USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 56 SER OG : rot -140:sc=-0.00433 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 174:sc= -1.21 (180deg=-1.37) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -4.03! C(o=-13!,f=-8.8!) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.8! C(o=-8.8!,f=-14!) USER MOD Single : A 7 SER OG : rot -30:sc= 0.126 USER MOD Single : A 8 TYR OH : rot 1:sc= 0.884 USER MOD Single : A 13 THR OG1 : rot -89:sc= 1.7 USER MOD Single : A 14 MET CE :methyl -124:sc= 0 (180deg=-0.187) USER MOD Single : A 18 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6.1!) USER MOD Single : A 19 SER OG : rot -76:sc= 0.948 USER MOD Single : A 21 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 29:sc= 0.0985 USER MOD Single : A 27 SER OG : rot -130:sc= -1.22 USER MOD Single : A 30 CYS SG : rot -169:sc= -0.376 USER MOD Single : A 34 SER OG : rot -82:sc= 0.633 USER MOD Single : A 35 ASN : amide:sc= -0.0999 X(o=-0.1,f=-0.55) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 141:sc= -0.366! USER MOD Single : A 53 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-4.6!) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.08! C(o=-5.1!,f=-4.1!) USER MOD Single : A 58 ASN : amide:sc= -3.73! C(o=-3.7!,f=-6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -7.75! C(o=-7.8!,f=-13!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -3.93! C(o=-3.9!,f=-7.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 83 SER OG : rot -130:sc= -0.0415 USER MOD Single : A 86 MET CE :methyl 136:sc= -1.79 (180deg=-4.76!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -5.358 -10.780 -1.678 1.00 0.00 N ATOM 89 CA SER A 7 -6.645 -10.158 -1.417 1.00 0.00 C ATOM 90 C SER A 7 -6.978 -10.248 0.073 1.00 0.00 C ATOM 91 O SER A 7 -6.153 -10.691 0.871 1.00 0.00 O ATOM 92 CB SER A 7 -7.751 -10.811 -2.249 1.00 0.00 C ATOM 93 OG SER A 7 -7.654 -12.232 -2.243 1.00 0.00 O ATOM 0 HA SER A 7 -6.582 -9.109 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.723 -10.512 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.695 -10.448 -3.275 1.00 0.00 H new ATOM 0 HG SER A 7 -6.716 -12.495 -2.139 1.00 0.00 H new ATOM 99 N TYR A 8 -8.188 -9.822 0.404 1.00 0.00 N ATOM 100 CA TYR A 8 -8.640 -9.849 1.784 1.00 0.00 C ATOM 101 C TYR A 8 -9.127 -11.246 2.174 1.00 0.00 C ATOM 102 O TYR A 8 -8.754 -11.767 3.224 1.00 0.00 O ATOM 103 CB TYR A 8 -9.815 -8.872 1.863 1.00 0.00 C ATOM 104 CG TYR A 8 -9.426 -7.411 1.631 1.00 0.00 C ATOM 105 CD1 TYR A 8 -8.606 -6.763 2.534 1.00 0.00 C ATOM 106 CD2 TYR A 8 -9.894 -6.741 0.519 1.00 0.00 C ATOM 107 CE1 TYR A 8 -8.240 -5.388 2.315 1.00 0.00 C ATOM 108 CE2 TYR A 8 -9.528 -5.365 0.301 1.00 0.00 C ATOM 109 CZ TYR A 8 -8.719 -4.757 1.210 1.00 0.00 C ATOM 110 OH TYR A 8 -8.373 -3.458 1.003 1.00 0.00 O ATOM 0 H TYR A 8 -8.870 -9.456 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.827 -9.581 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.564 -9.160 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.283 -8.961 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.240 -7.288 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.534 -7.248 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.599 -4.869 3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.888 -4.828 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.775 -3.160 1.720 1.00 0.00 H new ATOM 120 N ILE A 9 -9.952 -11.814 1.307 1.00 0.00 N ATOM 121 CA ILE A 9 -10.494 -13.140 1.547 1.00 0.00 C ATOM 122 C ILE A 9 -9.406 -14.028 2.156 1.00 0.00 C ATOM 123 O ILE A 9 -9.696 -14.896 2.978 1.00 0.00 O ATOM 124 CB ILE A 9 -11.107 -13.709 0.266 1.00 0.00 C ATOM 125 CG1 ILE A 9 -12.175 -14.756 0.587 1.00 0.00 C ATOM 126 CG2 ILE A 9 -10.023 -14.262 -0.661 1.00 0.00 C ATOM 127 CD1 ILE A 9 -11.537 -16.103 0.933 1.00 0.00 C ATOM 0 H ILE A 9 -10.258 -11.379 0.437 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.309 -13.093 2.269 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.602 -12.897 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.785 -14.413 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.842 -14.874 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.485 -14.660 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.331 -13.463 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.479 -15.057 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.319 -16.829 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.947 -16.454 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.890 -15.987 1.802 1.00 0.00 H new ATOM 139 N ALA A 10 -8.177 -13.780 1.728 1.00 0.00 N ATOM 140 CA ALA A 10 -7.045 -14.546 2.220 1.00 0.00 C ATOM 141 C ALA A 10 -6.877 -14.293 3.720 1.00 0.00 C ATOM 142 O ALA A 10 -6.842 -15.234 4.512 1.00 0.00 O ATOM 143 CB ALA A 10 -5.793 -14.176 1.423 1.00 0.00 C ATOM 0 H ALA A 10 -7.940 -13.059 1.046 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.215 -15.614 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.944 -14.751 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.953 -14.402 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.589 -13.112 1.539 1.00 0.00 H new ATOM 149 N LEU A 11 -6.777 -13.018 4.065 1.00 0.00 N ATOM 150 CA LEU A 11 -6.614 -12.630 5.456 1.00 0.00 C ATOM 151 C LEU A 11 -7.807 -13.140 6.267 1.00 0.00 C ATOM 152 O LEU A 11 -7.676 -13.430 7.455 1.00 0.00 O ATOM 153 CB LEU A 11 -6.394 -11.120 5.568 1.00 0.00 C ATOM 154 CG LEU A 11 -5.045 -10.599 5.069 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.899 -11.127 5.934 1.00 0.00 C ATOM 156 CD2 LEU A 11 -4.844 -10.929 3.588 1.00 0.00 C ATOM 0 H LEU A 11 -6.806 -12.240 3.406 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.721 -13.091 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.184 -10.616 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.508 -10.833 6.613 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.043 -9.513 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.952 -10.742 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.040 -10.800 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.888 -12.216 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.878 -10.548 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.875 -12.010 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.637 -10.465 3.001 1.00 0.00 H new ATOM 168 N ILE A 12 -8.944 -13.233 5.593 1.00 0.00 N ATOM 169 CA ILE A 12 -10.159 -13.702 6.236 1.00 0.00 C ATOM 170 C ILE A 12 -9.993 -15.175 6.616 1.00 0.00 C ATOM 171 O ILE A 12 -10.224 -15.553 7.764 1.00 0.00 O ATOM 172 CB ILE A 12 -11.375 -13.430 5.348 1.00 0.00 C ATOM 173 CG1 ILE A 12 -11.605 -11.926 5.180 1.00 0.00 C ATOM 174 CG2 ILE A 12 -12.617 -14.143 5.885 1.00 0.00 C ATOM 175 CD1 ILE A 12 -11.431 -11.193 6.511 1.00 0.00 C ATOM 0 H ILE A 12 -9.049 -12.991 4.608 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.338 -13.151 7.159 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.173 -13.838 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.904 -11.527 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.608 -11.749 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.467 -13.933 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.437 -15.218 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.834 -13.787 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.600 -10.126 6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.150 -11.578 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.419 -11.352 6.884 1.00 0.00 H new ATOM 187 N THR A 13 -9.594 -15.966 5.631 1.00 0.00 N ATOM 188 CA THR A 13 -9.395 -17.389 5.848 1.00 0.00 C ATOM 189 C THR A 13 -8.474 -17.621 7.048 1.00 0.00 C ATOM 190 O THR A 13 -8.700 -18.534 7.841 1.00 0.00 O ATOM 191 CB THR A 13 -8.864 -17.996 4.548 1.00 0.00 C ATOM 192 OG1 THR A 13 -9.946 -17.855 3.632 1.00 0.00 O ATOM 193 CG2 THR A 13 -8.656 -19.508 4.650 1.00 0.00 C ATOM 0 H THR A 13 -9.403 -15.649 4.681 1.00 0.00 H new ATOM 0 HA THR A 13 -10.333 -17.887 6.096 1.00 0.00 H new ATOM 0 HB THR A 13 -7.921 -17.517 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.529 -18.640 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.278 -19.888 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.936 -19.724 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.605 -19.991 4.882 1.00 0.00 H new ATOM 201 N MET A 14 -7.454 -16.780 7.142 1.00 0.00 N ATOM 202 CA MET A 14 -6.498 -16.883 8.231 1.00 0.00 C ATOM 203 C MET A 14 -7.053 -16.251 9.510 1.00 0.00 C ATOM 204 O MET A 14 -6.609 -16.574 10.610 1.00 0.00 O ATOM 205 CB MET A 14 -5.198 -16.180 7.837 1.00 0.00 C ATOM 206 CG MET A 14 -3.982 -16.918 8.401 1.00 0.00 C ATOM 207 SD MET A 14 -2.483 -16.063 7.946 1.00 0.00 S ATOM 208 CE MET A 14 -2.523 -14.721 9.123 1.00 0.00 C ATOM 0 H MET A 14 -7.269 -16.025 6.482 1.00 0.00 H new ATOM 0 HA MET A 14 -6.307 -17.939 8.423 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.124 -16.127 6.751 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.209 -15.154 8.206 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.058 -16.984 9.486 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.958 -17.939 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.478 -13.770 8.592 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.446 -14.771 9.700 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.669 -14.802 9.796 1.00 0.00 H new ATOM 218 N ALA A 15 -8.017 -15.361 9.321 1.00 0.00 N ATOM 219 CA ALA A 15 -8.637 -14.680 10.446 1.00 0.00 C ATOM 220 C ALA A 15 -9.575 -15.650 11.168 1.00 0.00 C ATOM 221 O ALA A 15 -9.679 -15.621 12.393 1.00 0.00 O ATOM 222 CB ALA A 15 -9.363 -13.429 9.948 1.00 0.00 C ATOM 0 H ALA A 15 -8.384 -15.096 8.407 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.882 -14.355 11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.828 -12.918 10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.648 -12.760 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.131 -13.716 9.229 1.00 0.00 H new ATOM 228 N ILE A 16 -10.233 -16.485 10.378 1.00 0.00 N ATOM 229 CA ILE A 16 -11.159 -17.461 10.927 1.00 0.00 C ATOM 230 C ILE A 16 -10.375 -18.677 11.426 1.00 0.00 C ATOM 231 O ILE A 16 -10.716 -19.262 12.453 1.00 0.00 O ATOM 232 CB ILE A 16 -12.243 -17.806 9.905 1.00 0.00 C ATOM 233 CG1 ILE A 16 -13.188 -16.622 9.687 1.00 0.00 C ATOM 234 CG2 ILE A 16 -12.998 -19.073 10.311 1.00 0.00 C ATOM 235 CD1 ILE A 16 -13.932 -16.270 10.976 1.00 0.00 C ATOM 0 H ILE A 16 -10.143 -16.506 9.362 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.685 -17.045 11.786 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.758 -18.012 8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.620 -15.758 9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.906 -16.864 8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.763 -19.295 9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.300 -19.908 10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.470 -18.920 11.282 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.597 -15.426 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.518 -17.129 11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.212 -16.005 11.751 1.00 0.00 H new ATOM 247 N LEU A 17 -9.339 -19.022 10.674 1.00 0.00 N ATOM 248 CA LEU A 17 -8.504 -20.158 11.027 1.00 0.00 C ATOM 249 C LEU A 17 -7.712 -19.829 12.293 1.00 0.00 C ATOM 250 O LEU A 17 -7.734 -20.590 13.259 1.00 0.00 O ATOM 251 CB LEU A 17 -7.628 -20.566 9.842 1.00 0.00 C ATOM 252 CG LEU A 17 -8.227 -21.604 8.890 1.00 0.00 C ATOM 253 CD1 LEU A 17 -8.282 -22.984 9.549 1.00 0.00 C ATOM 254 CD2 LEU A 17 -9.599 -21.155 8.383 1.00 0.00 C ATOM 0 H LEU A 17 -9.059 -18.535 9.823 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.120 -21.028 11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.389 -19.671 9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.687 -20.957 10.229 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.575 -21.688 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.712 -23.703 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.274 -23.298 9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.900 -22.935 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.003 -21.910 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.275 -21.025 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.498 -20.209 7.850 1.00 0.00 H new ATOM 266 N GLN A 18 -7.030 -18.694 12.248 1.00 0.00 N ATOM 267 CA GLN A 18 -6.231 -18.255 13.380 1.00 0.00 C ATOM 268 C GLN A 18 -7.065 -18.287 14.662 1.00 0.00 C ATOM 269 O GLN A 18 -6.520 -18.404 15.759 1.00 0.00 O ATOM 270 CB GLN A 18 -5.655 -16.858 13.136 1.00 0.00 C ATOM 271 CG GLN A 18 -6.765 -15.805 13.107 1.00 0.00 C ATOM 272 CD GLN A 18 -7.007 -15.225 14.503 1.00 0.00 C ATOM 273 OE1 GLN A 18 -6.753 -15.854 15.517 1.00 0.00 O ATOM 274 NE2 GLN A 18 -7.510 -13.994 14.497 1.00 0.00 N ATOM 0 H GLN A 18 -7.014 -18.065 11.445 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.393 -18.942 13.497 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.938 -16.614 13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.111 -16.845 12.191 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.494 -15.005 12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.685 -16.252 12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.699 -13.525 13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.707 -13.519 15.378 1.00 0.00 H new ATOM 283 N SER A 19 -8.374 -18.183 14.482 1.00 0.00 N ATOM 284 CA SER A 19 -9.288 -18.199 15.611 1.00 0.00 C ATOM 285 C SER A 19 -10.252 -19.381 15.487 1.00 0.00 C ATOM 286 O SER A 19 -11.424 -19.200 15.162 1.00 0.00 O ATOM 287 CB SER A 19 -10.069 -16.886 15.707 1.00 0.00 C ATOM 288 OG SER A 19 -10.660 -16.524 14.462 1.00 0.00 O ATOM 0 H SER A 19 -8.823 -18.087 13.571 1.00 0.00 H new ATOM 0 HA SER A 19 -8.702 -18.310 16.523 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.848 -16.982 16.464 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.401 -16.090 16.036 1.00 0.00 H new ATOM 0 HG SER A 19 -9.971 -16.165 13.865 1.00 0.00 H new ATOM 294 N PRO A 20 -9.707 -20.597 15.759 1.00 0.00 N ATOM 295 CA PRO A 20 -10.506 -21.809 15.681 1.00 0.00 C ATOM 296 C PRO A 20 -11.447 -21.923 16.882 1.00 0.00 C ATOM 297 O PRO A 20 -11.626 -23.007 17.435 1.00 0.00 O ATOM 298 CB PRO A 20 -9.495 -22.942 15.609 1.00 0.00 C ATOM 299 CG PRO A 20 -8.184 -22.363 16.116 1.00 0.00 C ATOM 300 CD PRO A 20 -8.323 -20.850 16.147 1.00 0.00 C ATOM 0 HA PRO A 20 -11.164 -21.824 14.812 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.811 -23.787 16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.391 -23.309 14.588 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.957 -22.746 17.111 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.360 -22.657 15.466 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.111 -20.453 17.140 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.625 -20.374 15.458 1.00 0.00 H new ATOM 308 N GLN A 21 -12.025 -20.789 17.250 1.00 0.00 N ATOM 309 CA GLN A 21 -12.944 -20.748 18.375 1.00 0.00 C ATOM 310 C GLN A 21 -14.322 -20.267 17.917 1.00 0.00 C ATOM 311 O GLN A 21 -15.304 -20.399 18.647 1.00 0.00 O ATOM 312 CB GLN A 21 -12.398 -19.863 19.497 1.00 0.00 C ATOM 313 CG GLN A 21 -13.072 -20.191 20.831 1.00 0.00 C ATOM 314 CD GLN A 21 -12.067 -20.782 21.822 1.00 0.00 C ATOM 315 OE1 GLN A 21 -11.035 -21.319 21.453 1.00 0.00 O ATOM 316 NE2 GLN A 21 -12.424 -20.655 23.096 1.00 0.00 N ATOM 0 H GLN A 21 -11.875 -19.892 16.789 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.047 -21.758 18.772 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.321 -20.005 19.585 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.563 -18.814 19.250 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.514 -19.288 21.251 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.886 -20.898 20.667 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.302 -20.194 23.336 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.820 -21.018 23.833 1.00 0.00 H new ATOM 325 N LYS A 22 -14.352 -19.717 16.712 1.00 0.00 N ATOM 326 CA LYS A 22 -15.593 -19.215 16.149 1.00 0.00 C ATOM 327 C LYS A 22 -16.064 -18.006 16.959 1.00 0.00 C ATOM 328 O LYS A 22 -17.144 -18.030 17.546 1.00 0.00 O ATOM 329 CB LYS A 22 -16.631 -20.335 16.056 1.00 0.00 C ATOM 330 CG LYS A 22 -16.327 -21.270 14.884 1.00 0.00 C ATOM 331 CD LYS A 22 -16.020 -22.686 15.376 1.00 0.00 C ATOM 332 CE LYS A 22 -15.136 -23.434 14.377 1.00 0.00 C ATOM 333 NZ LYS A 22 -13.749 -23.532 14.884 1.00 0.00 N ATOM 0 H LYS A 22 -13.536 -19.608 16.110 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.436 -18.872 15.126 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.642 -20.904 16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.625 -19.905 15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.178 -21.294 14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.478 -20.886 14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.521 -22.638 16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.951 -23.233 15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.537 -24.432 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.143 -22.917 13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.162 -24.043 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.363 -22.577 15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.745 -24.046 15.788 1.00 0.00 H new ATOM 347 N LYS A 23 -15.229 -16.977 16.965 1.00 0.00 N ATOM 348 CA LYS A 23 -15.546 -15.760 17.694 1.00 0.00 C ATOM 349 C LYS A 23 -14.405 -14.756 17.523 1.00 0.00 C ATOM 350 O LYS A 23 -13.345 -14.907 18.129 1.00 0.00 O ATOM 351 CB LYS A 23 -15.871 -16.080 19.154 1.00 0.00 C ATOM 352 CG LYS A 23 -17.083 -15.279 19.635 1.00 0.00 C ATOM 353 CD LYS A 23 -16.724 -14.414 20.844 1.00 0.00 C ATOM 354 CE LYS A 23 -17.601 -14.764 22.048 1.00 0.00 C ATOM 355 NZ LYS A 23 -18.946 -14.164 21.903 1.00 0.00 N ATOM 0 H LYS A 23 -14.334 -16.961 16.477 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.443 -15.294 17.287 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.070 -17.146 19.261 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.009 -15.853 19.780 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.449 -14.646 18.827 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.892 -15.960 19.898 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.674 -14.558 21.100 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.849 -13.361 20.592 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.688 -15.847 22.140 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.132 -14.403 22.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.528 -14.412 22.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.860 -13.130 21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.397 -14.528 21.040 1.00 0.00 H new ATOM 369 N LEU A 24 -14.660 -13.754 16.695 1.00 0.00 N ATOM 370 CA LEU A 24 -13.667 -12.725 16.436 1.00 0.00 C ATOM 371 C LEU A 24 -14.375 -11.399 16.153 1.00 0.00 C ATOM 372 O LEU A 24 -15.580 -11.374 15.910 1.00 0.00 O ATOM 373 CB LEU A 24 -12.716 -13.166 15.321 1.00 0.00 C ATOM 374 CG LEU A 24 -13.372 -13.538 13.990 1.00 0.00 C ATOM 375 CD1 LEU A 24 -12.467 -13.170 12.812 1.00 0.00 C ATOM 376 CD2 LEU A 24 -13.768 -15.016 13.968 1.00 0.00 C ATOM 0 H LEU A 24 -15.540 -13.633 16.194 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.040 -12.571 17.314 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.002 -12.362 15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.146 -14.025 15.675 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.289 -12.957 13.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.956 -13.445 11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.277 -12.097 12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.522 -13.706 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.232 -15.254 13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.880 -15.633 14.104 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.475 -15.215 14.773 1.00 0.00 H new ATOM 388 N THR A 25 -13.595 -10.328 16.192 1.00 0.00 N ATOM 389 CA THR A 25 -14.132 -9.002 15.942 1.00 0.00 C ATOM 390 C THR A 25 -13.529 -8.414 14.665 1.00 0.00 C ATOM 391 O THR A 25 -12.316 -8.458 14.469 1.00 0.00 O ATOM 392 CB THR A 25 -13.875 -8.146 17.184 1.00 0.00 C ATOM 393 OG1 THR A 25 -12.455 -8.119 17.300 1.00 0.00 O ATOM 394 CG2 THR A 25 -14.341 -8.828 18.472 1.00 0.00 C ATOM 0 H THR A 25 -12.595 -10.352 16.393 1.00 0.00 H new ATOM 0 HA THR A 25 -15.208 -9.038 15.770 1.00 0.00 H new ATOM 0 HB THR A 25 -14.384 -7.188 17.076 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.052 -8.208 16.411 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.135 -8.178 19.