USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 69 CYS SG : rot -74:sc= -0.186! USER MOD Set 1.2: A 120 GLN : amide:sc= 0.363 K(o=0.18,f=-2.6!) USER MOD Set 2.1: A 39 GLN :FLIP amide:sc= 0.791 F(o=-0.35,f=0.79) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0922 X(o=-0.092,f=0) USER MOD Single : A 23 MET CE :methyl 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 25 MET CE :methyl -141:sc= -0.155 (180deg=-2.36) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 0.0391 (180deg=0) USER MOD Single : A 33 CYS SG : rot 129:sc= -1.69 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.71 F(o=-5.8!,f=-1.7) USER MOD Single : A 43 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.9!) USER MOD Single : A 49 GLN : amide:sc= -0.915 X(o=-0.91,f=-1.2) USER MOD Single : A 51 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-0.85) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0171 (180deg=-0.427) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 56 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.6!) USER MOD Single : A 58 GLN :FLIP amide:sc= -4.1! C(o=-6.3!,f=-4.1!) USER MOD Single : A 64 ASN : amide:sc=-0.00162 K(o=-0.0016,f=-9.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -3.92! C(o=-8.4!,f=-3.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -2.64 F(o=-4.3!,f=-2.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= 0.355 (180deg=-0.314) USER MOD Single : A 92 GLN :FLIP amide:sc= -4.66! C(o=-6.7!,f=-4.7!) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.168 F(o=-0.79,f=-0.17) USER MOD Single : A 111 LYS NZ :NH3+ 146:sc= -0.0347 (180deg=-1.23) USER MOD Single : A 114 SER OG : rot -75:sc= -0.273 USER MOD Single : A 121 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0649) USER MOD Single : A 123 GLN :FLIP amide:sc= -1.71 F(o=-6.6!,f=-1.7) USER MOD Single : A 124 SER OG : rot -66:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.557 0.909 15.403 1.00 1.00 N ATOM 108 CA PRO A 9 -0.458 1.855 15.031 1.00 1.00 C ATOM 109 C PRO A 9 -0.925 2.908 14.025 1.00 1.00 C ATOM 110 O PRO A 9 -0.453 4.045 14.037 1.00 1.00 O ATOM 111 CB PRO A 9 0.624 0.939 14.423 1.00 1.00 C ATOM 112 CG PRO A 9 -0.101 -0.309 14.022 1.00 1.00 C ATOM 113 CD PRO A 9 -1.229 -0.477 15.033 1.00 1.00 C ATOM 0 HA PRO A 9 -0.098 2.427 15.886 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.102 1.410 13.564 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.410 0.723 15.147 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.494 -0.225 13.009 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.567 -1.170 14.035 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.086 -0.991 14.598 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -0.912 -1.060 15.897 1.00 1.00 H new ATOM 121 N LEU A 10 -1.853 2.518 13.162 1.00 1.00 N ATOM 122 CA LEU A 10 -2.380 3.432 12.155 1.00 1.00 C ATOM 123 C LEU A 10 -3.046 4.634 12.835 1.00 1.00 C ATOM 124 O LEU A 10 -3.717 4.465 13.855 1.00 1.00 O ATOM 125 CB LEU A 10 -3.409 2.701 11.284 1.00 1.00 C ATOM 126 CG LEU A 10 -2.719 1.590 10.463 1.00 1.00 C ATOM 127 CD1 LEU A 10 -3.734 0.495 10.116 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.151 2.170 9.160 1.00 1.00 C ATOM 0 H LEU A 10 -2.255 1.581 13.138 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.559 3.784 11.530 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.187 2.269 11.913 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.897 3.409 10.614 1.00 1.00 H new ATOM 0 HG LEU A 10 -1.909 1.170 11.059 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.242 -0.287 9.537 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.136 0.067 11.034 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.546 0.924 9.530 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.667 1.377 8.590 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.960 2.600 8.570 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.422 2.946 9.394 1.00 1.00 H new ATOM 140 N PRO A 11 -2.893 5.834 12.314 1.00 1.00 N ATOM 141 CA PRO A 11 -3.518 7.043 12.928 1.00 1.00 C ATOM 142 C PRO A 11 -5.043 6.988 12.851 1.00 1.00 C ATOM 143 O PRO A 11 -5.613 6.478 11.886 1.00 1.00 O ATOM 144 CB PRO A 11 -2.941 8.217 12.117 1.00 1.00 C ATOM 145 CG PRO A 11 -2.545 7.622 10.806 1.00 1.00 C ATOM 146 CD PRO A 11 -2.128 6.178 11.100 1.00 1.00 C ATOM 0 HA PRO A 11 -3.298 7.132 13.992 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.680 9.007 11.985 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.085 8.663 12.623 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.374 7.651 10.099 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.724 8.181 10.357 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.372 5.514 10.271 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.054 6.097 11.267 1.00 1.00 H new ATOM 154 N VAL A 12 -5.691 7.509 13.884 1.00 1.00 N ATOM 155 CA VAL A 12 -7.149 7.513 13.951 1.00 1.00 C ATOM 156 C VAL A 12 -7.746 8.405 12.865 1.00 1.00 C ATOM 157 O VAL A 12 -8.735 8.044 12.226 1.00 1.00 O ATOM 158 CB VAL A 12 -7.602 7.994 15.330 1.00 1.00 C ATOM 159 CG1 VAL A 12 -9.127 8.123 15.358 1.00 1.00 C ATOM 160 CG2 VAL A 12 -7.159 6.983 16.392 1.00 1.00 C ATOM 0 H VAL A 12 -5.231 7.935 14.689 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.503 6.495 13.787 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.154 8.966 15.538 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -9.445 8.466 16.343 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -9.445 8.842 14.603 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.578 7.153 15.148 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.481 7.324 17.376 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.607 6.012 16.180 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -6.073 6.892 16.377 1.00 1.00 H new ATOM 170 N GLY A 13 -7.150 9.575 12.673 1.00 1.00 N ATOM 171 CA GLY A 13 -7.642 10.516 11.674 1.00 1.00 C ATOM 172 C GLY A 13 -7.797 9.844 10.314 1.00 1.00 C ATOM 173 O GLY A 13 -8.739 10.130 9.575 1.00 1.00 O ATOM 0 H GLY A 13 -6.331 9.894 13.191 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.602 10.922 11.994 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.953 11.356 11.591 1.00 1.00 H new ATOM 177 N ALA A 14 -6.869 8.951 9.986 1.00 1.00 N ATOM 178 CA ALA A 14 -6.919 8.250 8.708 1.00 1.00 C ATOM 179 C ALA A 14 -8.131 7.324 8.640 1.00 1.00 C ATOM 180 O ALA A 14 -8.518 6.715 9.637 1.00 1.00 O ATOM 181 CB ALA A 14 -5.644 7.425 8.516 1.00 1.00 C ATOM 0 H ALA A 14 -6.080 8.697 10.581 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.001 8.995 7.917 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.688 6.904 7.560 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.777 8.086 8.529 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.557 6.696 9.322 1.00 1.00 H new ATOM 187 N GLN A 15 -8.717 7.223 7.447 1.00 1.00 N ATOM 188 CA GLN A 15 -9.880 6.361 7.223 1.00 1.00 C ATOM 189 C GLN A 15 -9.429 5.106 6.474 1.00 1.00 C ATOM 190 O GLN A 15 -9.584 5.035 5.259 1.00 1.00 O ATOM 191 CB GLN A 15 -10.910 7.104 6.364 1.00 1.00 C ATOM 192 CG GLN A 15 -11.323 8.416 7.052 1.00 1.00 C ATOM 193 CD GLN A 15 -12.462 8.164 8.037 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.331 8.458 9.225 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.578 7.638 7.612 1.00 1.00 N ATOM 0 H GLN A 15 -8.405 7.729 6.618 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.325 6.091 8.181 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.490 7.316 5.381 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.786 6.475 6.207 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.468 8.844 7.576 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.635 9.144 6.303 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.685 7.395 6.627 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.344 7.470 8.265 1.00 1.00 H new ATOM 204 N PRO A 16 -8.856 4.130 7.145 1.00 1.00 N ATOM 205 CA PRO A 16 -8.351 2.894 6.465 1.00 1.00 C ATOM 206 C PRO A 16 -9.453 2.101 5.764 1.00 1.00 C ATOM 207 O PRO A 16 -10.142 1.292 6.383 1.00 1.00 O ATOM 208 CB PRO A 16 -7.706 2.086 7.605 1.00 1.00 C ATOM 209 CG PRO A 16 -8.363 2.588 8.847 1.00 1.00 C ATOM 210 CD PRO A 16 -8.623 4.071 8.602 1.00 1.00 C ATOM 0 HA PRO A 16 -7.654 3.133 5.662 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.871 1.017 7.475 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.627 2.240 7.638 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.293 2.054 9.042 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.722 2.441 9.716 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.486 4.428 9.164 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.773 4.685 8.900 1.00 1.00 H new ATOM 218 N LEU A 17 -9.593 2.335 4.462 1.00 1.00 N ATOM 219 CA LEU A 17 -10.595 1.629 3.670 1.00 1.00 C ATOM 220 C LEU A 17 -10.264 0.147 3.602 1.00 1.00 C ATOM 221 O LEU A 17 -11.144 -0.706 3.707 1.00 1.00 O ATOM 222 CB LEU A 17 -10.629 2.184 2.245 1.00 1.00 C ATOM 223 CG LEU A 17 -10.783 3.706 2.270 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.743 4.233 0.833 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.120 4.088 2.922 1.00 1.00 C ATOM 0 H LEU A 17 -9.030 3.003 3.936 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.565 1.770 4.147 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.713 1.913 1.720 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.456 1.737 1.693 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.971 4.145 2.849 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.852 5.318 0.840 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.791 3.967 0.374 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.558 3.790 0.260 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.221 5.173 2.936 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.941 3.654 2.351 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.148 3.708 3.943 1.00 1.00 H new ATOM 237 N ALA A 18 -8.980 -0.146 3.416 1.00 1.00 N ATOM 238 CA ALA A 18 -8.515 -1.530 3.319 1.00 1.00 C ATOM 239 C ALA A 18 -7.161 -1.676 3.999 1.00 1.00 C ATOM 240 O ALA A 18 -6.380 -0.727 4.054 1.00 1.00 O ATOM 241 CB ALA A 18 -8.395 -1.931 1.844 1.00 1.00 C ATOM 0 H ALA A 18 -8.243 0.554 3.329 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.234 -2.181 3.816 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.049 -2.962 1.774 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.369 -1.842 1.362 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.682 -1.274 1.345 1.00 1.00 H new ATOM 247 N THR A 19 -6.883 -2.871 4.516 1.00 1.00 N ATOM 248 CA THR A 19 -5.611 -3.132 5.191 1.00 1.00 C ATOM 249 C THR A 19 -5.090 -4.514 4.832 1.00 1.00 C ATOM 250 O THR A 19 -5.831 -5.497 4.872 1.00 1.00 O ATOM 251 CB THR A 19 -5.781 -3.013 6.706 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.643 -3.563 7.353 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.039 -3.763 7.149 1.00 1.00 C ATOM 0 H THR A 19 -7.516 -3.670 4.482 1.00 1.00 H new ATOM 0 HA THR A 19 -4.886 -2.389 4.857 1.00 1.00 H new ATOM 0 HB THR A 19 -5.881 -1.962 6.976 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.750 -3.486 8.324 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.154 -3.674 8.229 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.911 -3.335 6.655 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.949 -4.815 6.879 1.00 1.00 H new ATOM 261 N VAL A 20 -3.810 -4.587 4.464 1.00 1.00 N ATOM 262 CA VAL A 20 -3.207 -5.861 4.082 1.00 1.00 C ATOM 263 C VAL A 20 -1.797 -5.993 4.639 1.00 1.00 C ATOM 264 O VAL A 20 -1.145 -4.997 4.951 1.00 1.00 O ATOM 265 CB VAL A 20 -3.159 -5.961 2.553 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.589 -6.064 1.999 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.469 -4.712 1.974 1.00 1.00 C ATOM 0 H VAL A 20 -3.178 -3.787 4.423 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.816 -6.666 4.495 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.595 -6.849 2.267 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -4.554 -6.135 0.912 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.073 -6.952 2.405 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.155 -5.178 2.287 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.436 -4.785 0.887 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.028 -3.821 2.261 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.453 -4.644 2.364 1.00 1.00 H new ATOM 277 N GLU A 21 -1.325 -7.233 4.730 1.00 1.00 N ATOM 278 CA GLU A 21 0.025 -7.506 5.215 1.00 1.00 C ATOM 279 C GLU A 21 0.858 -8.078 4.077 1.00 1.00 C ATOM 280 O GLU A 21 0.507 -9.105 3.496 1.00 1.00 O ATOM 281 CB GLU A 21 -0.019 -8.503 6.373 1.00 1.00 C ATOM 282 CG GLU A 21 -0.674 -7.838 7.584 1.00 1.00 C ATOM 283 CD GLU A 21 -0.738 -8.819 8.748 1.00 1.00 C ATOM 284 OE1 GLU A 21 -1.696 -9.572 8.811 1.00 1.00 O ATOM 285 OE2 GLU A 21 0.172 -8.805 9.561 1.00 1.00 O ATOM 0 H GLU A 21 -1.857 -8.065 4.474 1.00 1.00 H new ATOM 0 HA GLU A 21 0.473 -6.578 5.571 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.580 -9.391 6.083 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.989 -8.831 6.625 