.558 9.236 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.362 10.580 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.878 11.917 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.782 10.875 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 12 2.521 9.476 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.880 12.993 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.360 13.274 -4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.590 9.851 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.072 11.507 -4.699 1.00 0.00 H new ATOM 218 N HIS A 13 8.162 9.992 -3.255 1.00 0.00 N ATOM 219 CA HIS A 13 9.168 10.882 -3.828 1.00 0.00 C ATOM 220 C HIS A 13 10.294 10.038 -4.447 1.00 0.00 C ATOM 221 O HIS A 13 10.216 8.816 -4.373 1.00 0.00 O ATOM 222 CB HIS A 13 9.710 11.838 -2.755 1.00 0.00 C ATOM 223 CG HIS A 13 8.894 13.089 -2.583 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.111 13.945 -1.529 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.899 13.593 -3.360 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.256 14.939 -1.685 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.500 14.770 -2.780 1.00 0.00 N ATOM 0 H HIS A 13 8.525 9.360 -2.542 1.00 0.00 H new ATOM 0 HA HIS A 13 8.717 11.492 -4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.754 11.311 -1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.732 12.116 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.499 13.151 -4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.175 15.782 -1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.769 15.396 -3.117 1.00 0.00 H new ATOM 235 N PRO A 14 11.346 10.639 -5.069 1.00 0.00 N ATOM 236 CA PRO A 14 12.435 9.864 -5.688 1.00 0.00 C ATOM 237 C PRO A 14 12.980 8.768 -4.766 1.00 0.00 C ATOM 238 O PRO A 14 13.361 9.031 -3.624 1.00 0.00 O ATOM 239 CB PRO A 14 13.532 10.903 -5.984 1.00 0.00 C ATOM 240 CG PRO A 14 13.068 12.192 -5.350 1.00 0.00 C ATOM 241 CD PRO A 14 11.567 12.086 -5.239 1.00 0.00 C ATOM 0 HA PRO A 14 12.082 9.343 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.490 10.588 -5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.674 11.025 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.523 12.330 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.354 13.051 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.184 12.655 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.069 12.468 -6.130 1.00 0.00 H new ATOM 249 N ALA A 15 13.007 7.542 -5.275 1.00 0.00 N ATOM 250 CA ALA A 15 13.465 6.398 -4.504 1.00 0.00 C ATOM 251 C ALA A 15 14.979 6.284 -4.579 1.00 0.00 C ATOM 252 O ALA A 15 15.530 5.960 -5.634 1.00 0.00 O ATOM 253 CB ALA A 15 12.818 5.125 -5.023 1.00 0.00 C ATOM 0 H ALA A 15 12.714 7.316 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 15 13.177 6.540 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.168 4.274 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.735 5.205 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.086 4.981 -6.070 1.00 0.00 H new ATOM 259 N GLU A 16 15.649 6.534 -3.466 1.00 0.00 N ATOM 260 CA GLU A 16 17.096 6.551 -3.447 1.00 0.00 C ATOM 261 C GLU A 16 17.642 5.477 -2.507 1.00 0.00 C ATOM 262 O GLU A 16 17.282 5.423 -1.334 1.00 0.00 O ATOM 263 CB GLU A 16 17.575 7.932 -3.010 1.00 0.00 C ATOM 264 CG GLU A 16 19.026 8.199 -3.349 1.00 0.00 C ATOM 265 CD GLU A 16 19.282 8.111 -4.836 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.706 8.923 -5.590 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.059 7.232 -5.258 1.00 0.00 O ATOM 0 H GLU A 16 15.211 6.728 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 16 17.467 6.336 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.953 8.691 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.436 8.033 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.306 9.189 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.659 7.480 -2.828 1.00 0.00 H new ATOM 274 N ASN A 17 18.507 4.623 -3.034 1.00 0.00 N ATOM 275 CA ASN A 17 19.109 3.549 -2.243 1.00 0.00 C ATOM 276 C ASN A 17 20.203 4.099 -1.334 1.00 0.00 C ATOM 277 O ASN A 17 21.078 4.851 -1.770 1.00 0.00 O ATOM 278 CB ASN A 17 19.644 2.441 -3.168 1.00 0.00 C ATOM 279 CG ASN A 17 20.727 1.564 -2.544 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.721 1.277 -1.348 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.667 1.123 -3.366 1.00 0.00 N ATOM 0 H ASN A 17 18.811 4.649 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 17 18.343 3.110 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.812 1.807 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.043 2.901 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.415 0.527 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.643 1.380 -4.353 1.00 0.00 H new ATOM 288 N GLY A 18 20.121 3.728 -0.062 1.00 0.00 N ATOM 289 CA GLY A 18 21.030 4.252 0.933 1.00 0.00 C ATOM 290 C GLY A 18 20.533 5.580 1.436 1.00 0.00 C ATOM 291 O GLY A 18 21.272 6.366 2.035 1.00 0.00 O ATOM 0 H GLY A 18 19.433 3.067 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.119 3.550 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.026 4.366 0.504 1.00 0.00 H new ATOM 295 N LYS A 19 19.261 5.832 1.174 1.00 0.00 N ATOM 296 CA LYS A 19 18.653 7.106 1.474 1.00 0.00 C ATOM 297 C LYS A 19 17.226 6.898 1.954 1.00 0.00 C ATOM 298 O LYS A 19 16.546 5.972 1.512 1.00 0.00 O ATOM 299 CB LYS A 19 18.662 7.949 0.208 1.00 0.00 C ATOM 300 CG LYS A 19 18.365 9.420 0.433 1.00 0.00 C ATOM 301 CD LYS A 19 19.510 10.131 1.143 1.00 0.00 C ATOM 302 CE LYS A 19 19.200 11.606 1.377 1.00 0.00 C ATOM 303 NZ LYS A 19 19.156 12.369 0.104 1.00 0.00 N ATOM 0 H LYS A 19 18.627 5.156 0.748 1.00 0.00 H new ATOM 0 HA LYS A 19 19.210 7.612 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.638 7.857 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.927 7.545 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.177 9.903 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.454 9.520 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.704 9.644 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.419 10.040 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.243 11.699 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.956 12.037 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.078 13.385 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.026 12.191 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.333 12.065 -0.454 1.00 0.00 H new ATOM 317 N SER A 20 16.796 7.737 2.878 1.00 0.00 N ATOM 318 CA SER A 20 15.448 7.689 3.388 1.00 0.00 C ATOM 319 C SER A 20 14.442 8.060 2.304 1.00 0.00 C ATOM 320 O SER A 20 14.654 9.004 1.539 1.00 0.00 O ATOM 321 CB SER A 20 15.346 8.647 4.565 1.00 0.00 C ATOM 322 OG SER A 20 15.698 9.968 4.181 1.00 0.00 O ATOM 0 H SER A 20 17.374 8.468 3.292 1.00 0.00 H new ATOM 0 HA SER A 20 15.215 6.675 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.329 8.638 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.002 8.312 5.369 1.00 0.00 H new ATOM 0 HG SER A 20 15.623 10.565 4.955 1.00 0.00 H new ATOM 328 N ASN A 21 13.349 7.325 2.263 1.00 0.00 N ATOM 329 CA ASN A 21 12.345 7.477 1.220 1.00 0.00 C ATOM 330 C ASN A 21 10.960 7.275 1.831 1.00 0.00 C ATOM 331 O ASN A 21 10.856 6.889 2.998 1.00 0.00 O ATOM 332 CB ASN A 21 12.606 6.422 0.127 1.00 0.00 C ATOM 333 CG ASN A 21 11.889 6.690 -1.187 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.626 7.953 -1.513 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.567 5.751 -1.909 1.00 0.00 N flip ATOM 0 H ASN A 21 13.128 6.604 2.950 1.00 0.00 H new ATOM 0 HA ASN A 21 12.397 8.473 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.678 6.370 -0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.300 5.445 0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.784 4.795 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.082 5.927 -2.789 1.00 0.00 H new ATOM 342 N PHE A 22 9.902 7.519 1.067 1.00 0.00 N ATOM 343 CA PHE A 22 8.546 7.303 1.552 1.00 0.00 C ATOM 344 C PHE A 22 7.809 6.377 0.593 1.00 0.00 C ATOM 345 O PHE A 22 7.773 6.621 -0.615 1.00 0.00 O ATOM 346 CB PHE A 22 7.770 8.620 1.671 1.00 0.00 C ATOM 347 CG PHE A 22 8.210 9.524 2.788 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.442 10.155 2.757 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.368 9.755 3.861 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.827 10.998 3.780 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.747 10.595 4.887 1.00 0.00 C ATOM 352 CZ PHE A 22 8.978 11.217 4.846 1.00 0.00 C ATOM 0 H PHE A 22 9.958 7.866 0.110 1.00 0.00 H new ATOM 0 HA PHE A 22 8.612 6.855 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.860 9.162 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.713 8.389 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.108 9.986 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.403 9.272 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.790 11.485 3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.082 10.766 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.277 11.875 5.648 1.00 0.00 H new ATOM 362 N LEU A 23 7.224 5.322 1.132 1.00 0.00 N ATOM 363 CA LEU A 23 6.488 4.357 0.324 1.00 0.00 C ATOM 