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.412 -9.022 18.414 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.808 -9.770 18.598 1.00 0.00 H new ATOM 402 N LEU A 26 -14.405 -7.878 13.827 1.00 0.00 N ATOM 403 CA LEU A 26 -13.975 -7.283 12.574 1.00 0.00 C ATOM 404 C LEU A 26 -12.879 -6.253 12.853 1.00 0.00 C ATOM 405 O LEU A 26 -11.862 -6.220 12.161 1.00 0.00 O ATOM 406 CB LEU A 26 -15.173 -6.714 11.811 1.00 0.00 C ATOM 407 CG LEU A 26 -15.279 -5.189 11.770 1.00 0.00 C ATOM 408 CD1 LEU A 26 -14.414 -4.609 10.649 1.00 0.00 C ATOM 409 CD2 LEU A 26 -16.739 -4.743 11.655 1.00 0.00 C ATOM 0 H LEU A 26 -15.411 -7.844 13.992 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.542 -8.041 11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.134 -7.083 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -16.085 -7.110 12.258 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.895 -4.795 12.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.508 -3.523 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.372 -4.882 10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.745 -5.008 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.786 -3.654 11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.172 -5.148 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.300 -5.109 12.515 1.00 0.00 H new ATOM 421 N SER A 27 -13.123 -5.437 13.868 1.00 0.00 N ATOM 422 CA SER A 27 -12.169 -4.408 14.247 1.00 0.00 C ATOM 423 C SER A 27 -10.828 -5.047 14.612 1.00 0.00 C ATOM 424 O SER A 27 -9.794 -4.696 14.045 1.00 0.00 O ATOM 425 CB SER A 27 -12.695 -3.574 15.417 1.00 0.00 C ATOM 426 OG SER A 27 -11.844 -2.469 15.710 1.00 0.00 O ATOM 0 H SER A 27 -13.967 -5.467 14.440 1.00 0.00 H new ATOM 0 HA SER A 27 -12.027 -3.742 13.396 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.695 -3.209 15.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.786 -4.206 16.301 1.00 0.00 H new ATOM 0 HG SER A 27 -11.646 -2.454 16.670 1.00 0.00 H new ATOM 432 N GLY A 28 -10.888 -5.975 15.556 1.00 0.00 N ATOM 433 CA GLY A 28 -9.690 -6.666 16.003 1.00 0.00 C ATOM 434 C GLY A 28 -8.974 -7.337 14.829 1.00 0.00 C ATOM 435 O GLY A 28 -7.747 -7.423 14.813 1.00 0.00 O ATOM 0 H GLY A 28 -11.747 -6.264 16.024 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.017 -5.958 16.488 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.955 -7.416 16.749 1.00 0.00 H new ATOM 439 N ILE A 29 -9.771 -7.795 13.875 1.00 0.00 N ATOM 440 CA ILE A 29 -9.228 -8.456 12.700 1.00 0.00 C ATOM 441 C ILE A 29 -8.451 -7.439 11.862 1.00 0.00 C ATOM 442 O ILE A 29 -7.294 -7.669 11.516 1.00 0.00 O ATOM 443 CB ILE A 29 -10.338 -9.171 11.927 1.00 0.00 C ATOM 444 CG1 ILE A 29 -10.317 -10.676 12.202 1.00 0.00 C ATOM 445 CG2 ILE A 29 -10.252 -8.859 10.431 1.00 0.00 C ATOM 446 CD1 ILE A 29 -10.473 -10.962 13.696 1.00 0.00 C ATOM 0 H ILE A 29 -10.788 -7.722 13.891 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.523 -9.234 12.992 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.298 -8.794 12.280 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.121 -11.162 11.649 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.380 -11.102 11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.052 -9.379 9.904 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.355 -7.785 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.288 -9.190 10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.455 -12.039 13.864 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.654 -10.495 14.243 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.422 -10.556 14.047 1.00 0.00 H new ATOM 458 N CYS A 30 -9.119 -6.335 11.560 1.00 0.00 N ATOM 459 CA CYS A 30 -8.506 -5.282 10.769 1.00 0.00 C ATOM 460 C CYS A 30 -7.190 -4.882 11.439 1.00 0.00 C ATOM 461 O CYS A 30 -6.229 -4.520 10.761 1.00 0.00 O ATOM 462 CB CYS A 30 -9.444 -4.086 10.594 1.00 0.00 C ATOM 463 SG CYS A 30 -8.721 -2.890 9.413 1.00 0.00 S ATOM 0 H CYS A 30 -10.079 -6.147 11.849 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.303 -5.651 9.763 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.415 -4.425 10.232 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.613 -3.602 11.556 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.396 -1.779 9.452 1.00 0.00 H new ATOM 469 N GLU A 31 -7.189 -4.961 12.761 1.00 0.00 N ATOM 470 CA GLU A 31 -6.006 -4.612 13.531 1.00 0.00 C ATOM 471 C GLU A 31 -4.955 -5.718 13.419 1.00 0.00 C ATOM 472 O GLU A 31 -3.756 -5.442 13.423 1.00 0.00 O ATOM 473 CB GLU A 31 -6.364 -4.341 14.993 1.00 0.00 C ATOM 474 CG GLU A 31 -5.162 -3.784 15.758 1.00 0.00 C ATOM 475 CD GLU A 31 -5.514 -2.465 16.448 1.00 0.00 C ATOM 476 OE1 GLU A 31 -6.213 -2.534 17.482 1.00 0.00 O ATOM 477 OE2 GLU A 31 -5.078 -1.416 15.926 1.00 0.00 O ATOM 0 H GLU A 31 -7.988 -5.261 13.319 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.585 -3.695 13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.191 -3.633 15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.704 -5.263 15.465 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.831 -4.510 16.501 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.330 -3.628 15.071 1.00 0.00 H new ATOM 484 N PHE A 32 -5.442 -6.946 13.322 1.00 0.00 N ATOM 485 CA PHE A 32 -4.559 -8.095 13.210 1.00 0.00 C ATOM 486 C PHE A 32 -3.867 -8.122 11.846 1.00 0.00 C ATOM 487 O PHE A 32 -2.722 -8.559 11.736 1.00 0.00 O ATOM 488 CB PHE A 32 -5.431 -9.344 13.351 1.00 0.00 C ATOM 489 CG PHE A 32 -5.335 -10.307 12.166 1.00 0.00 C ATOM 490 CD1 PHE A 32 -4.159 -10.931 11.889 1.00 0.00 C ATOM 491 CD2 PHE A 32 -6.427 -10.538 11.388 1.00 0.00 C ATOM 492 CE1 PHE A 32 -4.071 -11.824 10.789 1.00 0.00 C ATOM 493 CE2 PHE A 32 -6.339 -11.432 10.288 1.00 0.00 C ATOM 494 CZ PHE A 32 -5.162 -12.056 10.012 1.00 0.00 C ATOM 0 H PHE A 32 -6.437 -7.171 13.319 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.787 -8.049 13.979 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.145 -9.873 14.260 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.470 -9.037 13.474 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.292 -10.747 12.506 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.361 -10.041 11.607 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.137 -12.319 10.569 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.206 -11.616 9.671 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.094 -12.736 9.175 1.00 0.00 H new ATOM 504 N ILE A 33 -4.589 -7.650 10.841 1.00 0.00 N ATOM 505 CA ILE A 33 -4.059 -7.615 9.489 1.00 0.00 C ATOM 506 C ILE A 33 -3.056 -6.466 9.369 1.00 0.00 C ATOM 507 O ILE A 33 -1.893 -6.684 9.035 1.00 0.00 O ATOM 508 CB ILE A 33 -5.196 -7.548 8.468 1.00 0.00 C ATOM 509 CG1 ILE A 33 -5.749 -8.943 8.170 1.00 0.00 C ATOM 510 CG2 ILE A 33 -4.750 -6.824 7.196 1.00 0.00 C ATOM 511 CD1 ILE A 33 -7.222 -8.874 7.763 1.00 0.00 C ATOM 0 H ILE A 33 -5.538 -7.288 10.936 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.518 -8.535 9.268 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.009 -6.965 8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.169 -9.405 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.641 -9.577 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.577 -6.791 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.444 -5.808 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.911 -7.357 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.590 -9.879 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.803 -8.434 8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.324 -8.260 6.868 1.00 0.00 H new ATOM 523 N SER A 34 -3.544 -5.266 9.647 1.00 0.00 N ATOM 524 CA SER A 34 -2.705 -4.081 9.575 1.00 0.00 C ATOM 525 C SER A 34 -1.369 -4.343 10.272 1.00 0.00 C ATOM 526 O SER A 34 -0.339 -3.800 9.874 1.00 0.00 O ATOM 527 CB SER A 34 -3.403 -2.873 10.201 1.00 0.00 C ATOM 528 OG SER A 34 -3.994 -3.190 11.459 1.00 0.00 O ATOM 0 H SER A 34 -4.510 -5.088 9.923 1.00 0.00 H new ATOM 0 HA SER A 34 -2.521 -3.855 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.682 -2.066 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.172 -2.506 9.521 1.00 0.00 H new ATOM 0 HG SER A 34 -4.867 -3.611 11.314 1.00 0.00 H new ATOM 534 N ASN A 35 -1.428 -5.175 11.302 1.00 0.00 N ATOM 535 CA ASN A 35 -0.235 -5.516 12.058 1.00 0.00 C ATOM 536 C ASN A 35 0.811 -6.110 11.113 1.00 0.00 C ATOM 537 O ASN A 35 2.005 -5.857 11.265 1.00 0.00 O ATOM 538 CB ASN A 35 -0.545 -6.557 13.136 1.00 0.00 C ATOM 539 CG ASN A 35 -0.241 -6.008 14.532 1.00 0.00 C ATOM 540 OD1 ASN A 35 -0.426 -4.837 14.820 1.00 0.00 O ATOM 541 ND2 ASN A 35 0.234 -6.917 15.379 1.00 0.00 N ATOM 0 H ASN A 35 -2.284 -5.623 11.630 1.00 0.00 H new ATOM 0 HA ASN A 35 0.136 -4.607 12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.594 -6.847 13.076 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.045 -7.456 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.468 -6.650 16.335 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.365 -7.881 15.072 1.00 0.00 H new ATOM 548 N ARG A 36 0.324 -6.890 10.159 1.00 0.00 N ATOM 549 CA ARG A 36 1.202 -7.523 9.189 1.00 0.00 C ATOM 550 C ARG A 36 1.661 -6.504 8.144 1.00 0.00 C ATOM 551 O ARG A 36 2.808 -6.538 7.701 1.00 0.00 O ATOM 552 CB ARG A 36 0.498 -8.684 8.485 1.00 0.00 C ATOM 553 CG ARG A 36 -0.059 -9.685 9.500 1.00 0.00 C ATOM 554 CD ARG A 36 1.050 -10.219 10.409 1.00 0.00 C ATOM 555 NE ARG A 36 1.091 -11.697 10.342 1.00 0.00 N ATOM 556 CZ ARG A 36 1.887 -12.389 9.516 1.00 0.00 C ATOM 557 NH1 ARG A 36 2.712 -11.742 8.681 1.00 0.00 N ATOM 558 NH2 ARG A 36 1.857 -13.729 9.524 1.00 0.00 N ATOM 0 H ARG A 36 -0.667 -7.098 10.037 1.00 0.00 H new ATOM 0 HA ARG A 36 2.067 -7.910 9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.312 -8.300 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.198 -9.188 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.830 -9.206 10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.535 -10.514 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.012 -9.806 10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.876 -9.898 11.436 1.00 0.00 H new