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.107 -6.954 7.874 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.678 -7.502 7.326 1.00 1.00 H new ATOM 292 N GLY A 22 1.961 -7.407 3.757 1.00 1.00 N ATOM 293 CA GLY A 22 2.840 -7.851 2.675 1.00 1.00 C ATOM 294 C GLY A 22 4.290 -7.854 3.131 1.00 1.00 C ATOM 295 O GLY A 22 4.592 -7.501 4.268 1.00 1.00 O ATOM 0 H GLY A 22 2.268 -6.556 4.229 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.552 -8.852 2.353 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.725 -7.194 1.813 1.00 1.00 H new ATOM 299 N MET A 23 5.186 -8.269 2.238 1.00 1.00 N ATOM 300 CA MET A 23 6.611 -8.329 2.556 1.00 1.00 C ATOM 301 C MET A 23 7.400 -7.399 1.644 1.00 1.00 C ATOM 302 O MET A 23 7.648 -7.718 0.479 1.00 1.00 O ATOM 303 CB MET A 23 7.104 -9.764 2.384 1.00 1.00 C ATOM 304 CG MET A 23 6.088 -10.718 3.022 1.00 1.00 C ATOM 305 SD MET A 23 6.715 -12.414 2.954 1.00 1.00 S ATOM 306 CE MET A 23 7.682 -12.354 4.483 1.00 1.00 C ATOM 0 H MET A 23 4.952 -8.568 1.291 1.00 1.00 H new ATOM 0 HA MET A 23 6.760 -8.009 3.587 1.00 1.00 H new ATOM 0 HB2 MET A 23 7.226 -9.996 1.326 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.081 -9.886 2.852 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.904 -10.429 4.057 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.134 -10.652 2.498 1.00 1.00 H new ATOM 0 HE1 MET A 23 8.153 -13.322 4.654 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.451 -11.586 4.397 1.00 1.00 H new ATOM 0 HE3 MET A 23 7.025 -12.118 5.320 1.00 1.00 H new ATOM 316 N GLU A 24 7.792 -6.252 2.183 1.00 1.00 N ATOM 317 CA GLU A 24 8.553 -5.277 1.417 1.00 1.00 C ATOM 318 C GLU A 24 9.870 -5.881 0.944 1.00 1.00 C ATOM 319 O GLU A 24 10.675 -6.345 1.749 1.00 1.00 O ATOM 320 CB GLU A 24 8.824 -4.044 2.281 1.00 1.00 C ATOM 321 CG GLU A 24 9.598 -3.003 1.474 1.00 1.00 C ATOM 322 CD GLU A 24 9.752 -1.728 2.298 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.469 -1.776 3.482 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.150 -0.724 1.730 1.00 1.00 O ATOM 0 H GLU A 24 7.596 -5.976 3.145 1.00 1.00 H new ATOM 0 HA GLU A 24 7.972 -4.985 0.542 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.883 -3.620 2.630 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.393 -4.328 3.166 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.579 -3.394 1.203 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.073 -2.786 0.544 1.00 1.00 H new ATOM 331 N MET A 25 10.080 -5.875 -0.371 1.00 1.00 N ATOM 332 CA MET A 25 11.303 -6.429 -0.955 1.00 1.00 C ATOM 333 C MET A 25 12.231 -5.308 -1.414 1.00 1.00 C ATOM 334 O MET A 25 11.790 -4.330 -2.014 1.00 1.00 O ATOM 335 CB MET A 25 10.953 -7.310 -2.161 1.00 1.00 C ATOM 336 CG MET A 25 10.154 -8.531 -1.703 1.00 1.00 C ATOM 337 SD MET A 25 9.809 -9.591 -3.131 1.00 1.00 S ATOM 338 CE MET A 25 8.680 -8.476 -4.007 1.00 1.00 C ATOM 0 H MET A 25 9.422 -5.494 -1.051 1.00 1.00 H new ATOM 0 HA MET A 25 11.807 -7.025 -0.194 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.374 -6.737 -2.885 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.865 -7.630 -2.665 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.715 -9.086 -0.951 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.221 -8.215 -1.236 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.869 -9.054 -4.449 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.268 -7.750 -3.306 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.223 -7.952 -4.794 1.00 1.00 H new ATOM 348 N LYS A 26 13.524 -5.468 -1.141 1.00 1.00 N ATOM 349 CA LYS A 26 14.525 -4.479 -1.546 1.00 1.00 C ATOM 350 C LYS A 26 15.728 -5.186 -2.156 1.00 1.00 C ATOM 351 O LYS A 26 16.024 -6.332 -1.819 1.00 1.00 O ATOM 352 CB LYS A 26 14.981 -3.631 -0.354 1.00 1.00 C ATOM 353 CG LYS A 26 13.820 -2.773 0.145 1.00 1.00 C ATOM 354 CD LYS A 26 14.298 -1.916 1.316 1.00 1.00 C ATOM 355 CE LYS A 26 13.140 -1.063 1.829 1.00 1.00 C ATOM 356 NZ LYS A 26 13.600 -0.237 2.980 1.00 1.00 N ATOM 0 H LYS A 26 13.905 -6.272 -0.642 1.00 1.00 H new ATOM 0 HA LYS A 26 14.070 -3.818 -2.283 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.339 -4.277 0.448 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.816 -2.994 -0.647 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.449 -2.137 -0.659 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.991 -3.408 0.458 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.677 -2.553 2.116 1.00 1.00 H new ATOM 0 HD3 LYS A 26 15.122 -1.277 1.000 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.768 -0.419 1.032 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.312 -1.702 2.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 13.225 0.729 2.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.257 -0.657 3.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.639 -0.206 2.991 1.00 1.00 H new ATOM 370 N GLY A 27 16.405 -4.496 -3.064 1.00 1.00 N ATOM 371 CA GLY A 27 17.575 -5.049 -3.740 1.00 1.00 C ATOM 372 C GLY A 27 18.401 -5.970 -2.835 1.00 1.00 C ATOM 373 O GLY A 27 18.496 -7.173 -3.084 1.00 1.00 O ATOM 0 H GLY A 27 16.164 -3.548 -3.352 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.252 -5.605 -4.620 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.205 -4.233 -4.093 1.00 1.00 H new ATOM 377 N PRO A 28 19.020 -5.424 -1.819 1.00 1.00 N ATOM 378 CA PRO A 28 19.891 -6.207 -0.883 1.00 1.00 C ATOM 379 C PRO A 28 19.134 -7.306 -0.120 1.00 1.00 C ATOM 380 O PRO A 28 19.701 -8.358 0.173 1.00 1.00 O ATOM 381 CB PRO A 28 20.461 -5.131 0.068 1.00 1.00 C ATOM 382 CG PRO A 28 19.505 -3.983 -0.022 1.00 1.00 C ATOM 383 CD PRO A 28 18.954 -4.003 -1.447 1.00 1.00 C ATOM 0 HA PRO A 28 20.664 -6.759 -1.418 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.532 -5.505 1.089 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.465 -4.832 -0.232 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.702 -4.086 0.708 1.00 1.00 H new ATOM 0 HG3 PRO A 28 20.008 -3.039 0.188 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.933 -3.624 -1.488 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.551 -3.384 -2.117 1.00 1.00 H new ATOM 391 N LEU A 29 17.861 -7.068 0.194 1.00 1.00 N ATOM 392 CA LEU A 29 17.064 -8.066 0.916 1.00 1.00 C ATOM 393 C LEU A 29 15.624 -7.586 1.083 1.00 1.00 C ATOM 394 O LEU A 29 15.239 -6.566 0.521 1.00 1.00 O ATOM 395 CB LEU A 29 17.675 -8.362 2.299 1.00 1.00 C ATOM 396 CG LEU A 29 18.169 -7.071 2.969 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.004 -6.091 3.161 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.767 -7.421 4.336 1.00 1.00 C ATOM 0 H LEU A 29 17.363 -6.208 -0.035 1.00 1.00 H new ATOM 0 HA LEU A 29 17.068 -8.983 0.327 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.931 -8.844 2.934 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.504 -9.061 2.192 1.00 1.00 H new ATOM 0 HG LEU A 29 18.922 -6.602 2.336 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.369 -5.181 3.637 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.572 -5.845 2.191 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.243 -6.550 3.792 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.121 -6.512 4.822 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.004 -7.891 4.957 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.601 -8.110 4.203 1.00 1.00 H new ATOM 410 N ARG A 30 14.827 -8.325 1.860 1.00 1.00 N ATOM 411 CA ARG A 30 13.428 -7.956 2.094 1.00 1.00 C ATOM 412 C ARG A 30 13.146 -7.853 3.585 1.00 1.00 C ATOM 413 O ARG A 30 13.959 -8.254 4.416 1.00 1.00 O ATOM 414 CB ARG A 30 12.491 -8.984 1.457 1.00 1.00 C ATOM 415 CG ARG A 30 12.625 -10.337 2.161 1.00 1.00 C ATOM 416 CD ARG A 30 11.685 -11.331 1.494 1.00 1.00 C ATOM 417 NE ARG A 30 11.749 -12.614 2.184 1.00 1.00 N ATOM 418 CZ ARG A 30 12.661 -13.527 1.865 1.00 1.00 C ATOM 419 NH1 ARG A 30 13.484 -13.316 0.873 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.731 -14.639 2.544 1.00 1.00 N ATOM 0 H ARG A 30 15.124 -9.177 2.335 1.00 1.00 H new ATOM 0 HA ARG A 30 13.250 -6.984 1.635 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.460 -8.634 1.520 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.726 -9.093 0.398 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.654 -10.693 2.103 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.381 -10.238 3.219 1.00 1.00 H new ATOM 0 HD2 ARG A 30 10.664 -10.949 1.513 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.959 -11.457 0.447 1.00 1.00 H new ATOM 0 HE ARG A 30 11.080 -12.815 2.927 1.00 1.00 H new ATOM 0 HH11 ARG A 30 13.428 -12.448 0.340 1.00 1.00 H new ATOM 0 HH12 ARG A 30 14.182 -14.019 0.631 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.087 -14.806 3.317 1.00 1.00 H new ATOM 0 HH22 ARG A 30 13.430 -15.341 2.302 1.00 1.00 H new ATOM 434 N GLU A 31 11.981 -7.310 3.913 1.00 1.00 N ATOM 435 CA GLU A 31 11.578 -7.146 5.306 1.00 1.00 C ATOM 436 C GLU A 31 10.051 -7.155 5.406 1.00 1.00 C ATOM 437 O GLU A 31 9.376 -6.643 4.513 1.00 1.00 O ATOM 438 CB GLU A 31 12.114 -5.815 5.840 1.00 1.00 C ATOM 439 CG GLU A 31 11.466 -4.665 5.062 1.00 1.00 C ATOM 440 CD GLU A 31 12.172 -3.350 5.374 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.881 -3.300 6.366 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.989 -2.411 4.619 1.00 1.00 O ATOM 0 H GLU A 31 11.297 -6.975 3.234 1.00 1.00 H new ATOM 0 HA GLU A 31 11.984 -7.967 5.897 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.894 -5.721 6.903 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.198 -5.777 5.734 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.516 -4.867 3.992 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.410 -4.590 5.323 1.00 1.00 H new ATOM 449 N PRO A 32 9.481 -7.709 6.453 1.00 1.00 N ATOM 450 CA PRO A 32 7.997 -7.743 6.602 1.00 1.00 C ATOM 451 C PRO A 32 7.419 -6.333 6.678 1.00 1.00 C ATOM 452 O PRO A 32 8.018 -5.435 7.268 1.00 1.00 O ATOM 453 CB PRO A 32 7.765 -8.540 7.901 1.00 1.00 C ATOM 454 CG PRO A 32 9.059 -8.460 8.650 1.00 1.00 C ATOM 455 CD PRO A 32 10.160 -8.349 7.593 1.00 1.00 C ATOM 0 HA PRO A 32 7.497 -8.205 5.751 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.947 -8.115 8.483 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.499 -9.575 7.685 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.070 -7.597 9.316 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.204 -9.344 9.271 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.998 -7.750 7.948 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.559 -9.327 7.325 1.00 1.00 H new ATOM 463 N CYS A 33 6.257 -6.144 6.062 1.00 1.00 N ATOM 464 CA CYS A 33 5.611 -4.839 6.044 1.00 1.00 C ATOM 465 C CYS A 33 4.104 -4.991 5.874 1.00 1.00 C ATOM 466 O CYS A 33 3.577 -6.102 5.864 1.00 1.00 O ATOM 467 CB CYS A 33 6.175 -4.009 4.888 1.00 1.00 C ATOM 468 SG CYS A 33 5.497 -4.613 3.319 1.00 1.00 S ATOM 0 H CYS A 33 5.745 -6.877 5.570 1.00 1.00 H new ATOM 0 HA CYS A 33 5.807 -4.336 6.991 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.922 -2.958 5.024 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.263 -4.076 4.876 1.00 1.00 H new ATOM 0 HG CYS A 33 5.008 -3.615 2.645 1.00 1.00 H new ATOM 474 N ALA A 34 3.415 -3.865 5.732 1.00 1.00 N ATOM 475 CA ALA A 34 1.970 -3.880 5.550 1.00 1.00 C ATOM 476 C ALA A 34 1.515 -2.621 4.827 1.00 1.00 C ATOM 477 O ALA A 34 1.983 -1.521 5.119 1.00 1.00 O ATOM 478 CB ALA A 34 1.270 -3.980 6.907 1.00 1.00 C ATOM 0 H ALA A 34 3.832 -2.934 5.739 1.00 1.00 H new ATOM 0 HA ALA A 34 1.705 -4.748 4.947 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.190 -3.990 6.759 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.577 -4.898 7.408 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.544 -3.123 7.522 1.00 1.00 H new ATOM 484 N LEU A 35 0.595 -2.792 3.879 1.00 1.00 N ATOM 485 CA LEU A 35 0.071 -1.668 3.107 1.00 1.00 C ATOM 486 C LEU A 35 -1.382 -1.412 3.483 1.00 1.00 C ATOM 487 O LEU A 35 -2.227 -2.300 3.372 1.00 1.00 O ATOM 488 CB LEU A 35 0.180 -1.969 1.603 1.00 1.00 C ATOM 489 CG LEU A 35 1.665 -2.179 1.202 1.00 1.00 C ATOM 490 CD1 LEU A 35 2.038 -3.668 1.287 1.00 1.00 C ATOM 491 CD2 LEU A 35 1.893 -1.689 -0.236 1.00 1.00 C ATOM 0 H LEU A 35 0.198 -3.697 3.628 1.00 1.00 H new ATOM 0 HA LEU A 35 0.657 -0.777 3.333 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.399 -2.860 1.361 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.246 -1.146 1.029 1.00 1.00 H new ATOM 0 HG LEU A 35 2.290 -1.610 1.890 1.00 1.00 H new ATOM 0 HD11 LEU A 35 3.082 -3.798 1.003 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.893 -4.022 2.308 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.404 -4.241 0.611 1.00 1.00 H new ATOM 0 HD21 LEU A 35 2.937 -1.839 -0.510 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.254 -2.251 -0.917 1.00 1.00 H new ATOM 0 HD23 LEU A 35 1.650 -0.629 -0.302 1.00 1.00 H new ATOM 503 N THR A 36 -1.668 -0.190 3.942 1.00 1.00 N ATOM 504 CA THR A 36 -3.026 0.176 4.349 1.00 1.00 C ATOM 505 C THR A 36 -3.529 1.391 3.588 1.00 1.00 C ATOM 506 O THR A 36 -3.011 2.497 3.737 1.00 1.00 O ATOM 507 CB THR A 36 -3.055 0.466 5.851 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.645 -0.694 6.561 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.475 