364 C LEU A 23 5.010 4.667 0.434 1.00 0.00 C ATOM 365 O LEU A 23 4.519 4.972 1.515 1.00 0.00 O ATOM 366 CB LEU A 23 6.757 2.917 0.812 1.00 0.00 C ATOM 367 CG LEU A 23 5.909 1.813 0.147 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.197 1.709 -1.345 1.00 0.00 C ATOM 369 CD2 LEU A 23 6.159 0.477 0.828 1.00 0.00 C ATOM 0 H LEU A 23 7.243 5.109 2.129 1.00 0.00 H new ATOM 0 HA LEU A 23 6.815 4.430 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.810 2.689 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.587 2.881 1.888 1.00 0.00 H new ATOM 0 HG LEU A 23 4.859 2.082 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.582 0.921 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.965 2.659 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.250 1.472 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.555 -0.294 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.214 0.217 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.888 0.549 1.881 1.00 0.00 H new ATOM 381 N ASN A 24 4.311 4.596 -0.676 1.00 0.00 N ATOM 382 CA ASN A 24 2.904 4.945 -0.707 1.00 0.00 C ATOM 383 C ASN A 24 2.079 3.804 -1.290 1.00 0.00 C ATOM 384 O ASN A 24 2.387 3.287 -2.366 1.00 0.00 O ATOM 385 CB ASN A 24 2.709 6.233 -1.514 1.00 0.00 C ATOM 386 CG ASN A 24 1.255 6.583 -1.728 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.624 6.090 -2.654 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.724 7.468 -0.899 1.00 0.00 N ATOM 0 H ASN A 24 4.693 4.299 -1.574 1.00 0.00 H new ATOM 0 HA ASN A 24 2.558 5.116 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.203 7.056 -0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.197 6.125 -2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.245 7.763 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.284 7.855 -0.139 1.00 0.00 H new ATOM 395 N CYS A 25 1.045 3.414 -0.559 1.00 0.00 N ATOM 396 CA CYS A 25 0.146 2.357 -0.987 1.00 0.00 C ATOM 397 C CYS A 25 -1.286 2.893 -0.971 1.00 0.00 C ATOM 398 O CYS A 25 -1.792 3.323 0.071 1.00 0.00 O ATOM 399 CB CYS A 25 0.299 1.143 -0.067 1.00 0.00 C ATOM 400 SG CYS A 25 -0.055 -0.459 -0.862 1.00 0.00 S ATOM 0 H CYS A 25 0.807 3.822 0.345 1.00 0.00 H new ATOM 0 HA CYS A 25 0.389 2.038 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.317 1.124 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.366 1.265 0.788 1.00 0.00 H new ATOM 405 N TYR A 26 -1.926 2.875 -2.132 1.00 0.00 N ATOM 406 CA TYR A 26 -3.244 3.472 -2.311 1.00 0.00 C ATOM 407 C TYR A 26 -4.232 2.402 -2.737 1.00 0.00 C ATOM 408 O TYR A 26 -4.257 2.003 -3.903 1.00 0.00 O ATOM 409 CB TYR A 26 -3.203 4.550 -3.403 1.00 0.00 C ATOM 410 CG TYR A 26 -3.211 5.995 -2.930 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.105 6.809 -3.132 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.337 6.564 -2.337 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.113 8.137 -2.762 1.00 0.00 C ATOM 414 CE2 TYR A 26 -4.348 7.894 -1.959 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.235 8.674 -2.180 1.00 0.00 C ATOM 416 OH TYR A 26 -3.241 10.002 -1.820 1.00 0.00 O ATOM 0 H TYR A 26 -1.547 2.447 -2.977 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.548 3.921 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.308 4.393 -4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.059 4.402 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.219 6.393 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.214 5.957 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.241 8.752 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.225 8.319 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.107 10.229 -1.422 1.00 0.00 H new ATOM 426 N VAL A 27 -5.045 1.935 -1.811 1.00 0.00 N ATOM 427 CA VAL A 27 -6.036 0.931 -2.141 1.00 0.00 C ATOM 428 C VAL A 27 -7.418 1.578 -2.188 1.00 0.00 C ATOM 429 O VAL A 27 -7.926 2.048 -1.172 1.00 0.00 O ATOM 430 CB VAL A 27 -6.035 -0.242 -1.135 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.623 -1.476 -1.786 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.632 -0.540 -0.619 1.00 0.00 C ATOM 0 H VAL A 27 -5.040 2.230 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.782 0.519 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.647 0.047 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.620 -2.300 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.647 -1.270 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.026 -1.748 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.672 -1.371 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.985 -0.805 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.234 0.342 -0.118 1.00 0.00 H new ATOM 442 N SER A 28 -8.007 1.628 -3.376 1.00 0.00 N ATOM 443 CA SER A 28 -9.289 2.294 -3.571 1.00 0.00 C ATOM 444 C SER A 28 -10.134 1.538 -4.593 1.00 0.00 C ATOM 445 O SER A 28 -9.632 0.633 -5.266 1.00 0.00 O ATOM 446 CB SER A 28 -9.060 3.739 -4.020 1.00 0.00 C ATOM 447 OG SER A 28 -8.098 3.805 -5.064 1.00 0.00 O ATOM 0 H SER A 28 -7.616 1.214 -4.222 1.00 0.00 H new ATOM 0 HA SER A 28 -9.831 2.303 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.001 4.170 -4.361 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.724 4.337 -3.173 1.00 0.00 H new ATOM 0 HG SER A 28 -7.971 4.739 -5.334 1.00 0.00 H new ATOM 453 N GLY A 29 -11.405 1.911 -4.711 1.00 0.00 N ATOM 454 CA GLY A 29 -12.305 1.194 -5.588 1.00 0.00 C ATOM 455 C GLY A 29 -12.783 -0.072 -4.925 1.00 0.00 C ATOM 456 O GLY A 29 -12.181 -1.118 -5.101 1.00 0.00 O ATOM 0 H GLY A 29 -11.825 2.697 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.157 1.825 -5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.798 0.954 -6.523 1.00 0.00 H new ATOM 460 N PHE A 30 -13.889 0.021 -4.192 1.00 0.00 N ATOM 461 CA PHE A 30 -14.261 -1.047 -3.261 1.00 0.00 C ATOM 462 C PHE A 30 -15.449 -0.608 -2.420 1.00 0.00 C ATOM 463 O PHE A 30 -15.865 0.550 -2.499 1.00 0.00 O ATOM 464 CB PHE A 30 -13.102 -1.529 -2.384 1.00 0.00 C ATOM 465 CG PHE A 30 -12.587 -0.584 -1.326 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.230 -0.445 -0.106 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.407 0.113 -1.535 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.708 0.369 0.879 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.889 0.937 -0.558 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.536 1.063 0.651 1.00 0.00 C ATOM 0 H PHE A 30 -14.535 0.809 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.543 -1.911 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.415 -2.449 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.269 -1.786 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.150 -0.980 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.886 0.009 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.216 0.463 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.976 1.484 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.128 1.703 1.419 1.00 0.00 H new ATOM 480 N HIS A 31 -15.970 -1.520 -1.607 1.00 0.00 N ATOM 481 CA HIS A 31 -16.959 -1.180 -0.580 1.00 0.00 C ATOM 482 C HIS A 31 -16.787 -2.190 0.554 1.00 0.00 C ATOM 483 O HIS A 31 -16.186 -3.230 0.326 1.00 0.00 O ATOM 484 CB HIS A 31 -18.422 -1.234 -1.100 1.00 0.00 C ATOM 485 CG HIS A 31 -18.681 -0.484 -2.377 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.715 -1.126 -3.595 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.934 0.834 -2.568 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.986 -0.191 -4.489 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.127 1.012 -3.916 1.00 0.00 N ATOM 0 H HIS A 31 -15.724 -2.509 -1.637 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.788 -0.154 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.698 -2.278 -1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.079 -0.838 -0.326 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -18.562 -2.119 -3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.976 1.598 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.082 -0.374 -5.549 1.00 0.00 H new ATOM 497 N PRO A 32 -17.244 -1.937 1.798 1.00 0.00 N ATOM 498 CA PRO A 32 -17.787 -0.654 2.281 1.00 0.00 C ATOM 499 C PRO A 32 -16.676 0.371 2.557 1.00 0.00 C ATOM 500 O PRO A 32 -15.616 0.329 1.935 1.00 0.00 O ATOM 501 CB PRO A 32 -18.478 -1.035 3.604 1.00 0.00 C ATOM 502 CG PRO A 32 -18.477 -2.525 3.653 1.00 0.00 C ATOM 503 CD PRO A 32 -17.288 -2.951 2.854 1.00 0.00 C ATOM 0 HA PRO A 32 -18.449 -0.190 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.945 -0.616 4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.495 -0.644 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.408 -2.884 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.397 -2.932 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.377 -2.956 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.409 -3.956 2.449 1.00 0.00 H new ATOM 511 N SER A 33 -16.926 1.286 3.491 1.00 0.00 N ATOM 512 CA SER A 33 -15.943 2.314 3.877 1.00 0.00 C ATOM 513 C SER A 33 -14.758 1.750 4.682 1.00 0.00 C ATOM 514 O SER A 33 -14.340 2.351 5.674 1.00 0.00 O ATOM 515 CB SER A 33 -16.637 3.407 4.707 1.00 0.00 C ATOM 516 OG SER A 33 -17.294 2.847 5.835 1.00 0.00 O ATOM 0 H SER A 33 -17.807 1.342 