ATOM 0 HE ARG A 36 0.475 -12.221 10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.734 -10.722 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.318 -12.269 8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.228 -14.221 10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.463 -14.256 8.895 1.00 0.00 H new ATOM 572 N PHE A 37 0.741 -5.622 7.781 1.00 0.00 N ATOM 573 CA PHE A 37 1.037 -4.595 6.796 1.00 0.00 C ATOM 574 C PHE A 37 0.720 -3.203 7.344 1.00 0.00 C ATOM 575 O PHE A 37 -0.446 -2.844 7.501 1.00 0.00 O ATOM 576 CB PHE A 37 0.144 -4.868 5.584 1.00 0.00 C ATOM 577 CG PHE A 37 -0.347 -6.314 5.486 1.00 0.00 C ATOM 578 CD1 PHE A 37 -1.392 -6.730 6.251 1.00 0.00 C ATOM 579 CD2 PHE A 37 0.260 -7.183 4.633 1.00 0.00 C ATOM 580 CE1 PHE A 37 -1.848 -8.072 6.160 1.00 0.00 C ATOM 581 CE2 PHE A 37 -0.197 -8.524 4.542 1.00 0.00 C ATOM 582 CZ PHE A 37 -1.241 -8.940 5.308 1.00 0.00 C ATOM 0 H PHE A 37 -0.209 -5.597 8.151 1.00 0.00 H new ATOM 0 HA PHE A 37 2.095 -4.622 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.719 -4.204 5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.695 -4.620 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.875 -6.040 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.089 -6.853 4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.677 -8.403 6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.284 -9.214 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.588 -9.960 5.239 1.00 0.00 H new ATOM 592 N PRO A 38 1.807 -2.436 7.628 1.00 0.00 N ATOM 593 CA PRO A 38 1.656 -1.090 8.155 1.00 0.00 C ATOM 594 C PRO A 38 1.213 -0.118 7.059 1.00 0.00 C ATOM 595 O PRO A 38 0.647 0.934 7.350 1.00 0.00 O ATOM 596 CB PRO A 38 3.015 -0.744 8.743 1.00 0.00 C ATOM 597 CG PRO A 38 4.000 -1.715 8.115 1.00 0.00 C ATOM 598 CD PRO A 38 3.202 -2.828 7.455 1.00 0.00 C ATOM 0 HA PRO A 38 0.878 -1.020 8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.286 0.288 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.007 -0.843 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.623 -1.205 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.669 -2.123 8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.458 -2.927 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.404 -3.791 7.923 1.00 0.00 H new ATOM 606 N TYR A 39 1.489 -0.506 5.823 1.00 0.00 N ATOM 607 CA TYR A 39 1.126 0.318 4.682 1.00 0.00 C ATOM 608 C TYR A 39 -0.389 0.317 4.464 1.00 0.00 C ATOM 609 O TYR A 39 -0.971 1.344 4.120 1.00 0.00 O ATOM 610 CB TYR A 39 1.804 -0.320 3.468 1.00 0.00 C ATOM 611 CG TYR A 39 3.260 0.107 3.273 1.00 0.00 C ATOM 612 CD1 TYR A 39 3.609 1.439 3.377 1.00 0.00 C ATOM 613 CD2 TYR A 39 4.225 -0.839 2.994 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.979 1.841 3.194 1.00 0.00 C ATOM 615 CE2 TYR A 39 5.596 -0.437 2.810 1.00 0.00 C ATOM 616 CZ TYR A 39 5.905 0.883 2.919 1.00 0.00 C ATOM 617 OH TYR A 39 7.199 1.262 2.746 1.00 0.00 O ATOM 0 H TYR A 39 1.959 -1.379 5.586 1.00 0.00 H new ATOM 0 HA TYR A 39 1.437 1.351 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.765 -1.404 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.238 -0.064 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.854 2.179 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.952 -1.881 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.265 2.879 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.361 -1.167 2.591 1.00 0.00 H new ATOM 0 HH TYR A 39 7.749 0.473 2.557 1.00 0.00 H new ATOM 627 N TYR A 40 -0.984 -0.849 4.674 1.00 0.00 N ATOM 628 CA TYR A 40 -2.419 -0.997 4.505 1.00 0.00 C ATOM 629 C TYR A 40 -3.181 -0.042 5.426 1.00 0.00 C ATOM 630 O TYR A 40 -4.132 0.611 4.999 1.00 0.00 O ATOM 631 CB TYR A 40 -2.743 -2.439 4.904 1.00 0.00 C ATOM 632 CG TYR A 40 -2.726 -3.426 3.735 1.00 0.00 C ATOM 633 CD1 TYR A 40 -2.571 -2.965 2.444 1.00 0.00 C ATOM 634 CD2 TYR A 40 -2.866 -4.778 3.973 1.00 0.00 C ATOM 635 CE1 TYR A 40 -2.555 -3.894 1.344 1.00 0.00 C ATOM 636 CE2 TYR A 40 -2.849 -5.708 2.873 1.00 0.00 C ATOM 637 CZ TYR A 40 -2.695 -5.220 1.613 1.00 0.00 C ATOM 638 OH TYR A 40 -2.679 -6.098 0.574 1.00 0.00 O ATOM 0 H TYR A 40 -0.498 -1.699 4.959 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.711 -0.771 3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.024 -2.768 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.727 -2.463 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.462 -1.907 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.988 -5.139 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.435 -3.546 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.956 -6.769 3.045 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.788 -7.010 0.915 1.00 0.00 H new ATOM 648 N ARG A 41 -2.736 0.008 6.673 1.00 0.00 N ATOM 649 CA ARG A 41 -3.364 0.873 7.657 1.00 0.00 C ATOM 650 C ARG A 41 -3.061 2.340 7.346 1.00 0.00 C ATOM 651 O ARG A 41 -3.635 3.239 7.958 1.00 0.00 O ATOM 652 CB ARG A 41 -2.874 0.546 9.070 1.00 0.00 C ATOM 653 CG ARG A 41 -1.350 0.648 9.158 1.00 0.00 C ATOM 654 CD ARG A 41 -0.865 0.390 10.586 1.00 0.00 C ATOM 655 NE ARG A 41 0.097 1.439 10.991 1.00 0.00 N ATOM 656 CZ ARG A 41 -0.258 2.624 11.507 1.00 0.00 C ATOM 657 NH1 ARG A 41 -1.553 2.918 11.683 1.00 0.00 N ATOM 658 NH2 ARG A 41 0.684 3.516 11.846 1.00 0.00 N ATOM 0 H ARG A 41 -1.948 -0.536 7.024 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.440 0.703 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.330 1.231 9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.191 -0.460 9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.894 -0.073 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.029 1.638 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.713 0.379 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.393 -0.591 10.647 1.00 0.00 H new ATOM 0 HE ARG A 41 1.092 1.248 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.270 2.240 11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.822 3.820 12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.670 3.293 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.415 4.418 12.239 1.00 0.00 H new ATOM 672 N GLU A 42 -2.160 2.536 6.395 1.00 0.00 N ATOM 673 CA GLU A 42 -1.774 3.879 5.995 1.00 0.00 C ATOM 674 C GLU A 42 -2.796 4.454 5.012 1.00 0.00 C ATOM 675 O GLU A 42 -3.294 5.561 5.206 1.00 0.00 O ATOM 676 CB GLU A 42 -0.368 3.888 5.393 1.00 0.00 C ATOM 677 CG GLU A 42 0.250 5.286 5.466 1.00 0.00 C ATOM 678 CD GLU A 42 1.718 5.260 5.036 1.00 0.00 C ATOM 679 OE1 GLU A 42 2.006 4.559 4.043 1.00 0.00 O ATOM 680 OE2 GLU A 42 2.520 5.941 5.711 1.00 0.00 O ATOM 0 H GLU A 42 -1.686 1.788 5.890 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.757 4.512 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.265 3.178 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.411 3.559 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.308 5.968 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.172 5.669 6.483 1.00 0.00 H new ATOM 687 N LYS A 43 -3.077 3.675 3.977 1.00 0.00 N ATOM 688 CA LYS A 43 -4.030 4.093 2.963 1.00 0.00 C ATOM 689 C LYS A 43 -5.452 3.885 3.489 1.00 0.00 C ATOM 690 O LYS A 43 -6.259 4.813 3.490 1.00 0.00 O ATOM 691 CB LYS A 43 -3.753 3.377 1.640 1.00 0.00 C ATOM 692 CG LYS A 43 -3.829 4.352 0.463 1.00 0.00 C ATOM 693 CD LYS A 43 -2.464 4.987 0.187 1.00 0.00 C ATOM 694 CE LYS A 43 -2.246 5.188 -1.313 1.00 0.00 C ATOM 695 NZ LYS A 43 -1.874 6.592 -1.599 1.00 0.00 N ATOM 0 H LYS A 43 -2.661 2.757 3.819 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.920 5.157 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.766 2.916 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.476 2.574 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.176 3.827 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.560 5.132 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.395 5.946 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.675 4.352 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.461 4.519 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.154 4.928 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.730 6.711 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.636 7.225 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.995 6.828 -1.096 1.00 0.00 H new ATOM 709 N PHE A 44 -5.715 2.661 3.923 1.00 0.00 N ATOM 710 CA PHE A 44 -7.025 2.319 4.450 1.00 0.00 C ATOM 711 C PHE A 44 -8.107 3.225 3.859 1.00 0.00 C ATOM 712 O PHE A 44 -8.728 4.006 4.577 1.00 0.00 O ATOM 713 CB PHE A 44 -6.968 2.534 5.964 1.00 0.00 C ATOM 714 CG PHE A 44 -7.983 1.701 6.749 1.00 0.00 C ATOM 715 CD1 PHE A 44 -9.290 1.690 6.372 1.00 0.00 C ATOM 716 CD2 PHE A 44 -7.579 0.971 7.823 1.00 0.00 C ATOM 717 CE1 PHE A 44 -10.233 0.917 7.101 1.00 0.00 C ATOM 718 CE2 PHE A 44 -8.521 0.198 8.552 1.00 0.00 C ATOM 719 CZ PHE A 44 -9.828 0.187 8.175 1.00 0.00 C ATOM 0 H PHE A 44 -5.043 1.894 3.920 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.272 1.289 4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.965 2.294 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.137 3.589 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.611 2.269 5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.541 0.979 8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.271 0.909 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.200 -0.381 9.405 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.544 -0.402 8.729 1.00 0.00 H new ATOM 729 N PRO A 45 -8.305 3.086 2.520 1.00 0.00 N ATOM 730 CA PRO A 45 -9.301 3.882 1.824 1.00 0.00 C ATOM 731 C PRO A 45 -10.713 3.374 2.121 1.00 0.00 C ATOM 732 O PRO A 45 -11.683 4.123 2.006 1.00 0.00 O ATOM 733 CB PRO A 45 -8.929 3.780 0.354 1.00 0.00 C ATOM 734 CG PRO A 45 -8.026 2.563 0.236 1.00 0.00 C ATOM 735 CD PRO A 45 -7.587 2.171 1.638 1.00 0.00 C ATOM 0 HA PRO A 45 -9.309 4.923 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.818 3.668 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.416 4.681 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.556 1.739 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.160 2.789 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.837 1.133 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.508 2.270 1.758 1.00 0.00 H new ATOM 743 N ALA A 46 -10.785 2.105 2.495 1.00 0.00 N ATOM 744 CA ALA A 46 -12.063 1.489 2.808 1.00 0.00 C ATOM 745 C ALA A 46 -11.833 0.037 3.235 1.00 0.00 C ATOM 746 O ALA A 46 -12.514 -0.869 2.757 1.00 0.00 O ATOM 747 CB ALA A 46 -12.994 1.601 1.600 1.00 0.00 C ATOM 0 H ALA A 46 -9.979 1.487 2.588 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.545 2.005 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.953 1.139 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.148 2.652 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.546 1.092 0.747 1.00 0.00 H new ATOM 753 N TRP A 47 -10.871 -0.138 4.129 1.00 0.00 N ATOM 754 CA TRP A 47 -10.543 -1.464 4.625 1.00 0.00 C ATOM 755 C TRP A 47 -11.690 -1.930 5.523 1.00 0.00 C ATOM 756 O TRP A 47 -11.693 -3.067 5.992 1.00 0.00 O ATOM 757 CB TRP A 47 -9.189 -1.463 5.337 1.00 0.00 C ATOM 758 CG TRP A 47 -8.014 -1.865 4.442 1.00 0.00 C ATOM 759 CD1 TRP A 47 -7.462 -1.165 3.442 1.00 0.00 C ATOM 760 CD2 TRP A 47 -7.266 -3.097 4.507 1.00 0.00 C ATOM 761 NE1 TRP A 47 -6.417 -1.853 2.860 1.00 0.00 N ATOM 762 CE2 TRP A 47 -6.294 -3.065 3.529 1.00 0.00 C ATOM 763 CE3 TRP A 47 -7.406 -4.202 5.365 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -5.386 -4.110 3.315 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -6.492 -5.238 5.139 1.00 0.00 C ATOM 766 CH2 TRP A 47 -5.507 -5.221 4.158 1.00 0.00 C ATOM 0 H TRP A 47 -10.308 0.616 4.523 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.438 -2.169 3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.002 -0.467 5.739 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.236 -2.145 6.186 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.793 -0.185 3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.841 -1.531 2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.159 -4.248 6.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.634 -4.061 2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.557 -6.111 5.771 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.838 -6.061 4.047 1.00 0.00 H new ATOM 777 N GLN A 48 -12.637 -1.028 5.735 1.00 0.00 N ATOM 778 CA GLN A 48 -13.788 -1.333 6.568 1.00 0.00 C ATOM 779 C GLN A 48 -14.691 -2.354 5.873 1.00 0.00 C ATOM 780 O GLN A 48 -14.888 -3.458 6.377 1.00 0.00 O ATOM 781 CB GLN A 48 -14.564 -0.062 6.918 1.00 0.00 C ATOM 782 CG GLN A 48 -15.830 -0.393 7.711 1.00 0.00 C ATOM 783 CD GLN A 48 -17.078 -0.250 6.837 1.00 0.00 C ATOM 784 OE1 GLN A 48 -17.488 -1.390 6.290 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 -17.631 0.825 6.672 1.00 0.00 N flip ATOM 0 H GLN A 48 -12.631 -0.086 5.344 1.00 0.00 H new ATOM 0 HA GLN A 48 -13.431 -1.769 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.930 0.606 7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.831 0.468 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.766 -1.411 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.907 0.270 8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -17.262 1.663 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -18.462 0.886 6.083 1.00 0.00 H new ATOM 794 N ASN A 49 -15.217 -1.947 4.727 1.00 0.00 N ATOM 795 CA ASN A 49 -16.095 -2.812 3.957 1.00 0.00 C ATOM 796 C ASN A 49 -15.257 -3.867 3.231 1.00 0.00 C ATOM 797 O ASN A 49 -15.717 -4.985 3.008 1.00 0.00 O ATOM 798 CB ASN A 49 -16.868 -2.016 2.904 1.00 0.00 C ATOM 799 CG ASN A 49 -16.767 -0.513 3.170 1.00 0.00 C ATOM 800 OD1 ASN A 49 -16.964 -0.037 4.276 1.00 0.00 O ATOM 801 ND2 ASN A 49 -16.449 0.206 2.097 1.00 0.00 N ATOM 0 H ASN A 49 -15.052 -1.030 4.313 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.800 -3.277 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.475 -2.241 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.915 -2.320 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.357 1.219 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.297 -0.256 1.200 1.00 0.00 H new ATOM 808 N SER A 50 -14.040 -3.473 2.883 1.00 0.00 N ATOM 809 CA SER A 50 -13.134 -4.370 2.187 1.00 0.00 C ATOM 810 C SER A 50 -13.081 -5.720 2.904 1.00 0.00 C ATOM 811 O SER A 50 -13.310 -6.762 2.291 1.00 0.00 O ATOM 812 CB SER A 50 -11.731 -3.767 2.087 1.00 0.00 C ATOM 813 OG SER A 50 -10.897 -4.174 3.168 1.00 0.00 O ATOM 0 H SER A 50 -13.661 -2.545 3.070 1.00 0.00 H new ATOM 0 HA SER A 50 -13.510 -4.518 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.274 -4.067 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.804 -2.680 2.075 1.00 0.00 H new ATOM 0 HG SER A 50 -9.990 -4.343 2.836 1.00 0.00 H new ATOM 819 N ILE A 51 -12.779 -5.659 4.193 1.00 0.00 N ATOM 820 CA ILE A 51 -12.694 -6.864 5.000 1.00 0.00 C ATOM 821 C ILE A 51 -14.106 -7.345 5.341 1.00 0.00 C ATOM 822 O ILE A 51 -14.430 -8.516 5.148 1.00 0.00 O ATOM 823 CB ILE A 51 -11.812 -6.626 6.227 1.00 0.00 C ATOM 824 CG1 ILE A 51 -12.553 -5.804 7.284 1.00 0.00 C ATOM 825 CG2 ILE A 51 -10.482 -5.983 5.830 1.00 0.00 C ATOM 826 CD1 ILE A 51 -11.623 -5.430 8.440 1.00 0.00 C ATOM 0 H ILE A 51 -12.590 -4.793 4.698 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.211 -7.665 4.440 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.581 -7.593 6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.956 -4.899 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.401 -6.374 7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.874 -5.825 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.952 -6.640 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.671 -5.025 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -12.175 -4.846 9.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.241 -6.337 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.789 -4.839 8.060 1.00 0.00 H new ATOM 838 N ARG A 52 -14.907 -6.418 5.843 1.00 0.00 N ATOM 839 CA ARG A 52 -16.277 -6.732 6.213 1.00 0.00 C ATOM 840 C ARG A 52 -16.969 -7.499 5.085 1.00 0.00 C ATOM 841 O ARG A 52 -17.865 -8.304 5.334 1.00 0.00 O ATOM 842 CB ARG A 52 -17.071 -5.461 6.519 1.00 0.00 C ATOM 843 CG ARG A 52 -17.306 -5.309 8.023 1.00 0.00 C ATOM 844 CD ARG A 52 -17.916 -3.944 8.348 1.00 0.00 C ATOM 845 NE ARG A 52 -16.948 -3.126 9.113 1.00 0.00 N ATOM 846 CZ ARG A 52 -17.271 -2.014 9.785 1.00 0.00 C ATOM 847 NH1 ARG A 52 -18.539 -1.579 9.792 1.00 0.00 N ATOM 848 NH2 ARG A 52 -16.327 -1.335 10.452 1.00 0.00 N ATOM 0 H ARG A 52 -14.634 -5.448 6.003 1.00 0.00 H new ATOM 0 HA ARG A 52 -16.244 -7.350 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.532 -4.592 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.029 -5.492 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.969 -6.100 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.362 -5.426 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.190 -3.430 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.831 -4.074 8.925 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.974 -3.428 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.258 -2.095 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.785 -0.732 10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.362 -1.665 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.574 -0.488 10.964 1.00 0.00 H new ATOM 862 N HIS A 53 -16.527 -7.222 3.867 1.00 0.00 N ATOM 863 CA HIS A 53 -17.092 -7.876 2.699 1.00 0.00 C ATOM 864 C HIS A 53 -16.479 -9.269 2.543 1.00 0.00 C ATOM 865 O HIS A 53 -17.195 -10.270 2.544 1.00 0.00 O ATOM 866 CB HIS A 53 -16.916 -7.008 1.451 1.00 0.00 C ATOM 867 CG HIS A 53 -17.674 -7.505 0.244 1.00 0.00 C ATOM 868 ND1 HIS A 53 -17.113 -8.348 -0.699 1.00 0.00 N ATOM 869 CD2 HIS A 53 -18.955 -7.271 -0.162 1.00 0.00 C ATOM 870 CE1 HIS A 53 -18.023 -8.602 -1.628 1.00 0.00 C ATOM 871 NE2 HIS A 53 -19.164 -7.934 -1.293 1.00 0.00 N ATOM 0 H HIS A 53 -15.784 -6.553 3.664 1.00 0.00 H new ATOM 0 HA HIS A 53 -18.166 -8.003 2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -17.241 -5.993 1.679 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.856 -6.955 1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.677 -6.652 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.885 -9.228 -2.497 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -20.035 -7.942 -1.824 1.00 0.00 H new ATOM 879 N ASN A 54 -15.161 -9.289 2.413 1.00 0.00 N ATOM 880 CA ASN A 54 -14.444 -10.543 2.257 1.00 0.00 C ATOM 881 C ASN A 54 -14.582 -11.368 3.538 1.00 0.00 C ATOM 882 O ASN A 54 -14.238 -12.549 3.561 1.00 0.00 O ATOM 883 CB ASN A 54 -12.954 -10.299 2.011 1.00 0.00 C ATOM 884 CG ASN A 54 -12.729 -9.577 0.681 1.00 0.00 C ATOM 885 OD1 ASN A 54 -12.754 -10.378 -0.380 1.00 0.00 O flip ATOM 886 ND2 ASN A 54 -12.545 -8.372 0.622 1.00 0.00 N flip ATOM 0 H ASN A 54 -14.571 -8.457 2.412 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.869 -11.070 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.540 -9.705 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.422 -11.250 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.538 -7.815 1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.398 -7.922 -0.282 1.00 0.00 H new ATOM 893 N LEU A 55 -15.087 -10.714 4.574 1.00 0.00 N ATOM 894 CA LEU A 55 -15.275 -11.372 5.855 1.00 0.00 C ATOM 895 C LEU A 55 -16.631 -12.080 5.866 1.00 0.00 C ATOM 896 O LEU A 55 -16.699 -13.296 6.039 1.00 0.00 O ATOM 897 CB LEU A 55 -15.093 -10.375 7.002 1.00 0.00 C ATOM 898 CG LEU A 55 -15.030 -10.974 8.408 1.00 0.00 C ATOM 899 CD1 LEU A 55 -14.645 -12.453 8.357 1.00 0.00 C ATOM 900 CD2 LEU A 55 -14.091 -10.167 9.306 1.00 0.00 C ATOM 0 H LEU A 55 -15.372 -9.735 4.552 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.514 -12.138 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.175 -9.813 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.915 -9.660 6.970 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.025 -10.916 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.607 -12.854 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.386 -13.002 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.666 -12.558 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.064 -10.614 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.088 -10.170 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.451 -9.141 9.379 1.00 0.00 H new ATOM 912 N SER A 56 -17.677 -11.288 5.679 1.00 0.00 N ATOM 913 CA SER A 56 -19.028 -11.824 5.665 1.00 0.00 C ATOM 914 C SER A 56 -19.331 -12.444 4.300 