0.851 6.274 1.00 1.00 C ATOM 0 H THR A 36 -0.981 0.558 4.040 1.00 1.00 H new ATOM 0 HA THR A 36 -3.682 -0.664 4.119 1.00 1.00 H new ATOM 0 HB THR A 36 -2.378 1.290 6.075 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.507 -0.468 7.505 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.493 1.057 7.344 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.789 1.741 5.728 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.156 0.030 6.051 1.00 1.00 H new ATOM 517 N LEU A 37 -4.570 1.173 2.790 1.00 1.00 N ATOM 518 CA LEU A 37 -5.176 2.245 2.018 1.00 1.00 C ATOM 519 C LEU A 37 -6.123 3.031 2.909 1.00 1.00 C ATOM 520 O LEU A 37 -6.967 2.448 3.590 1.00 1.00 O ATOM 521 CB LEU A 37 -5.940 1.653 0.827 1.00 1.00 C ATOM 522 CG LEU A 37 -6.685 2.756 0.058 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.699 3.841 -0.399 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.387 2.139 -1.166 1.00 1.00 C ATOM 0 H LEU A 37 -5.010 0.261 2.663 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.400 2.912 1.642 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.245 1.143 0.160 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.650 0.905 1.179 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.427 3.212 0.713 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.238 4.617 -0.943 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.212 4.280 0.472 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.946 3.397 -1.051 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.916 2.919 -1.713 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.644 1.679 -1.818 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.098 1.382 -0.835 1.00 1.00 H new ATOM 536 N ALA A 38 -5.978 4.354 2.919 1.00 1.00 N ATOM 537 CA ALA A 38 -6.833 5.192 3.755 1.00 1.00 C ATOM 538 C ALA A 38 -7.153 6.517 3.074 1.00 1.00 C ATOM 539 O ALA A 38 -6.377 7.020 2.261 1.00 1.00 O ATOM 540 CB ALA A 38 -6.148 5.456 5.099 1.00 1.00 C ATOM 0 H ALA A 38 -5.288 4.863 2.367 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.770 4.659 3.917 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.791 6.082 5.718 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.966 4.509 5.607 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.199 5.966 4.930 1.00 1.00 H new ATOM 546 N GLN A 39 -8.312 7.076 3.423 1.00 1.00 N ATOM 547 CA GLN A 39 -8.766 8.351 2.862 1.00 1.00 C ATOM 548 C GLN A 39 -8.706 9.438 3.932 1.00 1.00 C ATOM 549 O GLN A 39 -9.319 9.307 4.992 1.00 1.00 O ATOM 550 CB GLN A 39 -10.207 8.194 2.358 1.00 1.00 C ATOM 551 CG GLN A 39 -10.684 9.492 1.696 1.00 1.00 C ATOM 552 CD GLN A 39 -12.145 9.350 1.276 1.00 1.00 C ATOM 553 OE1 GLN A 39 -13.085 9.830 2.045 1.00 1.00 O flip ATOM 554 NE2 GLN A 39 -12.438 8.777 0.228 1.00 1.00 N flip ATOM 0 H GLN A 39 -8.958 6.663 4.096 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.119 8.637 2.033 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.262 7.372 1.644 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.864 7.939 3.189 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.574 10.326 2.389 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.066 9.716 0.827 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.703 8.403 -0.371 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -13.416 8.676 -0.042 1.00 1.00 H new ATOM 563 N ARG A 40 -7.967 10.517 3.659 1.00 1.00 N ATOM 564 CA ARG A 40 -7.848 11.613 4.626 1.00 1.00 C ATOM 565 C ARG A 40 -8.018 12.964 3.934 1.00 1.00 C ATOM 566 O ARG A 40 -7.487 13.193 2.846 1.00 1.00 O ATOM 567 CB ARG A 40 -6.487 11.540 5.326 1.00 1.00 C ATOM 568 CG ARG A 40 -6.437 12.572 6.455 1.00 1.00 C ATOM 569 CD ARG A 40 -5.199 12.322 7.320 1.00 1.00 C ATOM 570 NE ARG A 40 -3.983 12.528 6.538 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.418 13.730 6.430 1.00 1.00 C ATOM 572 NH1 ARG A 40 -3.938 14.758 7.046 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.339 13.878 5.712 1.00 1.00 N ATOM 0 H ARG A 40 -7.449 10.655 2.791 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.638 11.511 5.370 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.325 10.539 5.727 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.687 11.730 4.610 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.407 13.580 6.040 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.339 12.505 7.064 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.205 12.994 8.178 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.220 11.305 7.711 1.00 1.00 H new ATOM 0 HE ARG A 40 -3.556 11.733 6.063 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -4.779 14.642 7.612 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -3.503 15.677 6.961 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.930 13.075 5.235 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.905 14.797 5.628 1.00 1.00 H new ATOM 587 N ASN A 41 -8.773 13.847 4.582 1.00 1.00 N ATOM 588 CA ASN A 41 -9.035 15.181 4.045 1.00 1.00 C ATOM 589 C ASN A 41 -9.744 15.108 2.693 1.00 1.00 C ATOM 590 O ASN A 41 -9.524 15.953 1.826 1.00 1.00 O ATOM 591 CB ASN A 41 -7.726 15.956 3.890 1.00 1.00 C ATOM 592 CG ASN A 41 -6.961 15.963 5.208 1.00 1.00 C ATOM 593 OD1 ASN A 41 -5.680 15.730 5.207 1.00 1.00 O flip ATOM 594 ND2 ASN A 41 -7.549 16.184 6.267 1.00 1.00 N flip ATOM 0 H ASN A 41 -9.216 13.663 5.482 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.686 15.698 4.750 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.116 15.502 3.109 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -7.935 16.979 3.577 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.553 16.366 6.265 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -7.032 16.185 7.147 1.00 1.00 H new ATOM 601 N GLY A 42 -10.602 14.107 2.521 1.00 1.00 N ATOM 602 CA GLY A 42 -11.340 13.962 1.269 1.00 1.00 C ATOM 603 C GLY A 42 -10.409 13.567 0.128 1.00 1.00 C ATOM 604 O GLY A 42 -10.700 13.816 -1.042 1.00 1.00 O ATOM 0 H GLY A 42 -10.802 13.393 3.221 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.118 13.207 1.386 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.840 14.900 1.027 1.00 1.00 H new ATOM 608 N GLN A 43 -9.284 12.954 0.483 1.00 1.00 N ATOM 609 CA GLN A 43 -8.291 12.523 -0.498 1.00 1.00 C ATOM 610 C GLN A 43 -7.864 11.089 -0.210 1.00 1.00 C ATOM 611 O GLN A 43 -7.860 10.659 0.937 1.00 1.00 O ATOM 612 CB GLN A 43 -7.082 13.461 -0.419 1.00 1.00 C ATOM 613 CG GLN A 43 -5.928 12.912 -1.258 1.00 1.00 C ATOM 614 CD GLN A 43 -4.820 13.958 -1.352 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.057 15.137 -1.092 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.618 13.596 -1.709 1.00 1.00 N ATOM 0 H GLN A 43 -9.035 12.743 1.449 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.719 12.560 -1.500 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.359 14.453 -0.775 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.766 13.571 0.618 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.541 11.997 -0.808 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.282 12.652 -2.256 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.423 12.618 -1.924 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -2.874 14.291 -1.773 1.00 1.00 H new ATOM 625 N TYR A 44 -7.490 10.355 -1.256 1.00 1.00 N ATOM 626 CA TYR A 44 -7.052 8.972 -1.089 1.00 1.00 C ATOM 627 C TYR A 44 -5.539 8.925 -0.912 1.00 1.00 C ATOM 628 O TYR A 44 -4.796 9.519 -1.693 1.00 1.00 O ATOM 629 CB TYR A 44 -7.446 8.146 -2.315 1.00 1.00 C ATOM 630 CG TYR A 44 -8.938 7.899 -2.310 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.815 8.902 -2.741 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.443 6.664 -1.880 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.197 8.669 -2.744 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.823 6.434 -1.882 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.701 7.436 -2.314 1.00 1.00 C ATOM 636 OH TYR A 44 -13.062 7.209 -2.317 1.00 1.00 O ATOM 0 H TYR A 44 -7.481 10.691 -2.219 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.534 8.556 -0.204 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.158 8.671 -3.226 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.911 7.196 -2.312 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.427 9.854 -3.071 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.767 5.890 -1.547 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.874 9.441 -3.078 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.212 5.483 -1.550 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.243 6.303 -1.990 1.00 1.00 H new ATOM 646 N GLU A 45 -5.085 8.215 0.119 1.00 1.00 N ATOM 647 CA GLU A 45 -3.655 8.093 0.387 1.00 1.00 C ATOM 648 C GLU A 45 -3.329 6.696 0.895 1.00 1.00 C ATOM 649 O GLU A 45 -4.106 6.093 1.638 1.00 1.00 O ATOM 650 CB GLU A 45 -3.211 9.151 1.408 1.00 1.00 C ATOM 651 CG GLU A 45 -3.812 8.852 2.785 1.00 1.00 C ATOM 652 CD GLU A 45 -3.447 9.971 3.756 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.479 11.120 3.345 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.136 9.663 4.895 1.00 1.00 O ATOM 0 H GLU A 45 -5.684 7.718 0.779 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.112 8.259 -0.543 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.123 9.167 1.475 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.524 10.141 1.075 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.896 8.762 2.708 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.439 7.898 3.157 1.00 1.00 H new ATOM 661 N LEU A 46 -2.174 6.185 0.483 1.00 1.00 N ATOM 662 CA LEU A 46 -1.729 4.851 0.883 1.00 1.00 C ATOM 663 C LEU A 46 -0.634 4.951 1.938 1.00 1.00 C ATOM 664 O LEU A 46 0.349 5.666 1.760 1.00 1.00 O ATOM 665 CB LEU A 46 -1.203 4.106 -0.352 1.00 1.00 C ATOM 666 CG LEU A 46 -0.608 2.748 0.050 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.647 1.921 0.818 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.183 1.992 -1.213 1.00 1.00 C ATOM 0 H LEU A 46 -1.524 6.676 -0.131 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.569 4.304 1.311 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.013 3.957 -1.066 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.444 4.708 -0.851 1.00 1.00 H new ATOM 0 HG LEU A 46 0.257 2.911 0.693 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.213 0.961 1.097 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.948 2.459 1.717 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.519 1.755 0.186 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.240 1.027 -0.934 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -1.051 1.836 -1.853 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.565 2.574 -1.751 1.00 1.00 H new ATOM 680 N ILE A 47 -0.808 4.222 3.042 1.00 1.00 N ATOM 681 CA ILE A 47 0.177 4.230 4.125 1.00 1.00 C ATOM 682 C ILE A 47 1.003 2.953 4.103 1.00 1.00 C ATOM 683 O ILE A 47 0.456 1.850 4.120 1.00 1.00 O ATOM 684 CB ILE A 47 -0.533 4.325 5.477 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.394 5.590 5.526 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.514 4.379 6.594 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.295 5.542 6.763 1.00 1.00 C ATOM 0 H ILE A 47 -1.616 3.622 3.209 1.00 1.00 H new ATOM 0 HA ILE A 47 0.830 5.091 3.983 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.172 3.452 5.611 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.759 6.475 5.559 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.000 5.666 4.623 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.013 4.447 7.560 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.124 3.476 6.565 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.151 5.252 6.454 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.909 6.442 6.801 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.939 4.664 6.710 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.679 5.486 7.660 1.00 1.00 H new ATOM 699 N ILE A 48 2.326 3.103 4.082 1.00 1.00 N ATOM 700 CA ILE A 48 3.227 1.951 4.078 1.00 1.00 C ATOM 701 C ILE A 48 3.816 1.759 5.468 1.00 1.00 C ATOM 702 O ILE A 48 4.516 2.631 5.982 1.00 1.00 O ATOM 703 CB ILE A 48 4.358 2.174 3.071 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.772 2.545 1.698 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.201 0.900 2.952 1.00 1.00 C ATOM 706 CD1 ILE A 48 2.778 1.476 1.227 1.00 1.00 C ATOM 0 H ILE A 48 2.797 4.008 4.068 1.00 1.00 H new ATOM 0 HA ILE A 48 2.665 1.061 3.793 1.00 1.00 H new ATOM 0 HB ILE A 48 4.991 2.991 3.418 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.272 3.512 1.759 1.00 1.00 H new ATOM 0 HG13 ILE A 48 4.576 2.648 0.969 1.00 1.00 H new ATOM 0 HG21 ILE A 48 6.005 1.062 2.234 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.627 0.653 3.925 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.572 0.078 2.612 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.375 1.757 0.254 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.288 0.516 1.145 1.00 1.00 H new ATOM 0 HD13 ILE A 48 1.964 1.394 1.947 1.00 1.00 H new ATOM 718 N GLN A 49 3.520 0.614 6.077 1.00 1.00 N ATOM 719 CA GLN A 49 4.014 0.308 7.418 1.00 1.00 C ATOM 720 C GLN A 49 5.089 -0.761 7.367 1.00 1.00 C ATOM 721 