4.002 1.00 0.00 H new ATOM 0 HA SER A 33 -15.540 2.723 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.902 4.141 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.360 3.937 4.086 1.00 0.00 H new ATOM 0 HG SER A 33 -17.727 3.560 6.349 1.00 0.00 H new ATOM 522 N ASP A 34 -14.208 0.608 4.267 1.00 0.00 N ATOM 523 CA ASP A 34 -13.095 0.013 5.014 1.00 0.00 C ATOM 524 C ASP A 34 -12.343 -1.071 4.246 1.00 0.00 C ATOM 525 O ASP A 34 -12.939 -1.906 3.562 1.00 0.00 O ATOM 526 CB ASP A 34 -13.601 -0.548 6.350 1.00 0.00 C ATOM 527 CG ASP A 34 -12.668 -1.567 6.967 1.00 0.00 C ATOM 528 OD1 ASP A 34 -11.569 -1.180 7.407 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.048 -2.759 7.032 1.00 0.00 O ATOM 0 H ASP A 34 -14.503 0.087 3.441 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.379 0.817 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.742 0.275 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.578 -1.007 6.196 1.00 0.00 H new ATOM 534 N ILE A 35 -11.020 -1.028 4.380 1.00 0.00 N ATOM 535 CA ILE A 35 -10.136 -2.083 3.885 1.00 0.00 C ATOM 536 C ILE A 35 -8.871 -2.145 4.742 1.00 0.00 C ATOM 537 O ILE A 35 -8.489 -1.153 5.367 1.00 0.00 O ATOM 538 CB ILE A 35 -9.721 -1.888 2.401 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.197 -3.214 1.826 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.648 -0.814 2.281 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.236 -3.069 0.660 1.00 0.00 C ATOM 0 H ILE A 35 -10.528 -0.259 4.836 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.701 -3.013 3.950 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.597 -1.570 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.699 -3.767 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.047 -3.815 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.371 -0.692 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.033 0.130 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.771 -1.110 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.921 -4.057 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.733 -2.548 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.363 -2.499 0.977 1.00 0.00 H new ATOM 553 N GLU A 36 -8.224 -3.306 4.784 1.00 0.00 N ATOM 554 CA GLU A 36 -6.982 -3.469 5.521 1.00 0.00 C ATOM 555 C GLU A 36 -5.856 -3.782 4.541 1.00 0.00 C ATOM 556 O GLU A 36 -5.964 -4.713 3.737 1.00 0.00 O ATOM 557 CB GLU A 36 -7.099 -4.623 6.515 1.00 0.00 C ATOM 558 CG GLU A 36 -6.020 -4.625 7.592 1.00 0.00 C ATOM 559 CD GLU A 36 -6.330 -3.665 8.712 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.832 -4.123 9.759 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.081 -2.455 8.551 1.00 0.00 O ATOM 0 H GLU A 36 -8.545 -4.151 4.312 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.772 -2.547 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.077 -4.578 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.055 -5.565 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.916 -5.631 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.062 -4.361 7.144 1.00 0.00 H new ATOM 568 N VAL A 37 -4.784 -3.016 4.609 1.00 0.00 N ATOM 569 CA VAL A 37 -3.639 -3.227 3.734 1.00 0.00 C ATOM 570 C VAL A 37 -2.338 -3.120 4.521 1.00 0.00 C ATOM 571 O VAL A 37 -2.183 -2.267 5.396 1.00 0.00 O ATOM 572 CB VAL A 37 -3.664 -2.279 2.494 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.674 -1.175 2.697 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.290 -1.694 2.149 1.00 0.00 C ATOM 0 H VAL A 37 -4.679 -2.239 5.262 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.702 -4.240 3.336 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.959 -2.891 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.680 -0.522 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.665 -1.609 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.407 -0.596 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.379 -1.045 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.917 -1.117 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.595 -2.504 1.928 1.00 0.00 H new ATOM 584 N ASP A 38 -1.434 -4.030 4.224 1.00 0.00 N ATOM 585 CA ASP A 38 -0.176 -4.127 4.942 1.00 0.00 C ATOM 586 C ASP A 38 0.988 -4.109 3.968 1.00 0.00 C ATOM 587 O ASP A 38 0.855 -4.521 2.821 1.00 0.00 O ATOM 588 CB ASP A 38 -0.165 -5.379 5.841 1.00 0.00 C ATOM 589 CG ASP A 38 0.854 -6.434 5.457 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.456 -7.449 4.852 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.034 -6.282 5.816 1.00 0.00 O ATOM 0 H ASP A 38 -1.547 -4.721 3.482 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.067 -3.261 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.025 -5.069 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.157 -5.830 5.823 1.00 0.00 H new ATOM 596 N LEU A 39 2.113 -3.600 4.422 1.00 0.00 N ATOM 597 CA LEU A 39 3.277 -3.450 3.571 1.00 0.00 C ATOM 598 C LEU A 39 4.296 -4.530 3.902 1.00 0.00 C ATOM 599 O LEU A 39 4.531 -4.827 5.068 1.00 0.00 O ATOM 600 CB LEU A 39 3.900 -2.071 3.769 1.00 0.00 C ATOM 601 CG LEU A 39 2.941 -0.876 3.689 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.716 0.423 3.850 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.163 -0.862 2.387 1.00 0.00 C ATOM 0 H LEU A 39 2.248 -3.281 5.381 1.00 0.00 H new ATOM 0 HA LEU A 39 2.970 -3.551 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.389 -2.053 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.679 -1.936 3.018 1.00 0.00 H new ATOM 0 HG LEU A 39 2.220 -0.974 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.028 1.267 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.218 0.430 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.458 0.505 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.496 -0.000 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.857 -0.799 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.576 -1.777 2.304 1.00 0.00 H new ATOM 615 N LEU A 40 4.894 -5.114 2.882 1.00 0.00 N ATOM 616 CA LEU A 40 5.799 -6.231 3.071 1.00 0.00 C ATOM 617 C LEU A 40 7.226 -5.905 2.686 1.00 0.00 C ATOM 618 O LEU A 40 7.535 -4.839 2.162 1.00 0.00 O ATOM 619 CB LEU A 40 5.379 -7.447 2.254 1.00 0.00 C ATOM 620 CG LEU A 40 3.890 -7.778 2.235 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.625 -8.870 1.214 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.423 -8.210 3.615 1.00 0.00 C ATOM 0 H LEU A 40 4.769 -4.832 1.910 1.00 0.00 H new ATOM 0 HA LEU A 40 5.749 -6.449 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.707 -7.296 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.916 -8.315 2.636 1.00 0.00 H new ATOM 0 HG LEU A 40 3.330 -6.886 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.561 -9.106 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.933 -8.527 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.191 -9.762 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.359 -8.442 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.978 -9.095 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.597 -7.403 4.327 1.00 0.00 H new ATOM 634 N LYS A 41 8.064 -6.898 2.939 1.00 0.00 N ATOM 635 CA LYS A 41 9.473 -6.876 2.606 1.00 0.00 C ATOM 636 C LYS A 41 9.905 -8.282 2.271 1.00 0.00 C ATOM 637 O LYS A 41 10.102 -9.106 3.161 1.00 0.00 O ATOM 638 CB LYS A 41 10.306 -6.363 3.758 1.00 0.00 C ATOM 639 CG LYS A 41 9.781 -5.050 4.324 1.00 0.00 C ATOM 640 CD LYS A 41 10.657 -4.545 5.480 1.00 0.00 C ATOM 641 CE LYS A 41 10.460 -5.392 6.728 1.00 0.00 C ATOM 642 NZ LYS A 41 11.348 -4.962 7.840 1.00 0.00 N ATOM 0 H LYS A 41 7.772 -7.763 3.394 1.00 0.00 H new ATOM 0 HA LYS A 41 9.622 -6.207 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.326 -7.113 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.334 -6.225 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.750 -4.299 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.758 -5.187 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.705 -4.568 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.411 -3.506 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.420 -5.328 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.656 -6.438 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.181 -5.565 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.341 -5.047 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.143 -3.972 8.085 1.00 0.00 H new ATOM 656 N ASN A 42 10.001 -8.548 0.985 1.00 0.00 N ATOM 657 CA ASN A 42 10.336 -9.873 0.449 1.00 0.00 C ATOM 658 C ASN A 42 9.204 -10.883 0.693 1.00 0.00 C ATOM 659 O ASN A 42 9.063 -11.861 -0.044 1.00 0.00 O ATOM 660 CB ASN A 42 11.663 -10.389 1.049 1.00 0.00 C ATOM 661 CG ASN A 42 12.811 -9.410 0.852 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.053 -8.579 1.857 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 13.479 -9.410 -0.180 1.00 0.00 N flip ATOM 0 H ASN A 42 9.848 -7.845 0.262 1.00 0.00 H new ATOM 0 HA ASN A 42 10.461 -9.768 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.528 -10.576 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.920 -11.343 0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.260 -10.066 -0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.253 -8.754 -0.287 1.00 