1.00 0.00 C ATOM 915 O SER A 56 -19.837 -13.562 4.220 1.00 0.00 O ATOM 916 CB SER A 56 -20.055 -10.739 5.995 1.00 0.00 C ATOM 917 OG SER A 56 -21.255 -10.894 5.243 1.00 0.00 O ATOM 0 H SER A 56 -17.616 -10.280 5.536 1.00 0.00 H new ATOM 0 HA SER A 56 -19.097 -12.596 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 56 -20.287 -10.771 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.624 -9.758 5.793 1.00 0.00 H new ATOM 0 HG SER A 56 -21.578 -10.014 4.958 1.00 0.00 H new ATOM 923 N LEU A 57 -19.008 -11.691 3.258 1.00 0.00 N ATOM 924 CA LEU A 57 -19.239 -12.153 1.900 1.00 0.00 C ATOM 925 C LEU A 57 -18.117 -13.111 1.494 1.00 0.00 C ATOM 926 O LEU A 57 -17.116 -12.690 0.917 1.00 0.00 O ATOM 927 CB LEU A 57 -19.406 -10.964 0.952 1.00 0.00 C ATOM 928 CG LEU A 57 -20.778 -10.822 0.290 1.00 0.00 C ATOM 929 CD1 LEU A 57 -21.550 -9.639 0.879 1.00 0.00 C ATOM 930 CD2 LEU A 57 -20.646 -10.720 -1.231 1.00 0.00 C ATOM 0 H LEU A 57 -18.588 -10.764 3.327 1.00 0.00 H new ATOM 0 HA LEU A 57 -20.173 -12.712 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -19.196 -10.050 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -18.653 -11.041 0.168 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.355 -11.722 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.522 -9.560 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -21.692 -9.794 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.987 -8.720 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -21.636 -10.620 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.043 -9.848 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -20.164 -11.619 -1.616 1.00 0.00 H new ATOM 942 N ASN A 58 -18.323 -14.380 1.812 1.00 0.00 N ATOM 943 CA ASN A 58 -17.342 -15.402 1.487 1.00 0.00 C ATOM 944 C ASN A 58 -17.502 -16.581 2.448 1.00 0.00 C ATOM 945 O ASN A 58 -17.569 -17.732 2.018 1.00 0.00 O ATOM 946 CB ASN A 58 -15.917 -14.863 1.633 1.00 0.00 C ATOM 947 CG ASN A 58 -15.335 -14.473 0.273 1.00 0.00 C ATOM 948 OD1 ASN A 58 -14.869 -13.366 0.062 1.00 0.00 O ATOM 949 ND2 ASN A 58 -15.389 -15.443 -0.636 1.00 0.00 N ATOM 0 H ASN A 58 -19.155 -14.724 2.291 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.507 -15.712 0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.918 -13.996 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.285 -15.618 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.027 -15.282 -1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.793 -16.348 -0.393 1.00 0.00 H new ATOM 956 N ASP A 59 -17.559 -16.255 3.731 1.00 0.00 N ATOM 957 CA ASP A 59 -17.711 -17.273 4.756 1.00 0.00 C ATOM 958 C ASP A 59 -19.184 -17.675 4.856 1.00 0.00 C ATOM 959 O ASP A 59 -19.532 -18.832 4.627 1.00 0.00 O ATOM 960 CB ASP A 59 -17.271 -16.747 6.124 1.00 0.00 C ATOM 961 CG ASP A 59 -15.813 -16.288 6.202 1.00 0.00 C ATOM 962 OD1 ASP A 59 -15.276 -15.922 5.134 1.00 0.00 O ATOM 963 OD2 ASP A 59 -15.270 -16.313 7.327 1.00 0.00 O ATOM 0 H ASP A 59 -17.503 -15.300 4.084 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.090 -18.125 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.914 -15.911 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.430 -17.530 6.866 1.00 0.00 H new ATOM 968 N CYS A 60 -20.009 -16.697 5.197 1.00 0.00 N ATOM 969 CA CYS A 60 -21.437 -16.934 5.330 1.00 0.00 C ATOM 970 C CYS A 60 -21.743 -17.211 6.803 1.00 0.00 C ATOM 971 O CYS A 60 -22.224 -18.289 7.149 1.00 0.00 O ATOM 972 CB CYS A 60 -21.907 -18.075 4.425 1.00 0.00 C ATOM 973 SG CYS A 60 -23.697 -17.907 4.085 1.00 0.00 S ATOM 0 H CYS A 60 -19.716 -15.738 5.385 1.00 0.00 H new ATOM 0 HA CYS A 60 -21.987 -16.050 5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -21.348 -18.062 3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -21.708 -19.034 4.902 1.00 0.00 H new ATOM 0 HG CYS A 60 -24.085 -18.879 3.314 1.00 0.00 H new ATOM 979 N PHE A 61 -21.451 -16.219 7.632 1.00 0.00 N ATOM 980 CA PHE A 61 -21.689 -16.342 9.060 1.00 0.00 C ATOM 981 C PHE A 61 -22.539 -15.179 9.576 1.00 0.00 C ATOM 982 O PHE A 61 -23.214 -14.506 8.799 1.00 0.00 O ATOM 983 CB PHE A 61 -20.322 -16.304 9.746 1.00 0.00 C ATOM 984 CG PHE A 61 -19.427 -15.152 9.285 1.00 0.00 C ATOM 985 CD1 PHE A 61 -19.824 -13.865 9.474 1.00 0.00 C ATOM 986 CD2 PHE A 61 -18.234 -15.415 8.687 1.00 0.00 C ATOM 987 CE1 PHE A 61 -18.993 -12.796 9.047 1.00 0.00 C ATOM 988 CE2 PHE A 61 -17.403 -14.346 8.260 1.00 0.00 C ATOM 989 CZ PHE A 61 -17.800 -13.059 8.449 1.00 0.00 C ATOM 0 H PHE A 61 -21.052 -15.326 7.342 1.00 0.00 H new ATOM 0 HA PHE A 61 -22.224 -17.268 9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -20.469 -16.227 10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -19.808 -17.247 9.561 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -20.771 -13.656 9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -17.919 -16.437 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.308 -11.774 9.197 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -16.456 -14.555 7.785 1.00 0.00 H new ATOM 0 HZ PHE A 61 -17.168 -12.246 8.124 1.00 0.00 H new ATOM 999 N VAL A 62 -22.478 -14.979 10.885 1.00 0.00 N ATOM 1000 CA VAL A 62 -23.233 -13.910 11.514 1.00 0.00 C ATOM 1001 C VAL A 62 -22.272 -12.984 12.262 1.00 0.00 C ATOM 1002 O VAL A 62 -21.115 -13.336 12.487 1.00 0.00 O ATOM 1003 CB VAL A 62 -24.321 -14.497 12.416 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -25.265 -15.399 11.619 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -23.706 -15.253 13.595 1.00 0.00 C ATOM 0 H VAL A 62 -21.917 -15.540 11.526 1.00 0.00 H new ATOM 0 HA VAL A 62 -23.743 -13.309 10.761 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.907 -13.670 12.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -26.029 -15.803 12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -25.741 -14.819 10.829 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -24.698 -16.218 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.500 -15.660 14.220 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -23.085 -16.067 13.221 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -23.093 -14.571 14.185 1.00 0.00 H new ATOM 1015 N LYS A 63 -22.786 -11.819 12.628 1.00 0.00 N ATOM 1016 CA LYS A 63 -21.988 -10.841 13.346 1.00 0.00 C ATOM 1017 C LYS A 63 -22.867 -10.128 14.376 1.00 0.00 C ATOM 1018 O LYS A 63 -24.029 -10.487 14.560 1.00 0.00 O ATOM 1019 CB LYS A 63 -21.295 -9.891 12.366 1.00 0.00 C ATOM 1020 CG LYS A 63 -22.317 -9.177 11.480 1.00 0.00 C ATOM 1021 CD LYS A 63 -22.587 -9.974 10.202 1.00 0.00 C ATOM 1022 CE LYS A 63 -21.905 -9.326 8.996 1.00 0.00 C ATOM 1023 NZ LYS A 63 -22.434 -9.891 7.735 1.00 0.00 N ATOM 0 H LYS A 63 -23.746 -11.531 12.440 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.187 -11.334 13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.711 -9.155 12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.597 -10.451 11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.248 -9.040 12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.949 -8.184 11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.226 -10.995 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -23.661 -10.035 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.067 -8.248 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.828 -9.487 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.036 -9.371 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.168 -10.894 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.470 -9.806 7.724 1.00 0.00 H new ATOM 1037 N ILE A 64 -22.279 -9.131 15.020 1.00 0.00 N ATOM 1038 CA ILE A 64 -22.994 -8.365 16.026 1.00 0.00 C ATOM 1039 C ILE A 64 -22.988 -6.886 15.634 1.00 0.00 C ATOM 1040 O ILE A 64 -21.950 -6.229 15.693 1.00 0.00 O ATOM 1041 CB ILE A 64 -22.416 -8.635 17.416 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -22.830 -10.018 17.923 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -22.803 -7.526 18.397 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -24.319 -10.050 18.276 1.00 0.00 C ATOM 0 H ILE A 64 -21.315 -8.836 14.865 1.00 0.00 H new ATOM 0 HA ILE A 64 -24.037 -8.678 16.074 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.329 -8.632 17.339 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -22.617 -10.767 17.161 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -22.239 -10.279 18.801 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -22.379 -7.743 19.377 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -22.417 -6.572 18.038 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -23.889 -7.472 18.475 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -24.587 -11.044 18.634 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -24.524 -9.316 19.056 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -24.908 -9.812 17.390 1.00 0.00 H new ATOM 1056 N PRO A 65 -24.190 -6.392 15.233 1.00 0.00 N ATOM 1057 CA PRO A 65 -24.332 -5.003 14.832 1.00 0.00 C ATOM 1058 C PRO A 65 -24.320 -4.077 16.050 1.00 0.00 C ATOM 1059 O PRO A 65 -24.195 -4.537 17.183 1.00 0.00 O ATOM 1060 CB PRO A 65 -25.639 -4.949 14.058 1.00 0.00 C ATOM 1061 CG PRO A 65 -26.407 -6.201 14.449 1.00 0.00 C ATOM 1062 CD PRO A 65 -25.440 -7.141 15.151 1.00 0.00 C ATOM 0 HA PRO A 65 -23.504 -4.657 14.214 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -26.204 -4.051 14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -25.456 -4.923 12.984 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -27.239 -5.949 15.106 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -26.832 -6.680 13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -25.803 -7.415 16.141 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -25.311 -8.067 14.591 1.00 0.00 H new ATOM 1070 N ARG A 66 -24.450 -2.787 15.774 1.00 0.00 N ATOM 1071 CA ARG A 66 -24.455 -1.792 16.833 1.00 0.00 C ATOM 1072 C ARG A 66 -25.108 -2.362 18.093 1.00 0.00 C ATOM 1073 O ARG A 66 -26.331 -2.469 18.169 1.00 0.00 O ATOM 1074 CB ARG A 66 -25.209 -0.533 16.401 1.00 0.00 C ATOM 1075 CG ARG A 66 -24.527 0.131 15.203 1.00 0.00 C ATOM 1076 CD ARG A 66 -25.556 0.569 14.159 1.00 0.00 C ATOM 1077 NE ARG A 66 -26.285 -0.611 13.642 1.00 0.00 N ATOM 1078 CZ ARG A 66 -25.750 -1.525 12.822 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -24.477 -1.402 12.421 