O GLN A 49 4.889 -1.826 6.791 1.00 1.00 O ATOM 722 CB GLN A 49 2.866 -0.184 8.290 1.00 1.00 C ATOM 723 CG GLN A 49 1.905 0.970 8.557 1.00 1.00 C ATOM 724 CD GLN A 49 0.806 0.513 9.501 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.063 -0.271 9.122 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.815 0.942 10.732 1.00 1.00 N ATOM 0 H GLN A 49 2.941 -0.117 5.664 1.00 1.00 H new ATOM 0 HA GLN A 49 4.440 1.218 7.839 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.342 -1.001 7.794 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.251 -0.577 9.231 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.444 1.812 8.991 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.471 1.319 7.620 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.538 1.592 11.040 1.00 1.00 H new ATOM 0 HE22 GLN A 49 0.099 0.628 11.387 1.00 1.00 H new ATOM 735 N LEU A 50 6.227 -0.479 7.989 1.00 1.00 N ATOM 736 CA LEU A 50 7.339 -1.431 8.033 1.00 1.00 C ATOM 737 C LEU A 50 7.441 -2.023 9.434 1.00 1.00 C ATOM 738 O LEU A 50 7.456 -1.296 10.427 1.00 1.00 O ATOM 739 CB LEU A 50 8.657 -0.724 7.662 1.00 1.00 C ATOM 740 CG LEU A 50 8.851 -0.722 6.141 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.636 -0.087 5.459 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.110 0.077 5.798 1.00 1.00 C ATOM 0 H LEU A 50 6.408 0.401 8.472 1.00 1.00 H new ATOM 0 HA LEU A 50 7.158 -2.230 7.314 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.646 0.300 8.035 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.496 -1.229 8.142 1.00 1.00 H new ATOM 0 HG LEU A 50 8.958 -1.748 5.788 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.782 -0.090 4.379 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.741 -0.658 5.705 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.519 0.939 5.807 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.254 0.083 4.718 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.999 1.101 6.155 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.974 -0.383 6.277 1.00 1.00 H new ATOM 754 N HIS A 51 7.506 -3.348 9.506 1.00 1.00 N ATOM 755 CA HIS A 51 7.602 -4.026 10.793 1.00 1.00 C ATOM 756 C HIS A 51 8.591 -3.309 11.704 1.00 1.00 C ATOM 757 O HIS A 51 9.796 -3.552 11.632 1.00 1.00 O ATOM 758 CB HIS A 51 8.058 -5.468 10.587 1.00 1.00 C ATOM 759 CG HIS A 51 7.934 -6.228 11.879 1.00 1.00 C ATOM 760 ND1 HIS A 51 8.903 -6.164 12.869 1.00 1.00 N ATOM 761 CD2 HIS A 51 6.966 -7.077 12.356 1.00 1.00 C ATOM 762 CE1 HIS A 51 8.501 -6.954 13.881 1.00 1.00 C ATOM 763 NE2 HIS A 51 7.326 -7.534 13.620 1.00 1.00 N ATOM 0 H HIS A 51 7.494 -3.969 8.697 1.00 1.00 H new ATOM 0 HA HIS A 51 6.618 -4.016 11.262 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.454 -5.944 9.815 1.00 1.00 H new ATOM 0 HB3 HIS A 51 9.091 -5.487 10.240 1.00 1.00 H new ATOM 0 HD1 HIS A 51 9.764 -5.618 12.836 1.00 1.00 H new ATOM 0 HD2 HIS A 51 6.063 -7.349 11.830 1.00 1.00 H new ATOM 0 HE1 HIS A 51 9.060 -7.101 14.793 1.00 1.00 H new ATOM 771 N GLU A 52 8.072 -2.425 12.555 1.00 1.00 N ATOM 772 CA GLU A 52 8.913 -1.673 13.483 1.00 1.00 C ATOM 773 C GLU A 52 10.059 -2.540 14.009 1.00 1.00 C ATOM 774 O GLU A 52 9.893 -3.306 14.957 1.00 1.00 O ATOM 775 CB GLU A 52 8.067 -1.166 14.656 1.00 1.00 C ATOM 776 CG GLU A 52 7.072 -2.252 15.079 1.00 1.00 C ATOM 777 CD GLU A 52 6.290 -1.797 16.307 1.00 1.00 C ATOM 778 OE1 GLU A 52 5.969 -0.624 16.380 1.00 1.00 O ATOM 779 OE2 GLU A 52 6.022 -2.633 17.155 1.00 1.00 O ATOM 0 H GLU A 52 7.076 -2.213 12.621 1.00 1.00 H new ATOM 0 HA GLU A 52 9.341 -0.825 12.948 1.00 1.00 H new ATOM 0 HB2 GLU A 52 8.711 -0.902 15.495 1.00 1.00 H new ATOM 0 HB3 GLU A 52 7.532 -0.261 14.368 1.00 1.00 H new ATOM 0 HG2 GLU A 52 6.385 -2.466 14.260 1.00 1.00 H new ATOM 0 HG3 GLU A 52 7.604 -3.178 15.299 1.00 1.00 H new ATOM 786 N LYS A 53 11.218 -2.410 13.381 1.00 1.00 N ATOM 787 CA LYS A 53 12.382 -3.182 13.789 1.00 1.00 C ATOM 788 C LYS A 53 12.757 -2.836 15.223 1.00 1.00 C ATOM 789 O LYS A 53 13.158 -3.705 15.997 1.00 1.00 O ATOM 790 CB LYS A 53 13.561 -2.885 12.859 1.00 1.00 C ATOM 791 CG LYS A 53 13.234 -3.373 11.446 1.00 1.00 C ATOM 792 CD LYS A 53 14.412 -3.067 10.517 1.00 1.00 C ATOM 793 CE LYS A 53 14.047 -3.435 9.077 1.00 1.00 C ATOM 794 NZ LYS A 53 13.781 -4.897 8.984 1.00 1.00 N ATOM 0 H LYS A 53 11.377 -1.782 12.593 1.00 1.00 H new ATOM 0 HA LYS A 53 12.140 -4.243 13.729 1.00 1.00 H new ATOM 0 HB2 LYS A 53 13.767 -1.815 12.847 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.461 -3.379 13.226 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.034 -4.444 11.457 1.00 1.00 H new ATOM 0 HG3 LYS A 53 12.331 -2.884 11.080 1.00 1.00 H new ATOM 0 HD2 LYS A 53 14.669 -2.010 10.578 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.292 -3.628 10.833 1.00 1.00 H new ATOM 0 HE2 LYS A 53 13.167 -2.875 8.760 1.00 1.00 H new ATOM 0 HE3 LYS A 53 14.859 -3.160 8.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.768 -5.185 7.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 14.529 -5.418 9.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 12.860 -5.111 9.418 1.00 1.00 H new ATOM 808 N GLU A 54 12.624 -1.558 15.572 1.00 1.00 N ATOM 809 CA GLU A 54 12.953 -1.100 16.925 1.00 1.00 C ATOM 810 C GLU A 54 12.085 0.087 17.332 1.00 1.00 C ATOM 811 O GLU A 54 11.977 0.408 18.514 1.00 1.00 O ATOM 812 CB GLU A 54 14.431 -0.706 16.997 1.00 1.00 C ATOM 813 CG GLU A 54 14.709 0.457 16.038 1.00 1.00 C ATOM 814 CD GLU A 54 16.193 0.804 16.064 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.795 0.662 17.116 1.00 1.00 O ATOM 816 OE2 GLU A 54 16.706 1.206 15.033 1.00 1.00 O ATOM 0 H GLU A 54 12.294 -0.825 14.944 1.00 1.00 H new ATOM 0 HA GLU A 54 12.758 -1.920 17.616 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.690 -0.418 18.016 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.057 -1.560 16.738 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.407 0.186 15.026 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.118 1.326 16.325 1.00 1.00 H new ATOM 823 N GLN A 55 11.469 0.742 16.347 1.00 1.00 N ATOM 824 CA GLN A 55 10.613 1.901 16.619 1.00 1.00 C ATOM 825 C GLN A 55 9.414 1.923 15.677 1.00 1.00 C ATOM 826 O GLN A 55 9.402 1.233 14.657 1.00 1.00 O ATOM 827 CB GLN A 55 11.416 3.196 16.451 1.00 1.00 C ATOM 828 CG GLN A 55 11.954 3.293 15.020 1.00 1.00 C ATOM 829 CD GLN A 55 12.749 4.581 14.848 1.00 1.00 C ATOM 830 OE1 GLN A 55 13.542 4.944 15.717 1.00 1.00 O ATOM 831 NE2 GLN A 55 12.582 5.300 13.771 1.00 1.00 N ATOM 0 H GLN A 55 11.545 0.494 15.361 1.00 1.00 H new ATOM 0 HA GLN A 55 10.252 1.824 17.645 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.785 4.057 16.671 1.00 1.00 H new ATOM 0 HB3 GLN A 55 12.242 3.217 17.162 1.00 1.00 H new ATOM 0 HG2 GLN A 55 12.587 2.433 14.802 1.00 1.00 H new ATOM 0 HG3 GLN A 55 11.128 3.268 14.310 1.00 1.00 H new ATOM 0 HE21 GLN A 55 11.924 4.997 13.052 1.00 1.00 H new ATOM 0 HE22 GLN A 55 13.109 6.165 13.648 1.00 1.00 H new ATOM 840 N HIS A 56 8.412 2.724 16.023 1.00 1.00 N ATOM 841 CA HIS A 56 7.219 2.832 15.193 1.00 1.00 C ATOM 842 C HIS A 56 7.554 3.550 13.890 1.00 1.00 C ATOM 843 O HIS A 56 7.943 4.718 13.901 1.00 1.00 O ATOM 844 CB HIS A 56 6.135 3.608 15.942 1.00 1.00 C ATOM 845 CG HIS A 56 6.585 5.028 16.146 1.00 1.00 C ATOM 846 ND1 HIS A 56 7.504 5.381 17.122 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.258 6.196 15.502 1.00 1.00 C ATOM 848 CE1 HIS A 56 7.698 6.710 17.038 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.963 7.256 16.066 1.00 1.00 N ATOM 0 H HIS A 56 8.402 3.302 16.863 1.00 1.00 H new ATOM 0 HA HIS A 56 6.854 1.830 14.966 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.203 3.588 15.377 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.935 3.137 16.904 1.00 1.00 H new ATOM 0 HD2 HIS A 56 5.560 6.280 14.682 1.00 1.00 H new ATOM 0 HE1 HIS A 56 8.366 7.267 17.678 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.926 8.239 15.795 1.00 1.00 H new ATOM 857 N VAL A 57 7.401 2.845 12.765 1.00 1.00 N ATOM 858 CA VAL A 57 7.694 3.428 11.450 1.00 1.00 C ATOM 859 C VAL A 57 6.447 3.420 10.575 1.00 1.00 C ATOM 860 O VAL A 57 5.769 2.400 10.450 1.00 1.00 O ATOM 861 CB VAL A 57 8.809 2.634 10.763 1.00 1.00 C ATOM 862 CG1 VAL A 57 10.112 2.791 11.552 1.00 1.00 C ATOM 863 CG2 VAL A 57 8.427 1.152 10.704 1.00 1.00 C ATOM 0 H VAL A 57 7.079 1.878 12.737 1.00 1.00 H new ATOM 0 HA VAL A 57 8.019 4.459 11.592 1.00 1.00 H new ATOM 0 HB VAL A 57 8.947 3.013 9.751 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.904 2.225 11.062 1.00 1.00 H new ATOM 0 HG12 VAL A 57 10.389 3.844 11.591 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.971 2.415 12.565 1.00 1.00 H new ATOM 0 HG21 VAL A 57 9.223 0.590 10.215 1.00 1.00 H new ATOM 0 HG22 VAL A 57 8.284 0.772 11.716 1.00 1.00 H new ATOM 0 HG23 VAL A 57 7.502 1.037 10.140 1.00 1.00 H new ATOM 873 N GLN A 58 6.151 4.570 9.973 1.00 1.00 N ATOM 874 CA GLN A 58 4.980 4.694 9.111 1.00 1.00 C ATOM 875 C GLN A 58 5.208 5.752 8.036 1.00 1.00 C ATOM 876 O GLN A 58 5.213 6.950 8.319 1.00 1.00 O ATOM 877 CB GLN A 58 3.760 5.073 9.952 1.00 1.00 C ATOM 878 CG GLN A 58 2.524 5.164 9.054 1.00 1.00 C ATOM 879 CD GLN A 58 1.282 5.403 9.904 1.00 1.00 C ATOM 880 OE1 GLN A 58 0.319 4.523 9.892 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 1.186 6.415 10.596 1.00 1.00 N flip ATOM 0 H GLN A 58 6.702 5.423 10.066 1.00 1.00 H new ATOM 0 HA GLN A 58 4.807 3.735 8.623 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.600 4.330 10.734 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.931 6.028 10.450 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.645 5.974 8.335 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.412 4.244 8.481 1.00 1.00 H new ATOM 0 HE21 GLN A 58 1.941 7.101 10.603 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.352 6.568 11.163 1.00 1.00 H new ATOM 890 N ASP A 59 5.377 5.296 6.798 1.00 1.00 N ATOM 891 CA ASP A 59 5.587 6.200 5.667 1.00 1.00 C ATOM 892 C ASP A 59 4.265 6.439 4.946 1.00 1.00 C ATOM 893 O ASP A 59 3.655 5.505 4.428 1.00 1.00 O ATOM 894 CB ASP A 59 6.599 5.593 4.696 1.00 1.00 C ATOM 895 CG ASP A 59 7.992 5.618 5.315 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.183 6.360 6.264 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.845 4.890 4.835 1.00 1.00 O ATOM 0 H ASP A 59 5.373 4.306 6.551 1.00 1.00 H new ATOM 0 HA ASP A 59 5.972 7.150 6.038 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.316 4.568 4.456 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.598 6.151 3.760 1.00 1.00 H new ATOM 902 N ILE A 60 3.815 7.691 4.924 1.00 1.00 N ATOM 903 CA ILE A 60 2.551 8.026 4.270 1.00 1.00 C ATOM 904 C ILE A 60 2.798 8.451 2.828 1.00 1.00 C ATOM 905 O ILE A 60 3.421 9.480 2.570 1.00 1.00 O ATOM 906 CB ILE A 60 1.876 9.169 5.031 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.578 8.716 6.463 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.566 9.546 4.339 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.180 9.927 7.312 1.00 1.00 C ATOM 0 H ILE A 60 4.300 8.483 5.346 1.00 1.00 H new ATOM 0 HA ILE A 60 1.906 7.148 4.272 1.00 1.00 H new ATOM 0 HB ILE A 60 2.539 10.034 5.047 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.774 7.979 6.463 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.455 8.231 6.892 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.088 10.360 4.884 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.773 9.865 3.317 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.098 8.682 4.322 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.968 9.603 8.331 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.997 10.648 7.323 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.291 10.393 6.887 1.00 1.00 H new ATOM 921 N ILE A 61 2.302 7.643 1.889 1.00 1.00 N ATOM 922 CA ILE A 61 2.465 7.923 0.460 1.00 1.00 C ATOM 923 C ILE A 61 1.112 8.303 -0.162 1.00 1.00 C ATOM 924 O ILE A 61 0.193 7.486 -0.167 1.00 1.00 O ATOM 925 CB ILE A 61 3.007 6.674 -0.246 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.224 6.126 0.519 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.417 7.034 -1.678 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.264 7.235 0.743 1.00 1.00 C ATOM 0 H ILE A 61 1.783 6.788 2.092 1.00 1.00 H new ATOM 0 HA ILE A 61 3.163 8.752 0.340 1.00 1.00 H new ATOM 0 HB ILE A 61 2.230 5.910 -0.271 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.905 5.720 1.479 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.673 5.306 -0.041 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.802 6.147 -2.180 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.550 7.411 -2.221 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.191 7.801 -1.653 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.118 6.829 1.286 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.597 7.622 -0.220 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.816 8.042 1.323 1.00 1.00 H new ATOM 940 N PRO A 62 0.944 9.509 -0.675 1.00 1.00 N ATOM 941 CA PRO A 62 -0.355 9.934 -1.276 1.00 1.00 C ATOM 942 C PRO A 62 -0.600 9.305 -2.649 1.00 1.00 C ATOM 943 O PRO A 62 0.341 8.988 -3.378 1.00 1.00 O ATOM 944 CB PRO A 62 -0.234 