0.00 H new ATOM 670 N GLY A 43 8.385 -10.617 1.705 1.00 0.00 N ATOM 671 CA GLY A 43 7.292 -11.503 2.057 1.00 0.00 C ATOM 672 C GLY A 43 6.816 -11.283 3.484 1.00 0.00 C ATOM 673 O GLY A 43 5.802 -11.840 3.902 1.00 0.00 O ATOM 0 H GLY A 43 8.462 -9.789 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.461 -11.344 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.612 -12.538 1.937 1.00 0.00 H new ATOM 677 N GLU A 44 7.534 -10.439 4.222 1.00 0.00 N ATOM 678 CA GLU A 44 7.256 -10.219 5.630 1.00 0.00 C ATOM 679 C GLU A 44 6.570 -8.879 5.858 1.00 0.00 C ATOM 680 O GLU A 44 6.803 -7.925 5.127 1.00 0.00 O ATOM 681 CB GLU A 44 8.564 -10.273 6.402 1.00 0.00 C ATOM 682 CG GLU A 44 9.448 -9.052 6.217 1.00 0.00 C ATOM 683 CD GLU A 44 10.666 -9.075 7.115 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.583 -8.562 8.254 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.714 -9.600 6.687 1.00 0.00 O ATOM 0 H GLU A 44 8.317 -9.895 3.860 1.00 0.00 H new ATOM 0 HA GLU A 44 6.580 -10.998 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.342 -10.389 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.119 -11.159 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.769 -8.994 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.867 -8.153 6.422 1.00 0.00 H new ATOM 692 N ARG A 45 5.718 -8.830 6.869 1.00 0.00 N ATOM 693 CA ARG A 45 4.981 -7.621 7.217 1.00 0.00 C ATOM 694 C ARG A 45 5.883 -6.553 7.840 1.00 0.00 C ATOM 695 O ARG A 45 6.735 -6.855 8.680 1.00 0.00 O ATOM 696 CB ARG A 45 3.864 -7.995 8.190 1.00 0.00 C ATOM 697 CG ARG A 45 3.028 -6.846 8.676 1.00 0.00 C ATOM 698 CD ARG A 45 1.670 -7.392 9.117 1.00 0.00 C ATOM 699 NE ARG A 45 1.014 -8.106 8.022 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.039 -8.907 8.170 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.585 -9.080 9.367 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.565 -9.511 7.112 1.00 0.00 N ATOM 0 H ARG A 45 5.516 -9.627 7.473 1.00 0.00 H new ATOM 0 HA ARG A 45 4.568 -7.194 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.210 -8.720 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.307 -8.492 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.522 -6.342 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.901 -6.107 7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.802 -8.062 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.036 -6.572 9.453 1.00 0.00 H new ATOM 0 HE ARG A 45 1.389 -7.982 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.198 -8.598 10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.392 -9.695 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.163 -9.361 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.372 -10.125 7.224 1.00 0.00 H new ATOM 716 N ILE A 46 5.679 -5.310 7.416 1.00 0.00 N ATOM 717 CA ILE A 46 6.354 -4.155 7.980 1.00 0.00 C ATOM 718 C ILE A 46 5.536 -3.626 9.141 1.00 0.00 C ATOM 719 O ILE A 46 4.309 -3.567 9.067 1.00 0.00 O ATOM 720 CB ILE A 46 6.507 -3.018 6.946 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.298 -3.474 5.725 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.183 -1.807 7.582 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.308 -2.447 4.609 1.00 0.00 C ATOM 0 H ILE A 46 5.032 -5.078 6.662 1.00 0.00 H new ATOM 0 HA ILE A 46 7.346 -4.472 8.300 1.00 0.00 H new ATOM 0 HB ILE A 46 5.507 -2.738 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.324 -3.689 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.873 -4.405 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.283 -1.015 6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.579 -1.449 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.171 -2.091 7.945 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.887 -2.829 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.286 -2.250 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.759 -1.522 4.969 1.00 0.00 H new ATOM 735 N GLU A 47 6.201 -3.235 10.206 1.00 0.00 N ATOM 736 CA GLU A 47 5.512 -2.762 11.395 1.00 0.00 C ATOM 737 C GLU A 47 5.464 -1.229 11.474 1.00 0.00 C ATOM 738 O GLU A 47 4.482 -0.673 11.956 1.00 0.00 O ATOM 739 CB GLU A 47 6.137 -3.362 12.666 1.00 0.00 C ATOM 740 CG GLU A 47 7.663 -3.445 12.683 1.00 0.00 C ATOM 741 CD GLU A 47 8.244 -4.500 11.763 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.786 -4.125 10.697 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.178 -5.700 12.102 1.00 0.00 O ATOM 0 H GLU A 47 7.219 -3.234 10.277 1.00 0.00 H new ATOM 0 HA GLU A 47 4.480 -3.106 11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.815 -2.768 13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.736 -4.366 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.070 -2.473 12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.992 -3.648 13.702 1.00 0.00 H new ATOM 750 N LYS A 48 6.519 -0.546 11.014 1.00 0.00 N ATOM 751 CA LYS A 48 6.542 0.922 10.958 1.00 0.00 C ATOM 752 C LYS A 48 5.538 1.501 9.963 1.00 0.00 C ATOM 753 O LYS A 48 5.600 2.686 9.631 1.00 0.00 O ATOM 754 CB LYS A 48 7.941 1.384 10.582 1.00 0.00 C ATOM 755 CG LYS A 48 8.988 0.939 11.572 1.00 0.00 C ATOM 756 CD LYS A 48 9.330 2.034 12.556 1.00 0.00 C ATOM 757 CE LYS A 48 10.315 1.546 13.604 1.00 0.00 C ATOM 758 NZ LYS A 48 11.615 1.148 13.004 1.00 0.00 N ATOM 0 H LYS A 48 7.372 -0.989 10.673 1.00 0.00 H new ATOM 0 HA LYS A 48 6.258 1.285 11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.193 0.998 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.953 2.472 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.628 0.064 12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.888 0.636 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.754 2.885 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.421 2.385 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.481 2.333 14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.887 0.697 14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.310 0.984 13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.490 0.275 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.956 1.906 12.379 1.00 0.00 H new ATOM 772 N VAL A 49 4.648 0.670 9.463 1.00 0.00 N ATOM 773 CA VAL A 49 3.587 1.134 8.588 1.00 0.00 C ATOM 774 C VAL A 49 2.556 1.937 9.371 1.00 0.00 C ATOM 775 O VAL A 49 2.116 1.524 10.444 1.00 0.00 O ATOM 776 CB VAL A 49 2.868 -0.031 7.895 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.809 0.493 6.938 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.863 -0.909 7.168 1.00 0.00 C ATOM 0 H VAL A 49 4.637 -0.333 9.647 1.00 0.00 H new ATOM 0 HA VAL A 49 4.058 1.762 7.832 1.00 0.00 H new ATOM 0 HB VAL A 49 2.372 -0.635 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.308 -0.346 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.078 1.082 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.281 1.119 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.336 -1.730 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.388 -0.319 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.583 -1.311 7.881 1.00 0.00 H new ATOM 788 N GLU A 50 2.174 3.079 8.827 1.00 0.00 N ATOM 789 CA GLU A 50 1.149 3.900 9.429 1.00 0.00 C ATOM 790 C GLU A 50 0.114 4.279 8.388 1.00 0.00 C ATOM 791 O GLU A 50 0.430 4.471 7.212 1.00 0.00 O ATOM 792 CB GLU A 50 1.736 5.168 10.047 1.00 0.00 C ATOM 793 CG GLU A 50 2.821 4.918 11.076 1.00 0.00 C ATOM 794 CD GLU A 50 3.315 6.204 11.700 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.331 6.757 11.219 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.682 6.684 12.662 1.00 0.00 O ATOM 0 H GLU A 50 2.564 3.457 7.964 1.00 0.00 H new ATOM 0 HA GLU A 50 0.682 3.318 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.144 5.791 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.932 5.735 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.437 4.260 11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.656 4.399 10.604 1.00 0.00 H new ATOM 803 N HIS A 51 -1.116 4.361 8.828 1.00 0.00 N ATOM 804 CA HIS A 51 -2.203 4.828 7.988 1.00 0.00 C ATOM 805 C HIS A 51 -2.717 6.158 8.498 1.00 0.00 C ATOM 806 O HIS A 51 -2.865 6.363 9.706 1.00 0.00 O ATOM 807 CB HIS A 51 -3.344 3.804 7.916 1.00 0.00 C ATOM 808 CG HIS A 51 -3.855 3.336 9.249 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.093 3.709 9.710 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.276 2.514 10.157 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.239 3.105 10.877 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.164 2.372 11.189 1.00 0.00 N ATOM 0 H HIS A 51 -1.397 4.108 9.775 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.815 4.957 6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.172 4.242 7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.001 2.938 7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.300 2.058 10.081 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.116 3.192 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.032 1.815 12.033 1.00 0.00 H new ATOM 820 N SER A 52 -2.952 7.067 7.569 1.00 0.00 N ATOM 821 CA SER A 52 -3.492 8.374 7.900 1.00 0.00 C ATOM 822 C SER A 52 -4.933 8.252 8.394 1.00 0.00 C ATOM 823 O SER A 52 -5.527 7.172 8.338 1.00 0.00 O ATOM 824 