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -26.487 -2.563 12.404 1.00 0.00 N ATOM 0 H ARG A 66 -24.553 -2.408 14.832 1.00 0.00 H new ATOM 0 HA ARG A 66 -23.419 -1.527 17.045 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -26.236 -0.791 16.142 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -25.256 0.170 17.233 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -23.954 0.995 15.539 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -23.819 -0.564 14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -26.258 1.275 14.602 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -25.057 1.087 13.340 1.00 0.00 H new ATOM 0 HE ARG A 66 -27.256 -0.736 13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -23.916 -0.612 12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -24.069 -2.098 11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -27.455 -2.657 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -26.080 -3.259 11.780 1.00 0.00 H new ATOM 1094 N GLU A 67 -24.263 -2.713 19.052 1.00 0.00 N ATOM 1095 CA GLU A 67 -24.743 -3.269 20.306 1.00 0.00 C ATOM 1096 C GLU A 67 -24.152 -2.500 21.488 1.00 0.00 C ATOM 1097 O GLU A 67 -23.334 -1.600 21.302 1.00 0.00 O ATOM 1098 CB GLU A 67 -24.418 -4.761 20.404 1.00 0.00 C ATOM 1099 CG GLU A 67 -25.695 -5.603 20.386 1.00 0.00 C ATOM 1100 CD GLU A 67 -25.504 -6.905 21.167 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -24.392 -7.468 21.069 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -26.475 -7.308 21.844 1.00 0.00 O ATOM 0 H GLU A 67 -23.249 -2.623 18.986 1.00 0.00 H new ATOM 0 HA GLU A 67 -25.828 -3.164 20.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -23.775 -5.052 19.574 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -23.862 -4.956 21.321 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -26.517 -5.033 20.818 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -25.971 -5.830 19.356 1.00 0.00 H new ATOM 1109 N PRO A 68 -24.600 -2.892 22.711 1.00 0.00 N ATOM 1110 CA PRO A 68 -24.124 -2.249 23.924 1.00 0.00 C ATOM 1111 C PRO A 68 -22.702 -2.701 24.262 1.00 0.00 C ATOM 1112 O PRO A 68 -22.475 -3.329 25.296 1.00 0.00 O ATOM 1113 CB PRO A 68 -25.137 -2.626 24.993 1.00 0.00 C ATOM 1114 CG PRO A 68 -25.881 -3.837 24.453 1.00 0.00 C ATOM 1115 CD PRO A 68 -25.568 -3.953 22.970 1.00 0.00 C ATOM 0 HA PRO A 68 -24.053 -1.166 23.826 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -24.642 -2.860 25.935 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -25.823 -1.802 25.189 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -25.573 -4.740 24.980 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -26.954 -3.727 24.609 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -25.156 -4.933 22.728 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -26.466 -3.826 22.365 1.00 0.00 H new ATOM 1123 N GLY A 69 -21.781 -2.365 23.371 1.00 0.00 N ATOM 1124 CA GLY A 69 -20.387 -2.729 23.562 1.00 0.00 C ATOM 1125 C GLY A 69 -19.546 -2.337 22.345 1.00 0.00 C ATOM 1126 O GLY A 69 -18.782 -3.150 21.827 1.00 0.00 O ATOM 0 H GLY A 69 -21.973 -1.845 22.515 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.997 -2.235 24.452 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.308 -3.803 23.733 1.00 0.00 H new ATOM 1130 N ASN A 70 -19.716 -1.093 21.925 1.00 0.00 N ATOM 1131 CA ASN A 70 -18.983 -0.583 20.778 1.00 0.00 C ATOM 1132 C ASN A 70 -18.389 0.783 21.124 1.00 0.00 C ATOM 1133 O ASN A 70 -18.755 1.793 20.526 1.00 0.00 O ATOM 1134 CB ASN A 70 -19.904 -0.406 19.570 1.00 0.00 C ATOM 1135 CG ASN A 70 -20.610 -1.718 19.221 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -20.509 -2.712 19.921 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -21.327 -1.665 18.102 1.00 0.00 N ATOM 0 H ASN A 70 -20.351 -0.422 22.358 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.200 -1.301 20.532 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.645 0.364 19.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.324 -0.062 18.714 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.835 -2.490 17.783 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.368 -0.800 17.563 1.00 0.00 H new ATOM 1144 N PRO A 71 -17.457 0.771 22.115 1.00 0.00 N ATOM 1145 CA PRO A 71 -16.808 1.997 22.548 1.00 0.00 C ATOM 1146 C PRO A 71 -15.766 2.456 21.526 1.00 0.00 C ATOM 1147 O PRO A 71 -14.565 2.380 21.782 1.00 0.00 O ATOM 1148 CB PRO A 71 -16.205 1.665 23.903 1.00 0.00 C ATOM 1149 CG PRO A 71 -16.137 0.148 23.969 1.00 0.00 C ATOM 1150 CD PRO A 71 -16.998 -0.407 22.846 1.00 0.00 C ATOM 0 HA PRO A 71 -17.501 2.834 22.630 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.213 2.105 24.008 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.818 2.064 24.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.107 -0.193 23.864 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.494 -0.208 24.935 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.426 -1.075 22.202 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -17.837 -0.982 23.237 1.00 0.00 H new ATOM 1158 N GLY A 72 -16.263 2.922 20.390 1.00 0.00 N ATOM 1159 CA GLY A 72 -15.390 3.394 19.329 1.00 0.00 C ATOM 1160 C GLY A 72 -15.252 2.343 18.225 1.00 0.00 C ATOM 1161 O GLY A 72 -15.694 2.559 17.098 1.00 0.00 O ATOM 0 H GLY A 72 -17.260 2.983 20.181 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.788 4.318 18.909 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.407 3.628 19.739 1.00 0.00 H new ATOM 1165 N LYS A 73 -14.636 1.227 18.588 1.00 0.00 N ATOM 1166 CA LYS A 73 -14.434 0.142 17.643 1.00 0.00 C ATOM 1167 C LYS A 73 -14.606 -1.196 18.364 1.00 0.00 C ATOM 1168 O LYS A 73 -13.691 -2.017 18.384 1.00 0.00 O ATOM 1169 CB LYS A 73 -13.085 0.291 16.937 1.00 0.00 C ATOM 1170 CG LYS A 73 -13.121 1.433 15.919 1.00 0.00 C ATOM 1171 CD LYS A 73 -11.865 1.429 15.046 1.00 0.00 C ATOM 1172 CE LYS A 73 -10.935 2.586 15.420 1.00 0.00 C ATOM 1173 NZ LYS A 73 -11.231 3.777 14.592 1.00 0.00 N ATOM 0 H LYS A 73 -14.270 1.051 19.524 1.00 0.00 H new ATOM 0 HA LYS A 73 -15.186 0.179 16.855 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.304 0.480 17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.829 -0.641 16.434 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.006 1.336 15.290 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.203 2.387 16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.339 0.482 15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.147 1.509 13.996 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.055 2.830 16.475 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.897 2.286 15.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.591 4.553 14.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.094 3.544 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.216 4.072 14.748 1.00 0.00 H new ATOM 1187 N GLY A 74 -15.787 -1.374 18.940 1.00 0.00 N ATOM 1188 CA GLY A 74 -16.091 -2.598 19.660 1.00 0.00 C ATOM 1189 C GLY A 74 -17.254 -3.345 19.006 1.00 0.00 C ATOM 1190 O GLY A 74 -18.322 -2.773 18.793 1.00 0.00 O ATOM 0 H GLY A 74 -16.544 -0.690 18.922 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.210 -3.239 19.683 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.341 -2.363 20.695 1.00 0.00 H new ATOM 1194 N ASN A 75 -17.008 -4.612 18.705 1.00 0.00 N ATOM 1195 CA ASN A 75 -18.022 -5.443 18.079 1.00 0.00 C ATOM 1196 C ASN A 75 -17.641 -6.916 18.243 1.00 0.00 C ATOM 1197 O ASN A 75 -16.625 -7.232 18.859 1.00 0.00 O ATOM 1198 CB ASN A 75 -18.131 -5.146 16.582 1.00 0.00 C ATOM 1199 CG ASN A 75 -16.745 -5.058 15.939 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -15.790 -4.573 16.524 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -16.689 -5.552 14.705 1.00 0.00 N ATOM 0 H ASN A 75 -16.121 -5.083 18.883 1.00 0.00 H new ATOM 0 HA ASN A 75 -18.977 -5.229 18.559 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -18.714 -5.927 16.094 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -18.666 -4.208 16.431 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.809 -5.539 14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.526 -5.944 14.274 1.00 0.00 H new ATOM 1208 N TYR A 76 -18.477 -7.776 17.680 1.00 0.00 N ATOM 1209 CA TYR A 76 -18.240 -9.208 17.756 1.00 0.00 C ATOM 1210 C TYR A 76 -18.816 -9.924 16.533 1.00 0.00 C ATOM 1211 O TYR A 76 -19.918 -9.610 16.087 1.00 0.00 O ATOM 1212 CB TYR A 76 -18.975 -9.691 19.008 1.00 0.00 C ATOM 1213 CG TYR A 76 -18.835 -8.756 20.212 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -17.617 -8.629 20.848 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -19.927 -8.041 20.661 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -17.486 -7.749 21.980 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -19.795 -7.161 21.793 1.00 0.00 C ATOM 1218 CZ TYR A 76 -18.581 -7.059 22.397 1.00 0.00 C ATOM 1219 OH TYR A 76 -18.456 -6.228 23.467 1.00 0.00 O ATOM 0 H TYR A 76 -19.319 -7.509 17.170 1.00 0.00 H new ATOM 0 HA TYR A 76 -17.171 -9.419 17.791 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -20.033 -9.808 18.773 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.598 -10.677 19.281 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.763 -9.189 20.497 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -20.880 -8.142 20.163 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -16.539 -7.639 22.487 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.641 -6.595 22.154 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.318 -5.800 23.651 1.00 0.00 H new ATOM 1229 N TRP A 77 -18.044 -10.874 16.026 1.00 0.00 N ATOM 1230 CA TRP A 77 -18.463 -11.638 14.863 1.00 0.00 C ATOM 1231 C TRP A 77 -18.424 -13.122 15.233 1.00 0.00 C ATOM 1232 O TRP A 77 -17.480 -13.581 15.874 1.00 0.00 O ATOM 1233 CB TRP A 77 -17.598 -11.303 13.646 1.00 0.00 C ATOM 1234 CG TRP A 77 -17.908 -9.943 13.018 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -18.148 -8.781 13.642 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -18.003 -9.648 11.608 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -18.389 -7.764 12.741 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -18.298 -8.308 11.466 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -17.845 -10.487 10.491 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -18.461 -7.687 10.221 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -18.011 -9.851 9.255 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -18.308 -8.503 9.094 1.00 0.00 C ATOM 0 H TRP A 77 -17.131 -11.132 16.399 1.00 0.00 H new ATOM 0 HA TRP A 77 -19.482 -11.377 14.577 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -16.549 -11.325 13.942 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.733 -12.079 12.892 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -18.152 -8.657 14.715 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -18.596 -6.792 12.969 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -17.614 -11.538 10.