11.460 -1.354 1.00 1.00 C ATOM 945 CG PRO A 62 1.230 11.719 -1.515 1.00 1.00 C ATOM 946 CD PRO A 62 1.950 10.595 -0.756 1.00 1.00 C ATOM 0 HA PRO A 62 -1.211 9.609 -0.684 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.801 11.859 -2.195 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.623 11.934 -0.453 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.512 11.720 -2.568 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.499 12.695 -1.112 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.846 10.269 -1.283 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.264 10.922 0.235 1.00 1.00 H new ATOM 954 N ILE A 63 -1.877 9.131 -2.989 1.00 1.00 N ATOM 955 CA ILE A 63 -2.257 8.540 -4.272 1.00 1.00 C ATOM 956 C ILE A 63 -2.504 9.630 -5.309 1.00 1.00 C ATOM 957 O ILE A 63 -3.346 10.509 -5.116 1.00 1.00 O ATOM 958 CB ILE A 63 -3.518 7.690 -4.092 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.182 6.493 -3.198 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.008 7.187 -5.455 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.463 5.779 -2.755 1.00 1.00 C ATOM 0 H ILE A 63 -2.665 9.390 -2.395 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.443 7.907 -4.625 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.303 8.292 -3.633 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.539 5.798 -3.737 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.625 6.829 -2.324 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.905 6.583 -5.319 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.237 8.038 -6.096 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.230 6.581 -5.920 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.206 4.931 -2.120 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.092 6.473 -2.197 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.004 5.425 -3.632 1.00 1.00 H new ATOM 973 N ASN A 64 -1.761 9.564 -6.408 1.00 1.00 N ATOM 974 CA ASN A 64 -1.897 10.547 -7.475 1.00 1.00 C ATOM 975 C ASN A 64 -1.102 10.112 -8.703 1.00 1.00 C ATOM 976 O ASN A 64 -0.720 8.951 -8.828 1.00 1.00 O ATOM 977 CB ASN A 64 -1.408 11.914 -6.996 1.00 1.00 C ATOM 978 CG ASN A 64 0.041 11.816 -6.533 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.685 10.784 -6.716 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.597 12.839 -5.941 1.00 1.00 N ATOM 0 H ASN A 64 -1.061 8.843 -6.583 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.950 10.621 -7.747 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.492 12.643 -7.802 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.036 12.268 -6.179 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.567 12.783 -5.630 1.00 1.00 H new ATOM 0 HD22 ASN A 64 0.061 13.694 -5.790 1.00 1.00 H new ATOM 987 N SER A 65 -0.863 11.050 -9.611 1.00 1.00 N ATOM 988 CA SER A 65 -0.120 10.747 -10.829 1.00 1.00 C ATOM 989 C SER A 65 1.275 10.218 -10.501 1.00 1.00 C ATOM 990 O SER A 65 1.759 9.286 -11.142 1.00 1.00 O ATOM 991 CB SER A 65 0.000 12.000 -11.691 1.00 1.00 C ATOM 992 OG SER A 65 -1.302 12.471 -12.018 1.00 1.00 O ATOM 0 H SER A 65 -1.170 12.019 -9.529 1.00 1.00 H new ATOM 0 HA SER A 65 -0.664 9.977 -11.376 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.555 12.771 -11.157 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.558 11.778 -12.601 1.00 1.00 H new ATOM 0 HG SER A 65 -1.229 13.277 -12.570 1.00 1.00 H new ATOM 998 N HIS A 66 1.918 10.821 -9.508 1.00 1.00 N ATOM 999 CA HIS A 66 3.259 10.402 -9.113 1.00 1.00 C ATOM 1000 C HIS A 66 3.241 8.991 -8.525 1.00 1.00 C ATOM 1001 O HIS A 66 4.171 8.212 -8.732 1.00 1.00 O ATOM 1002 CB HIS A 66 3.828 11.379 -8.080 1.00 1.00 C ATOM 1003 CG HIS A 66 4.029 12.726 -8.718 1.00 1.00 C ATOM 1004 ND1 HIS A 66 5.140 13.019 -9.494 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.269 13.870 -8.705 1.00 1.00 C ATOM 1006 CE1 HIS A 66 5.020 14.294 -9.911 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.897 14.858 -9.458 1.00 1.00 N ATOM 0 H HIS A 66 1.537 11.596 -8.965 1.00 1.00 H new ATOM 0 HA HIS A 66 3.889 10.400 -10.002 1.00 1.00 H new ATOM 0 HB2 HIS A 66 3.148 11.465 -7.232 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.775 11.004 -7.693 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.327 13.985 -8.189 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.743 14.798 -10.535 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.570 15.809 -9.628 1.00 1.00 H new ATOM 1015 N PHE A 67 2.176 8.668 -7.792 1.00 1.00 N ATOM 1016 CA PHE A 67 2.041 7.349 -7.171 1.00 1.00 C ATOM 1017 C PHE A 67 1.223 6.424 -8.065 1.00 1.00 C ATOM 1018 O PHE A 67 0.135 6.778 -8.514 1.00 1.00 O ATOM 1019 CB PHE A 67 1.352 7.488 -5.807 1.00 1.00 C ATOM 1020 CG PHE A 67 0.971 6.122 -5.272 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.270 5.569 -5.605 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.855 5.410 -4.450 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.632 4.308 -5.119 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.493 4.148 -3.963 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.249 3.597 -4.298 1.00 1.00 C ATOM 0 H PHE A 67 1.395 9.299 -7.613 1.00 1.00 H new ATOM 0 HA PHE A 67 3.034 6.921 -7.036 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.018 7.989 -5.104 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.462 8.110 -5.902 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.951 6.117 -6.239 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.814 5.834 -4.192 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.591 3.884 -5.378 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.173 3.599 -3.329 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.029 2.623 -3.922 1.00 1.00 H new ATOM 1035 N ARG A 68 1.757 5.234 -8.317 1.00 1.00 N ATOM 1036 CA ARG A 68 1.071 4.256 -9.160 1.00 1.00 C ATOM 1037 C ARG A 68 1.142 2.860 -8.555 1.00 1.00 C ATOM 1038 O ARG A 68 2.128 2.490 -7.916 1.00 1.00 O ATOM 1039 CB ARG A 68 1.702 4.242 -10.550 1.00 1.00 C ATOM 1040 CG ARG A 68 1.320 5.514 -11.305 1.00 1.00 C ATOM 1041 CD ARG A 68 1.926 5.467 -12.708 1.00 1.00 C ATOM 1042 NE ARG A 68 3.376 5.612 -12.638 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.125 5.537 -13.734 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.569 5.284 -14.887 1.00 1.00 N ATOM 1045 NH2 ARG A 68 5.416 5.707 -13.653 1.00 1.00 N ATOM 0 H ARG A 68 2.657 4.922 -7.953 1.00 1.00 H new ATOM 0 HA ARG A 68 0.023 4.546 -9.231 1.00 1.00 H new ATOM 0 HB2 ARG A 68 2.786 4.170 -10.466 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.366 3.365 -11.103 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.235 5.602 -11.367 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.681 6.392 -10.769 1.00 1.00 H new ATOM 0 HD2 ARG A 68 1.671 4.523 -13.190 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.503 6.263 -13.321 1.00 1.00 H new ATOM 0 HE ARG A 68 3.822 5.773 -11.735 1.00 1.00 H new ATOM 0 HH11 ARG A 68 2.560 5.144 -14.947 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.143 5.226 -15.728 1.00 1.00 H new ATOM 0 HH21 ARG A 68 5.850 5.897 -12.750 1.00 1.00 H new ATOM 0 HH22 ARG A 68 5.992 5.650 -14.493 1.00 1.00 H new ATOM 1059 N CYS A 69 0.083 2.086 -8.781 1.00 1.00 N ATOM 1060 CA CYS A 69 -0.003 0.711 -8.284 1.00 1.00 C ATOM 1061 C CYS A 69 -0.044 -0.252 -9.463 1.00 1.00 C ATOM 1062 O CYS A 69 -1.027 -0.296 -10.202 1.00 1.00 O ATOM 1063 CB CYS A 69 -1.269 0.543 -7.439 1.00 1.00 C ATOM 1064 SG CYS A 69 -2.728 0.878 -8.457 1.00 1.00 S ATOM 0 H CYS A 69 -0.735 2.389 -9.309 1.00 1.00 H new ATOM 0 HA CYS A 69 0.870 0.495 -7.667 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -1.318 -0.469 -7.037 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.243 1.223 -6.588 1.00 1.00 H new ATOM 0 HG CYS A 69 -2.826 2.157 -8.667 1.00 1.00 H new ATOM 1070 N VAL A 70 1.037 -1.012 -9.648 1.00 1.00 N ATOM 1071 CA VAL A 70 1.125 -1.963 -10.762 1.00 1.00 C ATOM 1072 C VAL A 70 1.409 -3.370 -10.251 1.00 1.00 C ATOM 1073 O VAL A 70 2.254 -3.566 -9.378 1.00 1.00 O ATOM 1074 CB VAL A 70 2.235 -1.534 -11.721 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.007 -0.084 -12.163 1.00 1.00 C ATOM 1076 CG2 VAL A 70 3.586 -1.645 -11.015 1.00 1.00 C ATOM 0 H VAL A 70 1.860 -0.989 -9.046 1.00 1.00 H new ATOM 0 HA VAL A 70 0.169 -1.969 -11.286 1.00 1.00 H new ATOM 0 HB VAL A 70 2.225 -2.182 -12.597 1.00 1.00 H new ATOM 0 HG11 VAL A 70 2.801 0.217 -12.846 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.044 -0.005 -12.668 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.014 0.568 -11.289 1.00 1.00 H new ATOM 0 HG21 VAL A 70 4.379 -1.339 -11.697 1.00 1.00 H new ATOM 0 HG22 VAL A 70 3.592 -0.998 -10.138 1.00 1.00 H new ATOM 0 HG23 VAL A 70 3.751 -2.677 -10.706 1.00 1.00 H new ATOM 1086 N GLN A 71 0.685 -4.346 -10.799 1.00 1.00 N ATOM 1087 CA GLN A 71 0.844 -5.745 -10.397 1.00 1.00 C ATOM 1088 C GLN A 71 1.640 -6.525 -11.443 1.00 1.00 C ATOM 1089 O GLN A 71 1.249 -6.600 -12.608 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.540 -6.377 -10.225 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.404 -7.784 -9.642 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.785 -8.408 -9.481 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.075 -9.056 -8.387 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -2.624 -8.297 -10.374 1.00 1.00 N flip ATOM 0 H GLN A 71 -0.018 -4.194 -11.523 1.00 1.00 H new ATOM 0 HA GLN A 71 1.391 -5.781 -9.455 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.152 -5.759 -9.567 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -1.051 -6.421 -11.187 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.211 -8.402 -10.297 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.101 -7.741 -8.677 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.395 -7.790 -11.229 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.549 -8.712 -10.260 1.00 1.00 H new ATOM 1103 N GLU A 72 2.753 -7.113 -11.010 1.00 1.00 N ATOM 1104 CA GLU A 72 3.605 -7.901 -11.900 1.00 1.00 C ATOM 1105 C GLU A 72 3.779 -7.212 -13.242 1.00 1.00 C ATOM 1106 O GLU A 72 4.164 -7.838 -14.229 1.00 1.00 O ATOM 1107 CB GLU A 72 2.986 -9.274 -12.120 1.00 1.00 C ATOM 1108 CG GLU A 72 2.898 -9.983 -10.778 1.00 1.00 C ATOM 1109 CD GLU A 72 2.252 -11.354 -10.953 1.00 1.00 C ATOM 1110 OE1 GLU A 72 1.965 -11.711 -12.083 1.00 1.00 O ATOM 1111 OE2 GLU A 72 2.054 -12.025 -9.953 1.00 1.00 O ATOM 0 H GLU A 72 3.087 -7.059 -10.048 1.00 1.00 H new ATOM 0 HA GLU A 72 4.583 -8.002 -11.430 1.00 1.00 H new ATOM 0 HB2 GLU A 72 1.995 -9.176 -12.563 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.590 -9.855 -12.817 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.894 -10.093 -10.350 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.315 -9.384 -10.079 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.319 -5.615 -13.013 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.725 -6.003 -11.741 1.00 1.00 C ATOM 1231 C ASP A 80 -5.533 -7.125 -11.091 1.00 1.00 C ATOM 1232 O ASP A 80 -4.972 -8.074 -10.546 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.681 -4.798 -10.804 1.00 1.00 C ATOM 1234 CG ASP A 80 -6.093 -4.292 -10.529 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -6.976 -4.598 -11.313 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -6.272 -3.606 -9.536 1.00 1.00 O ATOM 0 HA ASP A 80 -3.712 -6.361 -11.926 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -4.197 -5.074 -9.867 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.083 -4.003 -11.250 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.856 -7.008 -11.158 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.740 -8.014 -10.578 1.00 1.00 C ATOM 1243 C ILE A 81 -7.633 -9.328 -11.347 1.00 1.00 C ATOM 1244 O ILE A 81 -7.924 -10.397 -10.810 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.185 -7.509 -10.612 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.325 -6.310 -9.672 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.138 -8.621 -10.163 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.667 -5.624 -9.925 1.00 1.00 C ATOM 0 H ILE A 81 -7.338 -6.229 -11.607 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.440 -8.191 -9.545 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.437 -7.211 -11.630 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.261 -6.637 -8.634 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.508 -5.608 -9.836 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.164 -8.254 -10.190 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.041 -9.476 -10.832 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.888 -8.926 -9.147 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.770 -4.769 -9.257 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.712 -5.284 -10.960 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.477 -6.329 -9.739 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.220 -9.237 -12.606 1.00 1.00 N ATOM 1261 CA ALA A 82 -7.083 -10.421 -13.447 1.00 1.00 C ATOM 1262 C ALA A 82 -6.049 -11.384 -12.870 1.00 1.00 C ATOM 1263 O ALA A 82 -6.143 -12.595 -13.066 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.660 -10.008 -14.856 1.00 1.00 C ATOM 0 H ALA A 82 -6.975 -8.360 -13.066 1.00 1.00 H new ATOM 0 HA ALA A 82 -8.048 -10.927 -13.483 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.559 -10.896 -15.480 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.414 -9.348 -15.283 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.704 -9.486 -14.811 1.00 1.00 H new ATOM 1270 N SER A 83 -5.062 -10.841 -12.160 1.00 1.00 N ATOM 1271 CA SER A 83 -4.006 -11.657 -11.556 1.00 1.00 C ATOM 1272 C SER A 83 -4.063 -11.557 -10.040 1.00 1.00 C ATOM 1273 O SER A 83 -4.068 -10.464 -9.475 1.00 1.00 O ATOM 1274 CB SER A 83 -2.638 -11.185 -12.046 1.00 1.00 C ATOM 1275 OG SER A 83 -1.623 -11.923 -11.381 1.00 1.00 O ATOM 0 H SER A 83 -4.970 -9.840 -11.988 1.00 1.00 H new ATOM 0 HA SER A 83 -4.159 -12.695 -11.850 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.557 -11.323 -13.124 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.516 -10.119 -11.851 1.00 1.00 H new ATOM 0 HG SER A 83 -0.743 -11.625 -11.694 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.108 -12.713 -9.388 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.168 -12.772 -7.932 1.00 1.00 C ATOM 1283 C ASN A 84 -3.464 -14.028 -7.425 1.00 1.00 C ATOM 1284 O ASN A 84 -2.893 -14.784 -8.210 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.629 -12.775 -7.476 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.239 -11.384 -7.635 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -5.505 -10.321 -7.436 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.426 -11.260 -7.939 1.00 1.00 N flip ATOM 0 H ASN A 84 -4.104 -13.624 -9.846 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.664 -11.897 -7.521 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.198 -13.498 -8.061 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.691 -13.089 -6.434 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -8.002 -12.087 -8.095 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -7.833 -10.330 -8.035 1.00 1.00 H new ATOM 1295 N SER A 85 -3.497 -14.243 -6.112 1.00 1.00 N ATOM 1296 CA SER A 85 -2.846 -15.412 -5.522 1.00 1.00 C ATOM 1297 C SER A 85 -1.344 -15.169 -5.397 1.00 1.00 C ATOM 1298 O SER A 85 -0.585 -15.427 -6.332 1.00 1.00 O ATOM 1299 CB SER A 85 -3.123 -16.661 -6.376 1.00 1.00 C ATOM 1300 OG SER A 85 -3.221 -17.795 -5.524 1.00 1.00 O ATOM 0 H SER A 85 -3.962 -13.631 -5.442 1.00 1.00 H new ATOM 0 HA SER A 85 -3.254 -15.579 -4.525 1.00 1.00 H new ATOM 0 HB2 SER A 85 -4.047 -16.533 -6.940 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.323 -16.805 -7.103 1.00 1.00 H new ATOM 0 HG SER A 85 -3.399 -18.594 -6.062 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.923 -14.652 -4.247 1.00 1.00 N ATOM 1307 CA GLY A 86 0.493 -14.360 -4.036 1.00 1.00 C ATOM 1308 C GLY A 86 1.012 -13.529 -5.200 1.00 1.00 C ATOM 1309 O GLY A 86 1.615 -14.058 -6.134 1.00 1.00 O ATOM 0 H GLY A 86 -1.530 -14.429 -3.458 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.629 -13.820 -3.099 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.060 -15.288 -3.955 1.00 1.00 H new ATOM 1313 N CYS A 87 0.731 -12.228 -5.158 1.00 1.00 N ATOM 1314 CA CYS A 87 1.128 -11.319 -6.243 1.00 1.00 C ATOM 1315 C CYS A 87 2.134 -10.274 -5.756 1.00 1.00 C ATOM 1316 O CYS A 87 2.071 -9.824 -4.611 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.132 -10.594 -6.798 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.619 -11.195 -5.945 1.00 1.00 S ATOM 0 H CYS A 87 0.233 -11.777 -4.391 1.00 1.00 H new ATOM 0 HA CYS A 87 1.600 -11.913 -7.026 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.033 -9.517 -6.659 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.221 -10.771 -7.870 1.00 1.00 H new ATOM 1323 N LYS A 88 3.027 -9.859 -6.656 1.00 1.00 N ATOM 1324 CA LYS A 88 4.013 -8.825 -6.340 1.00 1.00 C ATOM 1325 C LYS A 88 3.612 -7.539 -7.050 1.00 1.00 C ATOM 1326 O LYS A 88 3.177 -7.572 -8.200 1.00 1.00 O ATOM 1327 CB LYS A 88 5.403 -9.232 -6.827 1.00 1.00 C ATOM 1328 CG LYS A 88 5.869 -10.500 -6.111 1.00 1.00 C ATOM 1329 CD LYS A 88 7.240 -10.903 -6.659 1.00 1.00 C ATOM 1330 CE LYS A 88 7.773 -12.116 -5.894 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.876 -13.285 -6.124 1.00 1.00 N ATOM 0 H LYS A 88 3.088 -10.222 -7.607 1.00 1.00 H new ATOM 0 HA LYS A 88 4.043 -8.686 -5.259 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.383 -9.401 -7.904 1.00 1.00 H new ATOM 0 HB3 LYS A 88 6.110 -8.423 -6.645 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.929 -10.326 -5.037 1.00 1.00 H new ATOM 0 HG3 LYS A 88 5.150 -11.305 -6.264 1.00 1.00 H new ATOM 0 HD2 LYS A 88 7.162 -11.138 -7.721 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.937 -10.070 -6.567 1.00 1.00 H new ATOM 0 HE2 LYS A 88 8.785 -12.351 -6.224 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.829 -11.891 -4.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 7.447 -14.150 -6.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 6.217 -13.379 -5.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 6.337 -13.142 -7.002 1.00 1.00 H new ATOM 1345 N ILE A 89 3.762 -6.407 -6.370 1.00 1.00 N ATOM 1346 CA ILE A 89 3.414 -5.115 -6.963 1.00 1.00 C ATOM 1347 C ILE A 89 4.589 -4.159 -6.823 1.00 1.00 C ATOM 1348 O ILE A 89 5.482 -4.378 -6.005 1.00 1.00 O ATOM 1349 CB ILE A 89 2.176 -4.521 -6.268 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.532 -4.094 -4.817 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.056 -5.572 -6.244 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.724 -2.572 -4.742 1.00 1.00 C ATOM 0 H ILE A 89 4.119 -6.355 -5.416 1.00 1.00 H new ATOM 0 HA ILE A 89 3.185 -5.261 -8.019 1.00 1.00 H new ATOM 0 HB ILE A 89 1.840 -3.642 -6.818 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.739 -4.402 -4.135 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.443 -4.599 -4.495 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.177 -5.156 -5.752 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.801 -5.855 -7.265 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.395 -6.452 -5.697 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.973 -2.287 -3.720 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.533 -2.274 -5.409 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.803 -2.074 -5.044 1.00 1.00 H new ATOM 1364 N ARG A 90 4.588 -3.098 -7.628 1.00 1.00 N ATOM 1365 CA ARG A 90 5.666 -2.102 -7.593 1.00 1.00 C ATOM 1366 C ARG A 90 5.091 -0.707 -7.401 1.00 1.00 C ATOM 1367 O ARG A 90 4.000 -0.402 -7.885 1.00 1.00 O ATOM 1368 CB ARG A 90 6.477 -2.134 -8.893 1.00 1.00 C ATOM 1369 CG ARG A 90 7.274 -3.452 -8.999 1.00 1.00 C ATOM 1370 CD ARG A 90 6.447 -4.532 -9.697 1.00 1.00 C ATOM 1371 NE ARG A 90 7.202 -5.773 -9.715 1.00 1.00 N ATOM 1372 CZ ARG A 90 7.284 -6.539 -8.633 1.00 1.00 C ATOM 1373 NH1 ARG A 90 6.677 -6.175 -7.538 1.00 1.00 N ATOM 1374 NH2 ARG A 90 7.979 -7.645 -8.659 1.00 1.00 N ATOM 0 H ARG A 90 3.857 -2.903 -8.312 1.00 1.00 H new ATOM 0 HA ARG A 90 6.320 -2.346 -6.756 1.00 1.00 H new ATOM 0 HB2 ARG A 90 5.809 -2.036 -9.748 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.160 -1.285 -8.924 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.197 -3.280 -9.552 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.558 -3.792 -8.003 1.00 1.00 H new ATOM 0 HD2 ARG A 90 5.500 -4.676 -9.176 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.207 -4.223 -10.714 1.00 1.00 H new ATOM 0 HE ARG A 90 7.676 -6.060 -10.571 1.00 1.00 H new ATOM 0 HH11 ARG A 90 6.143 -5.306 -7.516 1.00 1.00 H new ATOM 0 HH12 ARG A 90 6.736 -6.759 -6.704 1.00 1.00 H new ATOM 0 HH21 ARG A 90 8.462 -7.924 -9.513 1.00 1.00 H new ATOM 0 HH22 ARG A 90 8.039 -8.230 -7.825 1.00 1.00 H new ATOM 1388 N VAL A 91 5.828 0.139 -6.682 1.00 1.00 N ATOM 1389 CA VAL A 91 5.386 1.511 -6.418 1.00 1.00 C ATOM 1390 C VAL A 91 6.448 2.505 -6.881 1.00 1.00 C ATOM 1391 O VAL A 91 7.638 2.325 -6.627 1.00 1.00 O ATOM 1392 CB VAL A 91 5.131 1.693 -4.920 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.869 3.168 -4.602 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.917 0.857 -4.507 1.00 1.00 C ATOM 0 H VAL A 91 6.731 -0.099 -6.272 1.00 1.00 H new ATOM 0 HA VAL A 91 4.463 1.696 -6.968 1.00 1.00 H new ATOM 0 HB VAL A 91 6.011 1.364 -4.367 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.689 3.283 -3.533 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.736 3.762 -4.890 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.995 3.510 -5.156 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.733 0.985 -3.440 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.042 1.185 -5.068 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.111 -0.195 -4.718 1.00 1.00 H new ATOM 1404 N GLN A 92 6.000 3.559 -7.558 1.00 1.00 N ATOM 1405 CA GLN A 92 6.902 4.600 -8.062 1.00 1.00 C ATOM 1406 C GLN A 92 6.416 5.975 -7.625 1.00 1.00 C ATOM 1407 O GLN A 92 5.216 6.207 -7.478 1.00 1.00 O ATOM 1408 CB GLN A 92 6.950 4.556 -9.593 1.00 1.00 C ATOM 1409 CG GLN A 92 7.750 3.339 -10.053 1.00 1.00 C ATOM 1410 CD GLN A 92 9.243 3.590 -9.885 1.00 1.00 C ATOM 1411 OE1 GLN A 92 10.072 2.587 -9.961 1.00 1.00 O flip ATOM 1412 NE2 GLN A 92 9.665 4.730 -9.696 1.00 1.00 N flip ATOM 0 H GLN A 92 5.016 3.718 -7.773 1.00 1.00 H new ATOM 0 HA GLN A 92 7.897 4.418 -7.656 1.00 1.00 H new ATOM 0 HB2 GLN A 92 5.938 4.511 -9.996 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.406 5.468 -9.978 1.00 1.00 H new ATOM 0 HG2 GLN A 92 7.455 2.463 -9.476 1.00 1.00 H new ATOM 0 HG3 GLN A 92 7.526 3.123 -11.098 1.00 1.00 H new ATOM 0 HE21 GLN A 92 9.013 5.512 -9.637 1.00 1.00 H new ATOM 0 HE22 GLN A 92 10.667 4.893 -9.598 1.00 1.00 H new ATOM 1421 N GLY A 93 7.361 6.883 -7.429 1.00 1.00 N ATOM 1422 CA GLY A 93 7.029 8.240 -7.022 1.00 1.00 C ATOM 1423 C GLY A 93 8.219 9.171 -7.233 1.00 1.00 C ATOM 1424 O GLY A 93 9.371 8.745 -7.176 1.00 1.00 O ATOM 0 H GLY A 93 8.359 6.706 -7.545 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.174 8.598 -7.595 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.735 8.249 -5.972 1.00 1.00 H new ATOM 1483 N ARG A 97 11.690 6.864 -3.643 1.00 1.00 N ATOM 1484 CA ARG A 97 12.389 5.914 -4.506 1.00 1.00 C ATOM 1485 C ARG A 97 11.529 4.681 -4.756 1.00 1.00 C ATOM 1486 O ARG A 97 10.545 4.444 -4.053 1.00 1.00 O ATOM 1487 CB ARG A 97 13.723 5.500 -3.874 1.00 1.00 C ATOM 1488 CG ARG A 97 13.478 4.745 -2.565 1.00 1.00 C ATOM 1489 CD ARG A 97 14.819 4.352 -1.943 1.00 1.00 C ATOM 1490 NE ARG A 97 14.594 3.574 -0.728 1.00 1.00 N ATOM 1491 CZ ARG A 97 14.448 4.161 0.457 1.00 1.00 C ATOM 1492 NH1 ARG A 97 14.566 5.457 0.568 1.00 1.00 N ATOM 1493 NH2 ARG A 97 14.191 3.439 1.512 1.00 1.00 N ATOM 0 HA ARG A 97 12.585 6.402 -5.461 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.281 4.870 -4.566 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.333 6.383 -3.684 1.00 1.00 H new ATOM 0 HG2 ARG A 97 12.913 5.370 -1.873 1.00 1.00 H new ATOM 0 HG3 ARG A 97 12.878 3.855 -2.753 1.00 1.00 H new ATOM 0 HD2 ARG A 97 15.403 3.770 -2.655 1.00 1.00 H new ATOM 0 HD3 ARG A 97 15.398 5.246 -1.711 1.00 1.00 H new ATOM 0 HE ARG A 97 14.548 2.557 -0.789 1.00 1.00 H new ATOM 0 HH11 ARG A 97 14.771 6.023 -0.256 1.00 1.00 H new ATOM 0 HH12 ARG A 97 14.453 5.903 1.478 1.00 1.00 H new ATOM 0 HH21 ARG A 97 14.102 2.426 1.428 1.00 1.00 H new ATOM 0 HH22 ARG A 97 14.079 3.887 2.422 1.00 1.00 H new ATOM 1507 N GLU A 98 11.904 3.902 -5.762 1.00 1.00 N ATOM 1508 CA GLU A 98 11.156 2.700 -6.098 1.00 1.00 C ATOM 1509 C GLU A 98 11.251 1.669 -4.976 1.00 1.00 C ATOM 1510 O GLU A 98 12.342 1.305 -4.537 1.00 1.00 O ATOM 1511 CB GLU A 98 11.693 2.095 -7.398 1.00 1.00 C ATOM 1512 CG GLU A 98 10.820 0.907 -7.805 1.00 1.00 C ATOM 1513 CD GLU A 98 11.305 0.335 -9.133 1.00 1.00 C ATOM 1514 OE1 GLU A 98 12.387 0.707 -9.556 1.00 1.00 O ATOM 1515 OE2 GLU A 98 10.587 -0.471 -9.705 1.00 1.00 O ATOM 0 H GLU A 98 12.715 4.079 -6.355 1.00 1.00 H new ATOM 0 HA GLU A 98 10.110 2.976 -6.230 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.695 2.846 -8.188 1.00 1.00 H new ATOM 0 HB3 GLU A 98 12.725 1.772 -7.262 1.00 1.00 H new ATOM 0 HG2 GLU A 98 10.855 0.138 -7.034 1.00 1.00 H new ATOM 0 HG3 GLU A 98 9.780 1.222 -7.893 1.00 1.00 H new ATOM 1522 N ARG A 99 10.090 1.196 -4.528 1.00 1.00 N ATOM 1523 CA ARG A 99 10.013 0.193 -3.463 1.00 1.00 C ATOM 1524 C ARG A 99 9.096 -0.950 -3.906 1.00 1.00 C ATOM 1525 O ARG A 99 8.042 -0.709 -4.495 1.00 1.00 O ATOM 1526 CB ARG A 99 9.465 0.837 -2.182 1.00 1.00 C ATOM 1527 CG ARG A 99 10.504 1.806 -1.600 1.00 1.00 C ATOM 1528 CD ARG A 99 9.913 2.510 -0.374 1.00 1.00 C ATOM 1529 NE ARG A 99 10.910 3.384 0.244 1.00 1.00 N ATOM 1530 CZ ARG A 99 11.092 4.634 -0.172 1.00 1.00 C ATOM 1531 NH1 ARG A 99 10.382 5.104 -1.158 1.00 1.00 N ATOM 1532 NH2 ARG A 99 11.982 5.390 0.408 1.00 1.00 N ATOM 0 H ARG A 99 9.183 1.492 -4.888 1.00 1.00 H new ATOM 0 HA ARG A 99 11.009 -0.201 -3.263 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.539 1.370 -2.399 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.224 0.065 -1.451 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.407 1.263 -1.321 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.793 2.541 -2.351 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.041 