CB SER A 52 -3.425 9.284 6.664 1.00 0.00 C ATOM 825 OG SER A 52 -2.085 9.430 6.218 1.00 0.00 O ATOM 0 H SER A 52 -2.776 6.923 6.575 1.00 0.00 H new ATOM 0 HA SER A 52 -2.896 8.812 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.036 8.865 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.842 10.262 6.904 1.00 0.00 H new ATOM 0 HG SER A 52 -1.492 9.534 6.991 1.00 0.00 H new ATOM 973 N PHE A 62 -14.097 5.995 -1.386 1.00 0.00 N ATOM 974 CA PHE A 62 -13.414 6.334 -0.152 1.00 0.00 C ATOM 975 C PHE A 62 -11.938 5.991 -0.297 1.00 0.00 C ATOM 976 O PHE A 62 -11.595 4.990 -0.934 1.00 0.00 O ATOM 977 CB PHE A 62 -14.059 5.570 1.017 1.00 0.00 C ATOM 978 CG PHE A 62 -13.109 5.147 2.108 1.00 0.00 C ATOM 979 CD1 PHE A 62 -12.701 6.038 3.086 1.00 0.00 C ATOM 980 CD2 PHE A 62 -12.639 3.842 2.162 1.00 0.00 C ATOM 981 CE1 PHE A 62 -11.845 5.636 4.096 1.00 0.00 C ATOM 982 CE2 PHE A 62 -11.780 3.437 3.166 1.00 0.00 C ATOM 983 CZ PHE A 62 -11.384 4.335 4.136 1.00 0.00 C ATOM 0 HA PHE A 62 -13.503 7.400 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.835 6.197 1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -14.552 4.682 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.055 7.058 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.949 3.133 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.537 6.341 4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.419 2.419 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.716 4.021 4.924 1.00 0.00 H new ATOM 993 N TYR A 63 -11.066 6.824 0.254 1.00 0.00 N ATOM 994 CA TYR A 63 -9.639 6.587 0.131 1.00 0.00 C ATOM 995 C TYR A 63 -9.051 6.182 1.476 1.00 0.00 C ATOM 996 O TYR A 63 -9.457 6.688 2.522 1.00 0.00 O ATOM 997 CB TYR A 63 -8.929 7.853 -0.375 1.00 0.00 C ATOM 998 CG TYR A 63 -9.598 8.520 -1.559 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.359 8.091 -2.859 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.460 9.594 -1.371 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.963 8.714 -3.939 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.067 10.218 -2.443 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.815 9.775 -3.724 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.416 10.398 -4.794 1.00 0.00 O ATOM 0 H TYR A 63 -11.319 7.658 0.783 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.488 5.779 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.868 8.571 0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.906 7.595 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.692 7.259 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.658 9.946 -0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.767 8.370 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.736 11.050 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.987 11.126 -4.470 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.084 5.282 1.428 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.335 4.891 2.608 1.00 0.00 C ATOM 1016 C LEU A 64 -5.885 4.638 2.218 1.00 0.00 C ATOM 1017 O LEU A 64 -5.601 3.937 1.243 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.010 3.671 3.272 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.210 2.926 4.338 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.136 2.505 5.465 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.546 1.709 3.723 1.00 0.00 C ATOM 0 H LEU A 64 -7.797 4.804 0.574 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.334 5.689 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.944 4.006 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.271 2.961 2.488 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.438 3.583 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.565 1.973 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.595 3.389 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.914 1.850 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.976 1.180 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.309 1.046 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.875 2.025 2.924 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.976 5.233 2.977 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.567 5.240 2.622 1.00 0.00 C ATOM 1035 C LEU A 65 -2.736 4.527 3.685 1.00 0.00 C ATOM 1036 O LEU A 65 -2.879 4.792 4.877 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.092 6.689 2.482 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.020 6.967 1.417 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.751 8.460 1.335 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.723 6.228 1.710 1.00 0.00 C ATOM 0 H LEU A 65 -5.192 5.719 3.847 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.439 4.712 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.959 7.311 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.704 7.014 3.447 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.401 6.604 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.990 8.652 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.670 8.981 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.400 8.820 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.007 6.453 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.333 6.546 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.912 5.155 1.731 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.866 3.638 3.240 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.936 2.948 4.125 1.00 0.00 C ATOM 1054 C TYR A 66 0.492 3.183 3.652 1.00 0.00 C ATOM 1055 O TYR A 66 0.858 2.797 2.544 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.242 1.448 4.179 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.178 1.018 5.295 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.544 0.855 5.084 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.677 0.724 6.558 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.375 0.419 6.097 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.505 0.293 7.577 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.850 0.139 7.341 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.668 -0.281 8.365 1.00 0.00 O ATOM 0 H TYR A 66 -1.782 3.373 2.259 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.050 3.349 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.677 1.148 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.303 0.906 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.961 1.073 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.619 0.835 6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.433 0.298 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.097 0.078 8.554 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.885 -1.229 8.243 1.00 0.00 H new ATOM 1073 N TYR A 67 1.291 3.834 4.485 1.00 0.00 N ATOM 1074 CA TYR A 67 2.649 4.201 4.100 1.00 0.00 C ATOM 1075 C TYR A 67 3.634 3.925 5.225 1.00 0.00 C ATOM 1076 O TYR A 67 3.242 3.733 6.377 1.00 0.00 O ATOM 1077 CB TYR A 67 2.724 5.684 3.691 1.00 0.00 C ATOM 1078 CG TYR A 67 2.329 6.663 4.779 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.005 7.052 4.946 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.282 7.207 5.633 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.643 7.949 5.932 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.928 8.106 6.621 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.607 8.474 6.767 1.00 0.00 C ATOM 1084 OH TYR A 67 1.241 9.359 7.755 1.00 0.00 O ATOM 0 H TYR A 67 1.026 4.119 5.428 1.00 0.00 H new ATOM 0 HA TYR A 67 2.922 3.586 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.742 5.908 3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.078 5.842 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.246 6.646 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.318 6.922 5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.391 8.238 6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.682 8.518 7.275 1.00 0.00 H new ATOM 0 HH TYR A 67 2.036 9.636 8.257 1.00 0.00 H new ATOM 1094 N THR A 68 4.908 3.895 4.881 1.00 0.00 N ATOM 1095 CA THR A 68 5.957 3.713 5.867 1.00 0.00 C ATOM 1096 C THR A 68 7.237 4.399 5.405 1.00 0.00 C ATOM 1097 O THR A 68 7.475 4.552 4.201 1.00 0.00 O ATOM 1098 CB THR A 68 6.227 2.210 6.139 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.091 2.062 7.272 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.852 1.523 4.929 1.00 0.00 C ATOM 0 H THR A 68 5.242 3.995 3.923 1.00 0.00 H new ATOM 0 HA THR A 68 5.621 4.167 6.799 1.00 0.00 H new ATOM 0 HB THR A 68 5.267 1.735 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.254 1.110 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.027 0.472 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.177 1.602 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.800 2.004 4.687 1.00 0.00 H new ATOM 1108 N GLU A 69 8.029 4.847 6.368 1.00 0.00 N ATOM 1109 CA GLU A 69 9.317 5.452 6.083 1.00 0.00 C ATOM 1110 C GLU A 69 10.384 4.367 6.079 1.00 0.00 C ATOM 1111 O GLU A 69 10.519 3.606 7.042 1.00 0.00 O ATOM 1112 CB GLU A 69 9.646 6.521 7.131 1.00 0.00 C ATOM 1113 CG GLU A 69 10.887 7.341 6.811 1.00 0.00 C ATOM 1114 CD GLU A 69 11.305 8.225 7.964 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.418 8.027 8.498 