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -18.692 -6.636 10.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -17.900 -10.450 8.363 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -18.420 -8.087 8.104 1.00 0.00 H new ATOM 1253 N THR A 78 -19.462 -13.831 14.814 1.00 0.00 N ATOM 1254 CA THR A 78 -19.559 -15.253 15.094 1.00 0.00 C ATOM 1255 C THR A 78 -19.577 -16.053 13.790 1.00 0.00 C ATOM 1256 O THR A 78 -20.275 -15.690 12.844 1.00 0.00 O ATOM 1257 CB THR A 78 -20.797 -15.481 15.963 1.00 0.00 C ATOM 1258 OG1 THR A 78 -20.614 -14.598 17.066 1.00 0.00 O ATOM 1259 CG2 THR A 78 -20.817 -16.873 16.600 1.00 0.00 C ATOM 0 H THR A 78 -20.243 -13.447 14.283 1.00 0.00 H new ATOM 0 HA THR A 78 -18.688 -15.608 15.645 1.00 0.00 H new ATOM 0 HB THR A 78 -21.694 -15.345 15.359 1.00 0.00 H new ATOM 0 HG1 THR A 78 -21.373 -14.680 17.680 1.00 0.00 H new ATOM 0 HG21 THR A 78 -21.716 -16.983 17.206 1.00 0.00 H new ATOM 0 HG22 THR A 78 -20.812 -17.631 15.817 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.937 -16.997 17.231 1.00 0.00 H new ATOM 1267 N LEU A 79 -18.800 -17.127 13.780 1.00 0.00 N ATOM 1268 CA LEU A 79 -18.719 -17.981 12.608 1.00 0.00 C ATOM 1269 C LEU A 79 -19.189 -19.390 12.975 1.00 0.00 C ATOM 1270 O LEU A 79 -19.158 -19.774 14.143 1.00 0.00 O ATOM 1271 CB LEU A 79 -17.310 -17.938 12.011 1.00 0.00 C ATOM 1272 CG LEU A 79 -17.119 -18.685 10.690 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -16.357 -17.825 9.679 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -16.441 -20.038 10.917 1.00 0.00 C ATOM 0 H LEU A 79 -18.221 -17.425 14.565 1.00 0.00 H new ATOM 0 HA LEU A 79 -19.384 -17.617 11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.033 -16.895 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.614 -18.349 12.742 1.00 0.00 H new ATOM 0 HG LEU A 79 -18.103 -18.885 10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.235 -18.380 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.916 -16.910 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.376 -17.572 10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.317 -20.548 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.464 -19.883 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.058 -20.648 11.577 1.00 0.00 H new ATOM 1286 N ASP A 80 -19.612 -20.122 11.955 1.00 0.00 N ATOM 1287 CA ASP A 80 -20.088 -21.480 12.155 1.00 0.00 C ATOM 1288 C ASP A 80 -18.914 -22.452 12.022 1.00 0.00 C ATOM 1289 O ASP A 80 -17.920 -22.144 11.366 1.00 0.00 O ATOM 1290 CB ASP A 80 -21.136 -21.857 11.106 1.00 0.00 C ATOM 1291 CG ASP A 80 -22.570 -21.953 11.630 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -23.248 -20.902 11.624 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -22.957 -23.074 12.024 1.00 0.00 O ATOM 0 H ASP A 80 -19.635 -19.800 10.987 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.535 -21.538 13.147 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.107 -21.120 10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.860 -22.816 10.667 1.00 0.00 H new ATOM 1298 N PRO A 81 -19.072 -23.637 12.671 1.00 0.00 N ATOM 1299 CA PRO A 81 -18.037 -24.656 12.631 1.00 0.00 C ATOM 1300 C PRO A 81 -18.016 -25.363 11.275 1.00 0.00 C ATOM 1301 O PRO A 81 -18.705 -26.363 11.081 1.00 0.00 O ATOM 1302 CB PRO A 81 -18.362 -25.592 13.784 1.00 0.00 C ATOM 1303 CG PRO A 81 -19.818 -25.331 14.135 1.00 0.00 C ATOM 1304 CD PRO A 81 -20.236 -24.036 13.457 1.00 0.00 C ATOM 0 HA PRO A 81 -17.035 -24.242 12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -18.210 -26.633 13.497 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.714 -25.399 14.639 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -20.445 -26.157 13.800 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -19.942 -25.254 15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -21.110 -24.185 12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.500 -23.273 14.189 1.00 0.00 H new ATOM 1312 N GLN A 82 -17.217 -24.815 10.370 1.00 0.00 N ATOM 1313 CA GLN A 82 -17.096 -25.381 9.037 1.00 0.00 C ATOM 1314 C GLN A 82 -16.413 -24.385 8.098 1.00 0.00 C ATOM 1315 O GLN A 82 -16.806 -24.248 6.941 1.00 0.00 O ATOM 1316 CB GLN A 82 -18.464 -25.798 8.493 1.00 0.00 C ATOM 1317 CG GLN A 82 -18.568 -27.320 8.382 1.00 0.00 C ATOM 1318 CD GLN A 82 -19.901 -27.734 7.754 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -20.119 -27.609 6.560 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -20.777 -28.232 8.622 1.00 0.00 N ATOM 0 H GLN A 82 -16.647 -23.985 10.534 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.477 -26.276 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.250 -25.423 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.623 -25.346 7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.744 -27.701 7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -18.473 -27.768 9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -20.530 -28.309 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -21.696 -28.537 8.301 1.00 0.00 H new ATOM 1329 N SER A 83 -15.402 -23.715 8.631 1.00 0.00 N ATOM 1330 CA SER A 83 -14.661 -22.736 7.855 1.00 0.00 C ATOM 1331 C SER A 83 -13.627 -23.440 6.974 1.00 0.00 C ATOM 1332 O SER A 83 -13.448 -23.080 5.812 1.00 0.00 O ATOM 1333 CB SER A 83 -13.975 -21.716 8.766 1.00 0.00 C ATOM 1334 OG SER A 83 -12.862 -22.279 9.456 1.00 0.00 O ATOM 0 H SER A 83 -15.079 -23.831 9.591 1.00 0.00 H new ATOM 0 HA SER A 83 -15.366 -22.200 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.640 -20.866 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.695 -21.335 9.490 1.00 0.00 H new ATOM 0 HG SER A 83 -12.932 -22.074 10.412 1.00 0.00 H new ATOM 1340 N GLU A 84 -12.973 -24.432 7.561 1.00 0.00 N ATOM 1341 CA GLU A 84 -11.962 -25.190 6.845 1.00 0.00 C ATOM 1342 C GLU A 84 -12.590 -25.920 5.655 1.00 0.00 C ATOM 1343 O GLU A 84 -12.169 -25.733 4.515 1.00 0.00 O ATOM 1344 CB GLU A 84 -11.250 -26.172 7.777 1.00 0.00 C ATOM 1345 CG GLU A 84 -9.919 -26.630 7.177 1.00 0.00 C ATOM 1346 CD GLU A 84 -9.904 -28.145 6.966 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -10.161 -28.859 7.960 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -9.637 -28.556 5.816 1.00 0.00 O ATOM 0 H GLU A 84 -13.124 -24.728 8.525 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.214 -24.493 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.074 -25.699 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.889 -27.037 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.752 -26.125 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.101 -26.343 7.837 1.00 0.00 H new ATOM 1355 N ASP A 85 -13.587 -26.737 5.963 1.00 0.00 N ATOM 1356 CA ASP A 85 -14.277 -27.496 4.934 1.00 0.00 C ATOM 1357 C ASP A 85 -14.731 -26.546 3.823 1.00 0.00 C ATOM 1358 O ASP A 85 -14.667 -26.889 2.644 1.00 0.00 O ATOM 1359 CB ASP A 85 -15.518 -28.189 5.499 1.00 0.00 C ATOM 1360 CG ASP A 85 -16.425 -28.844 4.456 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -15.942 -29.026 3.317 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -17.582 -29.149 4.820 1.00 0.00 O ATOM 0 H ASP A 85 -13.933 -26.890 6.910 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.587 -28.248 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.198 -28.951 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.102 -27.457 6.057 1.00 0.00 H new ATOM 1367 N MET A 86 -15.179 -25.371 4.240 1.00 0.00 N ATOM 1368 CA MET A 86 -15.643 -24.370 3.296 1.00 0.00 C ATOM 1369 C MET A 86 -14.473 -23.768 2.515 1.00 0.00 C ATOM 1370 O MET A 86 -14.602 -23.469 1.329 1.00 0.00 O ATOM 1371 CB MET A 86 -16.379 -23.260 4.049 1.00 0.00 C ATOM 1372 CG MET A 86 -16.805 -22.140 3.097 1.00 0.00 C ATOM 1373 SD MET A 86 -17.073 -20.630 4.011 1.00 0.00 S ATOM 1374 CE MET A 86 -15.466 -20.435 4.765 1.00 0.00 C ATOM 0 H MET A 86 -15.230 -25.090 5.219 1.00 0.00 H new ATOM 0 HA MET A 86 -16.318 -24.851 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 86 -17.257 -23.673 4.546 1.00 0.00 H new ATOM 0 HB3 MET A 86 -15.733 -22.854 4.828 1.00 0.00 H new ATOM 0 HG2 MET A 86 -16.037 -21.984 2.339 1.00 0.00 H new ATOM 0 HG3 MET A 86 -17.718 -22.424 2.573 1.00 0.00 H new ATOM 0 HE1 MET A 86 -15.150 -19.395 4.684 1.00 0.00 H new ATOM 0 HE2 MET A 86 -15.521 -20.717 5.816 1.00 0.00 H new ATOM 0 HE3 MET A 86 -14.745 -21.074 4.255 1.00 0.00 H new ATOM 1384 N PHE A 87 -13.358 -23.608 3.213 1.00 0.00 N ATOM 1385 CA PHE A 87 -12.166 -23.048 2.600 1.00 0.00 C ATOM 1386 C PHE A 87 -11.425 -24.103 1.775 1.00 0.00 C ATOM 1387 O PHE A 87 -10.342 -23.841 1.254 1.00 0.00 O ATOM 1388 CB PHE A 87 -11.257 -22.577 3.737 1.00 0.00 C ATOM 1389 CG PHE A 87 -11.695 -21.257 4.377 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -12.086 -20.218 3.592 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -11.692 -21.124 5.731 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -12.492 -18.993 4.186 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -12.098 -19.900 6.324 1.00 0.00 C ATOM 1394 CZ PHE A 87 -12.489 -18.860 5.539 1.00 0.00 C ATOM 0 H PHE A 87 -13.255 -23.856 4.197 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.441 -22.231 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.224 -23.349 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.242 -22.465 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -12.088 -20.324 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.381 -21.949 6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.803 -18.168 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.097 -19.794 7.399 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.797 -17.929 5.991 1.00 0.00 H new