3.094 -0.668 1.00 1.00 H new ATOM 0 HD3 ARG A 99 9.572 1.769 0.349 1.00 1.00 H new ATOM 0 HE ARG A 99 11.479 3.027 1.012 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.685 4.513 -1.612 1.00 1.00 H new ATOM 0 HH12 ARG A 99 10.523 6.063 -1.476 1.00 1.00 H new ATOM 0 HH21 ARG A 99 12.538 5.023 1.180 1.00 1.00 H new ATOM 0 HH22 ARG A 99 12.122 6.349 0.090 1.00 1.00 H new ATOM 1546 N ARG A 100 9.500 -2.195 -3.632 1.00 1.00 N ATOM 1547 CA ARG A 100 8.699 -3.364 -4.021 1.00 1.00 C ATOM 1548 C ARG A 100 7.897 -3.896 -2.842 1.00 1.00 C ATOM 1549 O ARG A 100 8.290 -3.734 -1.688 1.00 1.00 O ATOM 1550 CB ARG A 100 9.609 -4.467 -4.563 1.00 1.00 C ATOM 1551 CG ARG A 100 10.176 -4.010 -5.901 1.00 1.00 C ATOM 1552 CD ARG A 100 11.071 -5.090 -6.507 1.00 1.00 C ATOM 1553 NE ARG A 100 11.603 -4.599 -7.773 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.965 -4.795 -8.927 1.00 1.00 C ATOM 1555 NH1 ARG A 100 9.916 -5.571 -8.986 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.401 -4.208 -10.009 1.00 1.00 N ATOM 0 H ARG A 100 10.369 -2.420 -3.147 1.00 1.00 H new ATOM 0 HA ARG A 100 8.003 -3.051 -4.799 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.416 -4.672 -3.860 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.049 -5.394 -4.685 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.361 -3.779 -6.587 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.747 -3.092 -5.765 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.885 -5.334 -5.824 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.503 -6.007 -6.666 1.00 1.00 H new ATOM 0 HE ARG A 100 12.488 -4.092 -7.776 1.00 1.00 H new ATOM 0 HH11 ARG A 100 9.577 -6.035 -8.143 1.00 1.00 H new ATOM 0 HH12 ARG A 100 9.436 -5.713 -9.875 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.223 -3.606 -9.966 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.920 -4.352 -10.897 1.00 1.00 H new ATOM 1570 N PHE A 101 6.764 -4.533 -3.142 1.00 1.00 N ATOM 1571 CA PHE A 101 5.903 -5.090 -2.101 1.00 1.00 C ATOM 1572 C PHE A 101 5.221 -6.355 -2.611 1.00 1.00 C ATOM 1573 O PHE A 101 5.053 -6.532 -3.817 1.00 1.00 O ATOM 1574 CB PHE A 101 4.838 -4.067 -1.693 1.00 1.00 C ATOM 1575 CG PHE A 101 5.495 -2.824 -1.136 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.927 -2.794 0.195 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.655 -1.693 -1.948 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.521 -1.637 0.713 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.250 -0.536 -1.430 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.683 -0.507 -0.099 1.00 1.00 C ATOM 0 H PHE A 101 6.424 -4.675 -4.093 1.00 1.00 H new ATOM 0 HA PHE A 101 6.517 -5.334 -1.234 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.223 -3.807 -2.555 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.173 -4.501 -0.947 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.802 -3.664 0.823 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.319 -1.714 -2.974 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.855 -1.616 1.740 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.375 0.334 -2.057 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.141 0.385 0.301 1.00 1.00 H new ATOM 1590 N GLU A 102 4.833 -7.237 -1.690 1.00 1.00 N ATOM 1591 CA GLU A 102 4.173 -8.488 -2.069 1.00 1.00 C ATOM 1592 C GLU A 102 3.149 -8.909 -1.022 1.00 1.00 C ATOM 1593 O GLU A 102 3.423 -8.880 0.177 1.00 1.00 O ATOM 1594 CB GLU A 102 5.220 -9.595 -2.232 1.00 1.00 C ATOM 1595 CG GLU A 102 4.548 -10.879 -2.730 1.00 1.00 C ATOM 1596 CD GLU A 102 5.597 -11.969 -2.932 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.713 -11.781 -2.477 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.269 -12.973 -3.543 1.00 1.00 O ATOM 0 H GLU A 102 4.962 -7.112 -0.686 1.00 1.00 H new ATOM 0 HA GLU A 102 3.653 -8.326 -3.013 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.989 -9.279 -2.937 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.717 -9.780 -1.280 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.800 -11.211 -2.010 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.026 -10.687 -3.667 1.00 1.00 H new ATOM 1605 N ILE A 103 1.971 -9.321 -1.492 1.00 1.00 N ATOM 1606 CA ILE A 103 0.900 -9.778 -0.605 1.00 1.00 C ATOM 1607 C ILE A 103 0.772 -11.306 -0.727 1.00 1.00 C ATOM 1608 O ILE A 103 0.237 -11.790 -1.723 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.431 -9.128 -1.006 1.00 1.00 C ATOM 1610 CG1 ILE A 103 -0.225 -7.630 -1.277 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.455 -9.307 0.122 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.458 -6.953 -0.080 1.00 1.00 C ATOM 0 H ILE A 103 1.734 -9.348 -2.484 1.00 1.00 H new ATOM 0 HA ILE A 103 1.137 -9.499 0.422 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.800 -9.608 -1.912 1.00 1.00 H new ATOM 0 HG12 ILE A 103 0.383 -7.497 -2.172 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -1.186 -7.154 -1.471 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.399 -8.844 -0.166 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.613 -10.370 0.305 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.082 -8.834 1.031 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.595 -5.893 -0.291 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.164 -7.069 0.807 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.429 -7.417 0.095 1.00 1.00 H new ATOM 1624 N PRO A 104 1.263 -12.082 0.219 1.00 1.00 N ATOM 1625 CA PRO A 104 1.191 -13.571 0.122 1.00 1.00 C ATOM 1626 C PRO A 104 -0.231 -14.110 0.302 1.00 1.00 C ATOM 1627 O PRO A 104 -0.494 -15.280 0.028 1.00 1.00 O ATOM 1628 CB PRO A 104 2.134 -14.061 1.233 1.00 1.00 C ATOM 1629 CG PRO A 104 2.158 -12.956 2.241 1.00 1.00 C ATOM 1630 CD PRO A 104 1.929 -11.651 1.469 1.00 1.00 C ATOM 0 HA PRO A 104 1.483 -13.927 -0.866 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.773 -14.990 1.675 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.132 -14.260 0.843 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.383 -13.102 2.994 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.113 -12.932 2.767 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.306 -10.958 2.034 1.00 1.00 H new ATOM 0 HD3 PRO A 104 2.869 -11.139 1.264 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.144 -13.254 0.752 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.538 -13.661 0.950 1.00 1.00 C ATOM 1640 C ASP A 105 -3.374 -13.238 -0.257 1.00 1.00 C ATOM 1641 O ASP A 105 -3.416 -12.065 -0.618 1.00 1.00 O ATOM 1642 CB ASP A 105 -3.085 -13.030 2.239 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.607 -13.811 3.460 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.997 -14.852 3.280 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.863 -13.356 4.564 1.00 1.00 O ATOM 0 H ASP A 105 -0.949 -12.280 0.986 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.592 -14.745 1.046 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.756 -11.993 2.311 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -4.175 -13.018 2.211 1.00 1.00 H new ATOM 1650 N GLU A 106 -4.005 -14.221 -0.893 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.810 -13.979 -2.090 1.00 1.00 C ATOM 1652 C GLU A 106 -5.948 -12.989 -1.837 1.00 1.00 C ATOM 1653 O GLU A 106 -6.140 -12.050 -2.609 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.395 -15.303 -2.579 1.00 1.00 C ATOM 1655 CG GLU A 106 -6.093 -15.091 -3.924 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.599 -16.425 -4.462 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -6.182 -17.447 -3.943 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -7.397 -16.404 -5.384 1.00 1.00 O ATOM 0 H GLU A 106 -3.975 -15.197 -0.599 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.155 -13.542 -2.844 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.604 -16.046 -2.682 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -6.104 -15.691 -1.847 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.925 -14.397 -3.806 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.401 -14.641 -4.636 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.707 -13.205 -0.770 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.822 -12.321 -0.464 1.00 1.00 C ATOM 1667 C GLU A 107 -7.330 -10.895 -0.261 1.00 1.00 C ATOM 1668 O GLU A 107 -7.959 -9.944 -0.711 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.564 -12.815 0.785 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.627 -12.810 1.994 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.338 -13.413 3.202 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.521 -13.160 3.357 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.688 -14.119 3.955 1.00 1.00 O ATOM 0 H GLU A 107 -6.574 -13.973 -0.112 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.514 -12.330 -1.306 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.426 -12.177 0.981 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.945 -13.822 0.616 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.726 -13.380 1.769 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.312 -11.791 2.217 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.197 -10.750 0.404 1.00 1.00 N ATOM 1681 CA HIS A 108 -5.633 -9.428 0.638 1.00 1.00 C ATOM 1682 C HIS A 108 -5.086 -8.837 -0.661 1.00 1.00 C ATOM 1683 O HIS A 108 -5.223 -7.642 -0.917 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.507 -9.522 1.663 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.061 -9.815 3.037 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -6.339 -9.799 3.550 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -4.239 -10.178 4.094 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -6.307 -10.146 4.897 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.019 -10.364 5.173 1.00 1.00 N flip ATOM 0 H HIS A 108 -5.652 -11.522 0.789 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.423 -8.779 1.016 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -3.808 -10.306 1.372 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -3.947 -8.587 1.683 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.166 -10.291 4.057 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.145 -10.223 5.574 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -4.669 -10.638 6.091 1.00 1.00 H new ATOM 1697 N CYS A 109 -4.450 -9.681 -1.467 1.00 1.00 N ATOM 1698 CA CYS A 109 -3.865 -9.231 -2.728 1.00 1.00 C ATOM 1699 C CYS A 109 -4.891 -8.488 -3.584 1.00 1.00 C ATOM 1700 O CYS A 109 -4.667 -7.347 -3.984 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.295 -10.441 -3.503 1.00 1.00 C ATOM 1702 SG CYS A 109 -1.764 -9.958 -4.353 1.00 1.00 S ATOM 0 H CYS A 109 -4.326 -10.675 -1.273 1.00 1.00 H new ATOM 0 HA CYS A 109 -3.057 -8.536 -2.500 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.097 -11.264 -2.817 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.027 -10.799 -4.227 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.005 -9.148 -3.875 1.00 1.00 N ATOM 1708 CA LEU A 110 -7.045 -8.542 -4.697 1.00 1.00 C ATOM 1709 C LEU A 110 -7.667 -7.329 -4.002 1.00 1.00 C ATOM 1710 O LEU A 110 -7.972 -6.333 -4.652 1.00 1.00 O ATOM 1711 CB LEU A 110 -8.117 -9.585 -5.065 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.634 -10.334 -3.805 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.954 -9.711 -3.331 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.872 -11.817 -4.135 1.00 1.00 C ATOM 0 H LEU A 110 -6.211 -10.095 -3.557 1.00 1.00 H new ATOM 0 HA LEU A 110 -6.585 -8.187 -5.619 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -8.951 -9.092 -5.565 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -7.701 -10.303 -5.772 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.885 -10.250 -3.018 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -10.310 -10.241 -2.448 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.793 -8.662 -3.084 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.698 -9.787 -4.124 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -9.234 -12.334 -3.246 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.614 -11.898 -4.930 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.937 -12.271 -4.463 1.00 1.00 H new ATOM 1726 N LYS A 111 -7.842 -7.406 -2.683 1.00 1.00 N ATOM 1727 CA LYS A 111 -8.415 -6.281 -1.938 1.00 1.00 C ATOM 1728 C LYS A 111 -7.519 -5.053 -2.040 1.00 1.00 C ATOM 1729 O LYS A 111 -7.996 -3.941 -2.268 1.00 1.00 O ATOM 1730 CB LYS A 111 -8.594 -6.652 -0.458 1.00 1.00 C ATOM 1731 CG LYS A 111 -9.809 -7.565 -0.294 1.00 1.00 C ATOM 1732 CD LYS A 111 -9.940 -7.981 1.171 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.235 -8.769 1.355 1.00 1.00 C ATOM 1734 NZ LYS A 111 -11.188 -9.994 0.508 1.00 1.00 N ATOM 0 H LYS A 111 -7.601 -8.218 -2.115 1.00 1.00 H new ATOM 0 HA LYS A 111 -9.387 -6.052 -2.375 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -7.699 -7.153 -0.089 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -8.723 -5.749 0.139 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -10.712 -7.048 -0.618 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -9.702 -8.447 -0.925 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.085 -8.589 1.467 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -9.942 -7.100 1.813 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.363 -9.041 2.403 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.091 -8.154 1.