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.519 9.112 8.357 1.00 0.00 O ATOM 0 H GLU A 69 7.798 4.801 7.360 1.00 0.00 H new ATOM 0 HA GLU A 69 9.285 5.934 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.794 7.194 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.782 6.037 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.707 6.670 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.695 7.959 5.934 1.00 0.00 H new ATOM 1123 N PHE A 70 11.144 4.310 5.002 1.00 0.00 N ATOM 1124 CA PHE A 70 12.075 3.217 4.777 1.00 0.00 C ATOM 1125 C PHE A 70 13.332 3.744 4.107 1.00 0.00 C ATOM 1126 O PHE A 70 13.324 4.832 3.533 1.00 0.00 O ATOM 1127 CB PHE A 70 11.420 2.100 3.937 1.00 0.00 C ATOM 1128 CG PHE A 70 11.029 2.479 2.525 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.611 3.757 2.207 1.00 0.00 C ATOM 1130 CD2 PHE A 70 11.069 1.530 1.520 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.247 4.082 0.912 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.704 1.843 0.224 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.293 3.123 -0.082 1.00 0.00 C ATOM 0 H PHE A 70 11.135 5.013 4.263 1.00 0.00 H new ATOM 0 HA PHE A 70 12.350 2.783 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.109 1.257 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.528 1.754 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.568 4.512 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.391 0.526 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.927 5.086 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.741 1.087 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.009 3.375 -1.093 1.00 0.00 H new ATOM 1143 N THR A 71 14.409 2.993 4.197 1.00 0.00 N ATOM 1144 CA THR A 71 15.634 3.339 3.515 1.00 0.00 C ATOM 1145 C THR A 71 15.959 2.266 2.475 1.00 0.00 C ATOM 1146 O THR A 71 16.618 1.276 2.784 1.00 0.00 O ATOM 1147 CB THR A 71 16.797 3.485 4.518 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.432 4.430 5.535 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.068 3.956 3.828 1.00 0.00 C ATOM 0 H THR A 71 14.459 2.132 4.741 1.00 0.00 H new ATOM 0 HA THR A 71 15.500 4.298 3.014 1.00 0.00 H new ATOM 0 HB THR A 71 16.990 2.508 4.960 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.169 4.523 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.868 4.049 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.357 3.233 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.891 4.925 3.361 1.00 0.00 H new ATOM 1157 N PRO A 72 15.437 2.424 1.240 1.00 0.00 N ATOM 1158 CA PRO A 72 15.658 1.475 0.143 1.00 0.00 C ATOM 1159 C PRO A 72 17.115 1.105 -0.047 1.00 0.00 C ATOM 1160 O PRO A 72 18.014 1.936 0.076 1.00 0.00 O ATOM 1161 CB PRO A 72 15.127 2.208 -1.102 1.00 0.00 C ATOM 1162 CG PRO A 72 14.855 3.612 -0.661 1.00 0.00 C ATOM 1163 CD PRO A 72 14.583 3.538 0.812 1.00 0.00 C ATOM 0 HA PRO A 72 15.156 0.529 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.858 2.186 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.221 1.734 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.708 4.258 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.002 4.030 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.844 4.467 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.531 3.345 1.021 1.00 0.00 H new ATOM 1171 N THR A 73 17.320 -0.166 -0.327 1.00 0.00 N ATOM 1172 CA THR A 73 18.631 -0.734 -0.515 1.00 0.00 C ATOM 1173 C THR A 73 18.721 -1.345 -1.905 1.00 0.00 C ATOM 1174 O THR A 73 17.757 -1.285 -2.669 1.00 0.00 O ATOM 1175 CB THR A 73 18.926 -1.814 0.548 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.056 -2.939 0.364 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.721 -1.260 1.945 1.00 0.00 C ATOM 0 H THR A 73 16.563 -0.842 -0.431 1.00 0.00 H new ATOM 0 HA THR A 73 19.371 0.059 -0.409 1.00 0.00 H new ATOM 0 HB THR A 73 19.964 -2.126 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.354 -3.679 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.934 -2.037 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.393 -0.416 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.689 -0.928 2.057 1.00 0.00 H new ATOM 1185 N GLU A 74 19.859 -1.924 -2.241 1.00 0.00 N ATOM 1186 CA GLU A 74 20.012 -2.548 -3.546 1.00 0.00 C ATOM 1187 C GLU A 74 19.396 -3.958 -3.526 1.00 0.00 C ATOM 1188 O GLU A 74 18.803 -4.410 -4.507 1.00 0.00 O ATOM 1189 CB GLU A 74 21.488 -2.645 -3.914 1.00 0.00 C ATOM 1190 CG GLU A 74 21.746 -2.650 -5.399 1.00 0.00 C ATOM 1191 CD GLU A 74 21.791 -1.256 -5.997 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.735 -0.756 -6.444 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.886 -0.653 -6.033 1.00 0.00 O ATOM 0 H GLU A 74 20.681 -1.976 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 74 19.498 -1.937 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.021 -1.807 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.902 -3.555 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.692 -3.155 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.967 -3.228 -5.896 1.00 0.00 H new ATOM 1200 N LYS A 75 19.542 -4.633 -2.381 1.00 0.00 N ATOM 1201 CA LYS A 75 19.227 -6.044 -2.242 1.00 0.00 C ATOM 1202 C LYS A 75 17.766 -6.324 -1.867 1.00 0.00 C ATOM 1203 O LYS A 75 17.225 -7.359 -2.250 1.00 0.00 O ATOM 1204 CB LYS A 75 20.121 -6.645 -1.158 1.00 0.00 C ATOM 1205 CG LYS A 75 21.611 -6.554 -1.446 1.00 0.00 C ATOM 1206 CD LYS A 75 22.369 -6.087 -0.217 1.00 0.00 C ATOM 1207 CE LYS A 75 23.868 -6.032 -0.457 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.595 -5.496 0.725 1.00 0.00 N ATOM 0 H LYS A 75 19.886 -4.204 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 75 19.398 -6.495 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.915 -6.140 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.853 -7.693 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.985 -7.528 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.785 -5.863 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.012 -5.099 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.160 -6.760 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.236 -7.031 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.075 -5.407 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.615 -5.473 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.261 -4.533 0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.418 -6.107 1.548 1.00 0.00 H new ATOM 1222 N ASP A 76 17.114 -5.430 -1.125 1.00 0.00 N ATOM 1223 CA ASP A 76 15.822 -5.799 -0.522 1.00 0.00 C ATOM 1224 C ASP A 76 14.661 -5.462 -1.455 1.00 0.00 C ATOM 1225 O ASP A 76 14.879 -4.962 -2.557 1.00 0.00 O ATOM 1226 CB ASP A 76 15.619 -5.139 0.843 1.00 0.00 C ATOM 1227 CG ASP A 76 14.846 -6.037 1.779 1.00 0.00 C ATOM 1228 OD1 ASP A 76 13.639 -5.800 1.965 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.436 -6.996 2.317 1.00 0.00 O ATOM 0 H ASP A 76 17.436 -4.482 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 76 15.841 -6.878 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.588 -4.901 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.086 -4.196 0.718 1.00 0.00 H new ATOM 1234 N GLU A 77 13.428 -5.726 -1.011 1.00 0.00 N ATOM 1235 CA GLU A 77 12.268 -5.568 -1.894 1.00 0.00 C ATOM 1236 C GLU A 77 10.976 -5.550 -1.108 1.00 0.00 C ATOM 1237 O GLU A 77 10.527 -6.560 -0.579 1.00 0.00 O ATOM 1238 CB GLU A 77 12.232 -6.731 -2.858 1.00 0.00 C ATOM 1239 CG GLU A 77 11.346 -6.569 -4.088 1.00 0.00 C ATOM 1240 CD GLU A 77 12.009 -5.772 -5.191 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.980 -6.276 -5.792 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.536 -4.660 -5.493 1.00 0.00 O ATOM 0 H GLU A 77 13.209 -6.043 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 77 12.363 -4.620 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.250 -6.927 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.901 -7.615 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.079 -7.555 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.418 -6.077 -3.798 1.00 0.00 H new ATOM 1249 N TYR A 78 10.391 -4.394 -1.053 1.00 0.00 N ATOM 1250 CA TYR A 78 9.154 -4.212 -0.322 1.00 0.00 C ATOM 1251 C TYR A 78 7.937 -4.475 -1.198 1.00 0.00 C ATOM 1252 O TYR A 78 7.992 -4.374 -2.423 1.00 0.00 O ATOM 1253 CB TYR A 78 9.082 -2.810 0.316 1.00 0.00 C ATOM 1254 CG TYR A 78 10.406 -2.267 0.845 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.454 -1.939 -0.016 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.597 -2.055 2.208 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.645 -1.427 0.464 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.788 -1.541 2.694 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.806 -1.230 1.818 1.00 0.00 C ATOM 1260 OH TYR A 78 13.988 -0.717 2.300 1.00 0.00 O ATOM 0 H TYR A 78 10.745 -3.551 -1.505 1.00 0.00 H new ATOM 0 HA TYR A 78 9.144 -4.948 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.691 -2.112 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.366 -2.839 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.332 -2.088 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.802 -2.296 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.445 -1.183 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.918 -1.385 3.755 1.00 0.00 H new ATOM 0 HH TYR A 78 13.937 -0.639 3.276 1.00 0.00 H new ATOM 1270 N ALA A 79 6.851 -4.851 -0.541 1.00 0.00 N ATOM 1271 CA ALA A 79 5.609 -5.241 -1.225 1.00 0.00 C ATOM 1272 C ALA A 79 4.374 -4.639 -0.553 1.00 0.00 C ATOM 1273 O ALA A 79 4.459 -4.131 0.556 1.00 0.00 O ATOM 1274 CB ALA A 79 5.496 -6.758 -1.284 1.00 0.00 C ATOM 0 H ALA A 79 6.796 -4.897 0.476 1.00 0.00 H new ATOM 0 HA ALA A 79 5.653 -4.845 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.572 -7.035 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.347 -7.165 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.488 -7.162 -0.272 1.00 0.00 H new ATOM 1280 N CYS A 80 3.242 -4.646 -1.249 1.00 0.00 N ATOM 1281 CA CYS A 80 1.971 -4.194 -0.681 1.00 0.00 C ATOM 1282 C CYS A 80 0.971 -5.350 -0.646 1.00 0.00 C ATOM 1283 O CYS A 80 0.805 -6.061 -1.636 1.00 0.00 O ATOM 1284 CB CYS A 80 1.387 -3.053 -1.520 1.00 0.00 C ATOM 1285 SG CYS A 80 1.757 -1.386 -0.891 1.00 0.00 S ATOM 0 H CYS A 80 3.176 -4.962 -2.216 1.00 0.00 H new ATOM 0 HA CYS A 80 2.156 -3.839 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.768 -3.136 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.305 -3.175 -1.573 1.00 0.00 H new ATOM 1290 N ARG A 81 0.325 -5.538 0.495 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.689 -6.575 0.664 1.00 0.00 C ATOM 1292 C ARG A 81 -2.027 -5.938 1.018 1.00 0.00 C ATOM 1293 O ARG A 81 -2.076 -5.041 1.849 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.299 -7.504 1.814 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.030 -8.838 1.826 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.660 -9.653 3.062 1.00 0.00 C ATOM 1297 NE ARG A 81 0.703 -10.170 3.003 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.051 -11.376 3.448 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.138 -12.182 3.981 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.311 -11.782 3.361 1.00 0.00 N ATOM 0 H ARG A 81 0.487 -4.977 1.332 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.766 -7.134 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.773 -7.693 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.489 -6.992 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.106 -8.667 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.781 -9.401 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.771 -9.031 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.356 -10.485 3.167 1.00 0.00 H new ATOM 0 HE ARG A 81 1.428 -9.576 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.833 -11.877 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.409 -13.105 4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.017 -11.170 2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.574 -12.706 3.703 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.110 -6.391 0.407 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.433 -5.945 0.832 1.00 0.00 C ATOM 1316 C VAL A 82 -5.346 -7.129 1.054 1.00 0.00 C ATOM 1317 O VAL A 82 -5.302 -8.127 0.331 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.104 -4.948 -0.138 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.083 -3.992 -0.686 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.850 -5.651 -1.255 1.00 0.00 C ATOM 0 H VAL A 82 -3.105 -7.053 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.273 -5.408 1.767 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.846 -4.384 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.568 -3.294 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.625 -3.439 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.314 -4.549 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.305 -4.909 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.154 -6.264 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.628 -6.285 -0.830 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.131 -7.019 2.091 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.077 -8.049 2.455 1.00 0.00 C ATOM 1332 C ASN A 83 -8.484 -7.489 2.394 1.00 0.00 C ATOM 1333 O ASN A 83 -8.817 -6.570 3.145 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.807 -8.546 3.883 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.345 -8.876 4.158 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -4.947 -10.038 4.191 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.529 -7.849 4.344 1.00 0.00 N ATOM 0 H ASN A 83 -6.136 -6.210 2.713 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.970 -8.879 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.136 -7.785 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.410 -9.435 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.538 -8.011 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.892 -6.896 4.310 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.305 -8.008 1.497 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.689 -7.632 1.460 1.00 0.00 C ATOM 1346 C HIS A 84 -11.517 -8.876 1.198 1.00 0.00 C ATOM 1347 O HIS A 84 -11.016 -9.855 0.636 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.937 -6.592 0.373 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.216 -5.839 0.574 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.357 -6.211 -0.086 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.496 -4.774 1.374 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.297 -5.378 0.317 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.823 -4.491 1.200 1.00 0.00 N ATOM 0 H HIS A 84 -9.028 -8.689 0.790 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.973 -7.188 2.414 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.105 -5.888 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.960 -7.086 -0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.805 -4.254 2.020 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.322 -5.408 -0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.350 -3.746 1.656 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.772 -8.837 1.606 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.660 -9.975 1.441 1.00 0.00 C ATOM 1363 C VAL A 85 -13.883 -10.266 -0.041 1.00 0.00 C ATOM 1364 O VAL A 85 -14.201 -11.392 -0.420 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.021 -9.738 2.141 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.806 -8.624 1.462 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.836 -11.021 2.188 1.00 0.00 C ATOM 0 H VAL A 85 -13.201 -8.028 2.055 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.182 -10.836 1.909 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.817 -9.425 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.756 -8.482 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.231 -7.699 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.993 -8.892 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.788 -10.830 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.020 -11.372 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.285 -11.782 2.741 1.00 0.00 H new ATOM 1377 N THR A 86 -13.702 -9.248 -0.874 1.00 0.00 N ATOM 1378 CA THR A 86 -13.923 -9.377 -2.302 1.00 0.00 C ATOM 1379 C THR A 86 -12.913 -10.316 -2.932 1.00 0.00 C ATOM 1380 O THR A 86 -13.265 -11.249 -3.658 1.00 0.00 O ATOM 1381 CB THR A 86 -13.792 -8.016 -2.980 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.579 -7.390 -2.554 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.958 -7.124 -2.637 1.00 0.00 C ATOM 0 H THR A 86 -13.401 -8.319 -0.578 1.00 0.00 H new ATOM 0 HA THR A 86 -14.927 -9.778 -2.440 1.00 0.00 H new ATOM 0 HB THR A 86 -13.780 -8.169 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.779 -6.728 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.838 -6.161 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.884 -7.592 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.996 -6.973 -1.558 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.649 -10.045 -2.643 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.557 -10.813 -3.199 1.00 0.00 C ATOM 1393 C LEU A 87 -10.629 -12.244 -2.697 1.00 0.00 C ATOM 1394 O LEU A 87 -10.228 -13.170 -3.393 1.00 0.00 O ATOM 1395 CB LEU A 87 -9.201 -10.190 -2.829 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.939 -8.786 -3.394 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.507 -8.338 -3.101 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.217 -8.753 -4.891 1.00 0.00 C ATOM 0 H LEU A 87 -11.358 -9.291 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.647 -10.806 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.127 -10.144 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.410 -10.855 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.617 -8.089 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.347 -7.341 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.346 -8.317 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.806 -9.036 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.026 -7.751 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.566 -9.465 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.258 -9.019 -5.074 1.00 0.00 H new ATOM 1410 N SER A 88 -11.141 -12.386 -1.461 1.00 0.00 N ATOM 