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -11.688 -10.768 0.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.646 -9.802 -0.406 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -10.197 -10.268 0.348 1.00 1.00 H new ATOM 1748 N PHE A 112 -6.222 -5.258 -1.857 1.00 1.00 N ATOM 1749 CA PHE A 112 -5.269 -4.157 -1.920 1.00 1.00 C ATOM 1750 C PHE A 112 -5.281 -3.499 -3.297 1.00 1.00 C ATOM 1751 O PHE A 112 -5.392 -2.278 -3.410 1.00 1.00 O ATOM 1752 CB PHE A 112 -3.867 -4.694 -1.602 1.00 1.00 C ATOM 1753 CG PHE A 112 -2.811 -3.664 -1.938 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -2.742 -2.470 -1.214 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -1.906 -3.903 -2.982 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -1.767 -1.516 -1.534 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -0.935 -2.949 -3.300 1.00 1.00 C ATOM 1758 CZ PHE A 112 -0.866 -1.756 -2.577 1.00 1.00 C ATOM 0 H PHE A 112 -5.807 -6.170 -1.665 1.00 1.00 H new ATOM 0 HA PHE A 112 -5.552 -3.400 -1.188 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -3.803 -4.956 -0.546 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -3.685 -5.607 -2.169 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -3.439 -2.283 -0.410 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -1.959 -4.825 -3.541 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -1.711 -0.594 -0.975 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.239 -3.134 -4.104 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.117 -1.018 -2.823 1.00 1.00 H new ATOM 1768 N LEU A 113 -5.149 -4.311 -4.334 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.129 -3.788 -5.693 1.00 1.00 C ATOM 1770 C LEU A 113 -6.472 -3.168 -6.067 1.00 1.00 C ATOM 1771 O LEU A 113 -6.519 -2.115 -6.696 1.00 1.00 O ATOM 1772 CB LEU A 113 -4.768 -4.907 -6.669 1.00 1.00 C ATOM 1773 CG LEU A 113 -3.312 -5.341 -6.437 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.026 -6.606 -7.253 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -2.334 -4.213 -6.851 1.00 1.00 C ATOM 0 H LEU A 113 -5.055 -5.324 -4.264 1.00 1.00 H new ATOM 0 HA LEU A 113 -4.375 -3.003 -5.750 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -5.438 -5.755 -6.530 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -4.897 -4.564 -7.696 1.00 1.00 H new ATOM 0 HG LEU A 113 -3.168 -5.547 -5.376 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -1.994 -6.918 -7.092 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.699 -7.403 -6.937 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.181 -6.399 -8.312 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.308 -4.539 -6.679 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -2.470 -3.984 -7.908 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -2.535 -3.321 -6.258 1.00 1.00 H new ATOM 1787 N SER A 114 -7.559 -3.831 -5.694 1.00 1.00 N ATOM 1788 CA SER A 114 -8.892 -3.332 -6.013 1.00 1.00 C ATOM 1789 C SER A 114 -9.179 -2.008 -5.311 1.00 1.00 C ATOM 1790 O SER A 114 -9.686 -1.068 -5.923 1.00 1.00 O ATOM 1791 CB SER A 114 -9.939 -4.359 -5.593 1.00 1.00 C ATOM 1792 OG SER A 114 -9.818 -4.607 -4.197 1.00 1.00 O ATOM 0 H SER A 114 -7.546 -4.709 -5.174 1.00 1.00 H new ATOM 0 HA SER A 114 -8.937 -3.166 -7.089 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.939 -3.992 -5.824 1.00 1.00 H new ATOM 0 HB3 SER A 114 -9.802 -5.285 -6.152 1.00 1.00 H new ATOM 0 HG SER A 114 -9.035 -5.173 -4.032 1.00 1.00 H new ATOM 1798 N ALA A 115 -8.871 -1.949 -4.021 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.121 -0.740 -3.243 1.00 1.00 C ATOM 1800 C ALA A 115 -8.265 0.427 -3.739 1.00 1.00 C ATOM 1801 O ALA A 115 -8.774 1.519 -3.991 1.00 1.00 O ATOM 1802 CB ALA A 115 -8.839 -1.011 -1.759 1.00 1.00 C ATOM 0 H ALA A 115 -8.452 -2.716 -3.495 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.168 -0.463 -3.368 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.027 -0.106 -1.182 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.491 -1.809 -1.405 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -7.798 -1.311 -1.635 1.00 1.00 H new ATOM 1808 N VAL A 116 -6.964 0.189 -3.875 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.047 1.229 -4.338 1.00 1.00 C ATOM 1810 C VAL A 116 -6.359 1.633 -5.777 1.00 1.00 C ATOM 1811 O VAL A 116 -6.386 2.820 -6.104 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.602 0.733 -4.235 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.656 1.750 -4.884 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.231 0.567 -2.759 1.00 1.00 C ATOM 0 H VAL A 116 -6.522 -0.708 -3.673 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.174 2.106 -3.703 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.510 -0.223 -4.750 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.629 1.392 -4.808 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -3.920 1.874 -5.934 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.745 2.708 -4.372 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.203 0.214 -2.680 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.326 1.526 -2.250 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -4.900 -0.157 -2.295 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.585 0.645 -6.634 1.00 1.00 N ATOM 1825 CA LEU A 117 -6.881 0.920 -8.035 1.00 1.00 C ATOM 1826 C LEU A 117 -8.161 1.735 -8.160 1.00 1.00 C ATOM 1827 O LEU A 117 -8.215 2.725 -8.887 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.041 -0.402 -8.792 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.472 -0.146 -10.243 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.474 0.795 -10.932 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -7.522 -1.482 -10.989 1.00 1.00 C ATOM 0 H LEU A 117 -6.569 -0.345 -6.387 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.058 1.493 -8.462 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.100 -0.951 -8.778 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -7.782 -1.026 -8.292 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.457 0.321 -10.253 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -6.789 0.970 -11.961 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.440 1.744 -10.397 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.483 0.340 -10.929 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -7.827 -1.311 -12.021 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -6.535 -1.944 -10.974 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -8.239 -2.143 -10.503 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.186 1.307 -7.440 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.471 1.992 -7.464 1.00 1.00 C ATOM 1845 C ALA A 118 -10.324 3.414 -6.933 1.00 1.00 C ATOM 1846 O ALA A 118 -10.982 4.338 -7.410 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.486 1.223 -6.618 1.00 1.00 C ATOM 0 H ALA A 118 -9.154 0.489 -6.832 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.824 2.038 -8.494 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.445 1.741 -6.640 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.607 0.217 -7.020 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.130 1.162 -5.589 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.456 3.581 -5.941 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.232 4.895 -5.354 1.00 1.00 C ATOM 1855 C ALA A 119 -8.678 5.860 -6.396 1.00 1.00 C ATOM 1856 O ALA A 119 -9.036 7.037 -6.412 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.252 4.786 -4.182 1.00 1.00 C ATOM 0 H ALA A 119 -8.901 2.830 -5.530 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.187 5.277 -4.993 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -8.091 5.773 -3.750 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.664 4.121 -3.424 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.302 4.386 -4.538 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.803 5.360 -7.265 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.212 6.203 -8.300 1.00 1.00 C ATOM 1865 C GLN A 120 -8.266 6.677 -9.293 1.00 1.00 C ATOM 1866 O GLN A 120 -8.297 7.846 -9.669 1.00 1.00 O ATOM 1867 CB GLN A 120 -6.115 5.443 -9.049 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.908 5.255 -8.132 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.810 4.492 -8.864 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -4.020 3.357 -9.290 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.643 5.052 -9.038 1.00 1.00 N ATOM 0 H GLN A 120 -7.491 4.389 -7.274 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.779 7.073 -7.807 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.489 4.474 -9.378 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.823 5.993 -9.944 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.533 6.226 -7.807 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.204 4.711 -7.235 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.471 5.993 -8.684 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.904 4.548 -9.528 1.00 1.00 H new ATOM 1880 N LYS A 121 -9.120 5.764 -9.721 1.00 1.00 N ATOM 1881 CA LYS A 121 -10.168 6.108 -10.673 1.00 1.00 C ATOM 1882 C LYS A 121 -11.167 7.059 -10.042 1.00 1.00 C ATOM 1883 O LYS A 121 -11.619 8.019 -10.664 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.902 4.843 -11.082 1.00 1.00 C ATOM 1885 CG LYS A 121 -9.949 3.912 -11.820 1.00 1.00 C ATOM 1886 CD LYS A 121 -10.616 2.552 -11.964 1.00 1.00 C ATOM 1887 CE LYS A 121 -9.656 1.570 -12.641 1.00 1.00 C ATOM 1888 NZ LYS A 121 -9.527 1.904 -14.089 1.00 1.00 N ATOM 0 H LYS A 121 -9.112 4.787 -9.429 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.711 6.586 -11.539 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -11.304 4.343 -10.201 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.749 5.093 -11.721 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -9.705 4.320 -12.801 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -9.012 3.818 -11.272 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.906 2.174 -10.984 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -11.529 2.645 -12.552 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -8.679 1.613 -12.160 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -10.023 0.550 -12.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -8.985 1.158 -14.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -10.473 1.974 -14.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -9.033 2.813 -14.193 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.522 6.755 -8.806 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.499 7.555 -8.081 1.00 1.00 C ATOM 1904 C ALA A 122 -12.008 8.982 -7.851 1.00 1.00 C ATOM 1905 O ALA A 122 -12.735 9.944 -8.104 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.799 6.891 -6.741 1.00 1.00 C ATOM 0 H ALA A 122 -11.151 5.962 -8.283 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.404 7.612 -8.685 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.530 7.487 -6.195 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.200 5.892 -6.912 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.881 6.819 -6.157 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.779 9.119 -7.366 1.00 1.00 N ATOM 1913 CA GLN A 123 -10.221 10.443 -7.105 1.00 1.00 C ATOM 1914 C GLN A 123 -9.896 11.154 -8.415 1.00 1.00 C ATOM 1915 O GLN A 123 -10.126 12.356 -8.555 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.960 10.325 -6.242 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.824 9.726 -7.071 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.679 9.299 -6.163 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.756 8.166 -5.519 1.00 1.00 O flip ATOM 1920 NE2 GLN A 123 -5.684 10.013 -6.040 1.00 1.00 N flip ATOM 0 H GLN A 123 -10.156 8.341 -7.148 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.964 11.031 -6.566 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.671 11.307 -5.867 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -9.159 9.698 -5.373 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.189 8.868 -7.636 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.469 10.458 -7.797 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -5.626 10.898 -6.544 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -4.918 9.720 -5.434 1.00 1.00 H new ATOM 1929 N SER A 124 -9.359 10.400 -9.371 1.00 1.00 N ATOM 1930 CA SER A 124 -9.000 10.963 -10.667 1.00 1.00 C ATOM 1931 C SER A 124 -8.089 12.174 -10.493 1.00 1.00 C ATOM 1932 O SER A 124 -8.384 13.200 -11.081 1.00 1.00 O ATOM 1933 CB SER A 124 -10.264 11.374 -11.420 1.00 1.00 C ATOM 1934 OG SER A 124 -9.900 11.999 -12.642 1.00 1.00 O ATOM 1935 OXT SER A 124 -7.110 12.055 -9.774 1.00 1.00 O ATOM 0 H SER A 124 -9.164 9.404 -9.273 1.00 1.00 H new ATOM 0 HA SER A 124 -8.466 10.204 -11.239 1.00 1.00 H new ATOM 0 HB2 SER A 124 -10.885 10.500 -11.616 1.00 1.00 H new ATOM 0 HB3 SER A 124 -10.858 12.057 -10.812 1.00 1.00 H new ATOM 0 HG SER A 124 -9.434 12.840 -12.453 1.00 1.00 H new