1411 CA SER A 88 -11.310 -13.674 -0.762 1.00 0.00 C ATOM 1412 C SER A 88 -9.955 -14.329 -0.470 1.00 0.00 C ATOM 1413 O SER A 88 -9.851 -15.259 0.333 1.00 0.00 O ATOM 1414 CB SER A 88 -12.238 -14.627 -1.539 1.00 0.00 C ATOM 1415 OG SER A 88 -11.609 -15.162 -2.693 1.00 0.00 O ATOM 0 H SER A 88 -11.456 -11.590 -0.907 1.00 0.00 H new ATOM 0 HA SER A 88 -11.790 -13.464 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.549 -15.442 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.141 -14.092 -1.834 1.00 0.00 H new ATOM 0 HG SER A 88 -10.887 -14.564 -2.979 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.926 -13.799 -1.113 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.553 -14.224 -0.965 1.00 0.00 C ATOM 1423 C GLN A 89 -6.715 -12.964 -1.155 1.00 0.00 C ATOM 1424 O GLN A 89 -6.744 -12.381 -2.239 1.00 0.00 O ATOM 1425 CB GLN A 89 -7.186 -15.251 -2.046 1.00 0.00 C ATOM 1426 CG GLN A 89 -8.271 -16.289 -2.311 1.00 0.00 C ATOM 1427 CD GLN A 89 -8.060 -17.064 -3.594 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -6.933 -17.255 -4.043 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -9.149 -17.538 -4.182 1.00 0.00 N ATOM 0 H GLN A 89 -9.034 -13.032 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.385 -14.694 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.968 -14.723 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.271 -15.764 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.307 -16.987 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.239 -15.790 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.067 -17.357 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.069 -18.084 -5.040 1.00 0.00 H new ATOM 1438 N PRO A 90 -6.016 -12.486 -0.109 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.292 -11.200 -0.154 1.00 0.00 C ATOM 1440 C PRO A 90 -4.416 -11.021 -1.385 1.00 0.00 C ATOM 1441 O PRO A 90 -3.942 -11.989 -1.984 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.428 -11.243 1.096 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.213 -12.070 2.045 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.866 -13.144 1.205 1.00 0.00 C ATOM 0 HA PRO A 90 -5.991 -10.365 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.453 -11.686 0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.248 -10.243 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.570 -12.507 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.960 -11.469 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.247 -14.039 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.828 -13.450 1.616 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.166 -9.767 -1.721 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.457 -9.438 -2.932 1.00 0.00 C ATOM 1454 C LYS A 91 -2.124 -8.804 -2.595 1.00 0.00 C ATOM 1455 O LYS A 91 -2.060 -7.874 -1.791 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.265 -8.471 -3.789 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.650 -8.250 -5.154 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.660 -9.530 -5.960 1.00 0.00 C ATOM 1459 CE LYS A 91 -5.048 -9.869 -6.476 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.067 -11.176 -7.182 1.00 0.00 N ATOM 0 H LYS A 91 -4.448 -8.960 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.299 -10.360 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.278 -8.856 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.347 -7.515 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.202 -7.475 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.626 -7.892 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.974 -9.433 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.293 -10.350 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.750 -9.895 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.386 -9.085 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.030 -11.374 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.416 -11.142 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.768 -11.928 -6.529 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.070 -9.311 -3.196 1.00 0.00 N ATOM 1475 CA ILE A 92 0.249 -8.737 -3.010 1.00 0.00 C ATOM 1476 C ILE A 92 0.767 -8.181 -4.322 1.00 0.00 C ATOM 1477 O ILE A 92 0.718 -8.844 -5.359 1.00 0.00 O ATOM 1478 CB ILE A 92 1.293 -9.747 -2.468 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.952 -10.222 -1.048 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.689 -9.135 -2.484 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.155 -11.246 -0.984 1.00 0.00 C ATOM 0 H ILE A 92 -1.098 -10.119 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 92 0.127 -7.950 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 92 1.269 -10.615 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.848 -10.644 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.667 -9.358 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.408 -9.859 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.956 -8.865 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.702 -8.243 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.332 -11.527 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.067 -10.823 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.133 -12.129 -1.554 1.00 0.00 H new ATOM 1493 N VAL A 93 1.252 -6.958 -4.263 1.00 0.00 N ATOM 1494 CA VAL A 93 1.934 -6.341 -5.380 1.00 0.00 C ATOM 1495 C VAL A 93 3.273 -5.808 -4.896 1.00 0.00 C ATOM 1496 O VAL A 93 3.344 -5.105 -3.890 1.00 0.00 O ATOM 1497 CB VAL A 93 1.100 -5.207 -6.019 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.878 -4.510 -7.127 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.209 -5.755 -6.562 1.00 0.00 C ATOM 0 H VAL A 93 1.184 -6.363 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 93 2.083 -7.093 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 93 0.882 -4.472 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.266 -3.717 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.791 -4.081 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.134 -5.233 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.785 -4.945 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.001 -6.512 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.781 -6.202 -5.749 1.00 0.00 H new ATOM 1509 N LYS A 94 4.325 -6.164 -5.603 1.00 0.00 N ATOM 1510 CA LYS A 94 5.667 -5.810 -5.182 1.00 0.00 C ATOM 1511 C LYS A 94 5.996 -4.389 -5.631 1.00 0.00 C ATOM 1512 O LYS A 94 5.540 -3.946 -6.686 1.00 0.00 O ATOM 1513 CB LYS A 94 6.681 -6.821 -5.725 1.00 0.00 C ATOM 1514 CG LYS A 94 7.502 -6.337 -6.903 1.00 0.00 C ATOM 1515 CD LYS A 94 8.655 -7.281 -7.149 1.00 0.00 C ATOM 1516 CE LYS A 94 9.816 -6.597 -7.851 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.913 -5.149 -7.525 1.00 0.00 N ATOM 0 H LYS A 94 4.278 -6.698 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 94 5.722 -5.841 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.360 -7.100 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.148 -7.725 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.876 -6.275 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.878 -5.333 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.997 -7.690 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.312 -8.122 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.746 -7.091 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.704 -6.716 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.731 -4.736 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.045 -4.665 -7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.031 -5.031 -6.498 1.00 0.00 H new ATOM 1531 N TRP A 95 6.778 -3.679 -4.829 1.00 0.00 N ATOM 1532 CA TRP A 95 7.134 -2.302 -5.130 1.00 0.00 C ATOM 1533 C TRP A 95 8.223 -2.277 -6.188 1.00 0.00 C ATOM 1534 O TRP A 95 9.243 -2.947 -6.045 1.00 0.00 O ATOM 1535 CB TRP A 95 7.639 -1.587 -3.866 1.00 0.00 C ATOM 1536 CG TRP A 95 8.051 -0.175 -4.118 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.240 0.856 -4.484 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.373 0.365 -4.023 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.974 2.003 -4.626 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.286 1.730 -4.349 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.622 -0.176 -3.696 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.398 2.563 -4.356 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.728 0.653 -3.703 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.609 2.014 -4.032 1.00 0.00 C ATOM 0 H TRP A 95 7.179 -4.037 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 95 6.247 -1.786 -5.498 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.854 -1.601 -3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.485 -2.139 -3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.174 0.780 -4.639 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.603 2.914 -4.895 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.720 -1.221 -3.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.310 3.609 -4.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.698 0.249 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.490 2.639 -4.029 1.00 0.00 H new