USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 LYS NZ :NH3+ 169:sc= -0.0104 (180deg=-0.133) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1 K(o=-2,f=-3.1!) USER MOD Set 1.3: A 93 SER OG : rot -160:sc= -0.959 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 GLN :FLIP amide:sc= -0.295 F(o=-3.7!,f=-0.24) USER MOD Set 2.3: A 37 ASN : amide:sc= 0.0566 K(o=-0.24,f=-1.5) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 22 THR OG1 : rot 35:sc= 0.0943 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.58! C(o=-6.5!,f=-4.6!) USER MOD Single : A 28 GLN : amide:sc= -0.0646 K(o=-0.065,f=-0.82) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -1.4 F(o=-2!,f=-1.4) USER MOD Single : A 49 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -95:sc= 0.362 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.136 K(o=0.14,f=-0.64) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.57 F(o=-2.1!,f=-1.6) USER MOD Single : A 79 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-7.5!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.03 K(o=-1,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.415 -4.502 1.392 1.00 0.00 N ATOM 102 CA ALA A 11 -13.072 -3.949 1.509 1.00 0.00 C ATOM 103 C ALA A 11 -12.236 -4.743 2.507 1.00 0.00 C ATOM 104 O ALA A 11 -11.009 -4.786 2.408 1.00 0.00 O ATOM 105 CB ALA A 11 -13.137 -2.485 1.918 1.00 0.00 C ATOM 0 HA ALA A 11 -12.591 -4.021 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.126 -2.085 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.689 -1.921 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.642 -2.398 2.880 1.00 0.00 H new ATOM 111 N ARG A 12 -12.907 -5.370 3.468 1.00 0.00 N ATOM 112 CA ARG A 12 -12.225 -6.160 4.485 1.00 0.00 C ATOM 113 C ARG A 12 -11.434 -7.299 3.849 1.00 0.00 C ATOM 114 O ARG A 12 -10.524 -7.855 4.464 1.00 0.00 O ATOM 115 CB ARG A 12 -13.236 -6.724 5.486 1.00 0.00 C ATOM 116 CG ARG A 12 -14.136 -7.801 4.901 1.00 0.00 C ATOM 117 CD ARG A 12 -15.035 -8.413 5.964 1.00 0.00 C ATOM 118 NE ARG A 12 -16.100 -7.500 6.371 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.950 -6.565 7.303 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.785 -6.420 7.920 1.00 0.00 N ATOM 121 NH2 ARG A 12 -16.966 -5.773 7.619 1.00 0.00 N ATOM 0 H ARG A 12 -13.922 -5.346 3.563 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.529 -5.506 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.698 -7.136 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.855 -5.910 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.748 -7.373 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.525 -8.581 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.474 -9.334 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.436 -8.683 6.834 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.008 -7.585 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.001 -7.027 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.673 -5.701 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.863 -5.881 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.850 -5.056 8.335 1.00 0.00 H new ATOM 135 N ARG A 13 -11.788 -7.641 2.614 1.00 0.00 N ATOM 136 CA ARG A 13 -11.112 -8.715 1.895 1.00 0.00 C ATOM 137 C ARG A 13 -9.848 -8.200 1.213 1.00 0.00 C ATOM 138 O ARG A 13 -9.092 -8.971 0.620 1.00 0.00 O ATOM 139 CB ARG A 13 -12.051 -9.331 0.857 1.00 0.00 C ATOM 140 CG ARG A 13 -13.385 -9.781 1.431 1.00 0.00 C ATOM 141 CD ARG A 13 -14.380 -10.117 0.332 1.00 0.00 C ATOM 142 NE ARG A 13 -15.427 -11.021 0.800 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.576 -11.208 0.160 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.824 -10.558 -0.969 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.480 -12.047 0.649 1.00 0.00 N ATOM 0 H ARG A 13 -12.539 -7.190 2.091 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.828 -9.481 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.233 -8.603 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.557 -10.186 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.233 -10.654 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.794 -8.994 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.834 -9.198 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.854 -10.574 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.267 -11.537 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.132 -9.912 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.707 -10.704 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.293 -12.549 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.362 -12.190 0.157 1.00 0.00 H new ATOM 159 N LEU A 14 -9.626 -6.894 1.299 1.00 0.00 N ATOM 160 CA LEU A 14 -8.453 -6.275 0.690 1.00 0.00 C ATOM 161 C LEU A 14 -7.251 -6.346 1.626 1.00 0.00 C ATOM 162 O LEU A 14 -7.270 -5.785 2.722 1.00 0.00 O ATOM 163 CB LEU A 14 -8.749 -4.818 0.331 1.00 0.00 C ATOM 164 CG LEU A 14 -10.080 -4.559 -0.377 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.404 -3.073 -0.376 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.041 -5.097 -1.800 1.00 0.00 C ATOM 0 H LEU A 14 -10.242 -6.242 1.784 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.214 -6.826 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.726 -4.227 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.944 -4.451 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.867 -5.082 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.354 -2.907 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.475 -2.717 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.615 -2.528 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.996 -4.904 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.243 -4.602 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.855 -6.171 -1.778 1.00 0.00 H new ATOM 178 N THR A 15 -6.205 -7.038 1.186 1.00 0.00 N ATOM 179 CA THR A 15 -4.993 -7.181 1.984 1.00 0.00 C ATOM 180 C THR A 15 -3.751 -6.863 1.159 1.00 0.00 C ATOM 181 O THR A 15 -3.806 -6.810 -0.069 1.00 0.00 O ATOM 182 CB THR A 15 -4.864 -8.605 2.558 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.902 -9.566 1.498 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.981 -8.891 3.550 1.00 0.00 C ATOM 0 H THR A 15 -6.172 -7.508 0.281 1.00 0.00 H new ATOM 0 HA THR A 15 -5.070 -6.471 2.807 1.00 0.00 H new ATOM 0 HB THR A 15 -3.909 -8.678 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.818 -10.468 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.869 -9.902 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.931 -8.176 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.945 -8.801 3.049 1.00 0.00 H new ATOM 192 N VAL A 16 -2.631 -6.654 1.843 1.00 0.00 N ATOM 193 CA VAL A 16 -1.373 -6.343 1.173 1.00 0.00 C ATOM 194 C VAL A 16 -0.201 -7.038 1.856 1.00 0.00 C ATOM 195 O VAL A 16 0.184 -6.681 2.970 1.00 0.00 O ATOM 196 CB VAL A 16 -1.112 -4.825 1.146 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.160 -4.516 0.371 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.302 -4.090 0.548 1.00 0.00 C ATOM 0 H VAL A 16 -2.568 -6.694 2.860 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.460 -6.707 0.149 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.978 -4.479 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.328 -3.439 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.006 -5.012 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.059 -4.875 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.100 -3.019 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.470 -4.438 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.190 -4.286 1.149 1.00 0.00 H new ATOM 208 N THR A 17 0.366 -8.032 1.179 1.00 0.00 N ATOM 209 CA THR A 17 1.495 -8.778 1.720 1.00 0.00 C ATOM 210 C THR A 17 2.815 -8.258 1.164 1.00 0.00 C ATOM 211 O THR A 17 3.682 -7.808 1.914 1.00 0.00 O ATOM 212 CB THR A 17 1.377 -10.282 1.408 1.00 0.00 C ATOM 213 OG1 THR A 17 0.127 -10.786 1.891 1.00 0.00 O ATOM 214 CG2 THR A 17 2.521 -11.058 2.041 1.00 0.00 C ATOM 0 H THR A 17 0.062 -8.339 0.255 1.00 0.00 H new ATOM 0 HA THR A 17 1.478 -8.636 2.801 1.00 0.00 H new ATOM 0 HB THR A 17 1.427 -10.411 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.059 -11.742 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.416 -12.117 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.470 -10.692 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.499 -10.922 3.122 1.00 0.00 H new ATOM 222 N SER A 18 2.962 -8.320 -0.156 1.00 0.00 N ATOM 223 CA SER A 18 4.179 -7.857 -0.813 1.00 0.00 C ATOM 224 C SER A 18 4.740 -6.624 -0.110 1.00 0.00 C ATOM 225 O SER A 18 5.939 -6.541 0.159 1.00 0.00 O ATOM 226 CB SER A 18 3.900 -7.538 -2.283 1.00 0.00 C ATOM 227 OG SER A 18 5.104 -7.285 -2.987 1.00 0.00 O ATOM 0 H SER A 18 2.253 -8.686 -0.791 1.00 0.00 H new ATOM 0 HA SER A 18 4.920 -8.655 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.373 -8.372 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.245 -6.669 -2.352 1.00 0.00 H new ATOM 0 HG SER A 18 4.899 -7.085 -3.924 1.00 0.00 H new ATOM 233 N LEU A 19 3.865 -5.669 0.183 1.00 0.00 N ATOM 234 CA LEU A 19 4.271 -4.439 0.855 1.00 0.00 C ATOM 235 C LEU A 19 5.229 -4.737 2.003 1.00 0.00 C ATOM 236 O LEU A 19 5.140 -5.785 2.642 1.00 0.00 O ATOM 237 CB LEU A 19 3.044 -3.692 1.380 1.00 0.00 C ATOM 238 CG LEU A 19 3.323 -2.520 2.321 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.774 -1.300 1.534 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.090 -2.197 3.151 1.00 0.00 C ATOM 0 H LEU A 19 2.870 -5.722 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 19 4.787 -3.811 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.478 -3.320 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.405 -4.405 1.900 1.00 0.00 H new ATOM 0 HG LEU A 19 4.127 -2.806 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.968 -0.476 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.685 -1.537 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.992 -1.011 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.307 -1.360 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.266 -1.931 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.812 -3.068 3.744 1.00 0.00 H new ATOM 252 N GLN A 20 6.143 -3.807 2.261 1.00 0.00 N ATOM 253 CA GLN A 20 7.117 -3.970 3.334 1.00 0.00 C ATOM 254 C GLN A 20 6.935 -2.896 4.401 1.00 0.00 C ATOM 255 O GLN A 20 7.561 -1.838 4.342 1.00 0.00 O ATOM 256 CB GLN A 20 8.539 -3.913 2.773 1.00 0.00 C ATOM 257 CG GLN A 20 9.547 -4.705 3.591 1.00 0.00 C ATOM 258 CD GLN A 20 10.929 -4.712 2.966 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.515 -3.659 2.717 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.456 -5.903 2.709 1.00 0.00 N ATOM 0 H GLN A 20 6.229 -2.933 1.742 1.00 0.00 H new ATOM 0 HA GLN A 20 6.954 -4.945 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.533 -4.293 1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.860 -2.873 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.608 -4.282 4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.196 -5.731 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.934 -6.751 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.383 -5.971 2.288 1.00 0.00 H new ATOM 269 N GLU A 21 6.075 -3.176 5.375 1.00 0.00 N ATOM 270 CA GLU A 21 5.811 -2.233 6.455 1.00 0.00 C ATOM 271 C GLU A 21 7.077 -1.468 6.831 1.00 0.00 C ATOM 272 O GLU A 21 7.110 -0.238 6.788 1.00 0.00 O ATOM 273 CB GLU A 21 5.262 -2.966 7.681 1.00 0.00 C ATOM 274 CG GLU A 21 3.808 -3.383 7.540 1.00 0.00 C ATOM 275 CD GLU A 21 3.116 -3.547 8.879 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.464 -2.806 9.821 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.226 -4.417 8.985 1.00 0.00 O ATOM 0 H GLU A 21 5.549 -4.048 5.438 1.00 0.00 H new ATOM 0 HA GLU A 21 5.066 -1.519 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.869 -3.852 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.363 -2.322 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.276 -2.638 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.755 -4.323 6.990 1.00 0.00 H new ATOM 284 N THR A 22 8.119 -2.206 7.202 1.00 0.00 N ATOM 285 CA THR A 22 9.387 -1.599 7.588 1.00 0.00 C ATOM 286 C THR A 22 10.554 -2.254 6.858 1.00 0.00 C ATOM 287 O THR A 22 10.680 -3.478 6.840 1.00 0.00 O ATOM 288 CB THR A 22 9.621 -1.705 9.107 1.00 0.00 C ATOM 289 OG1 THR A 22 9.508 -3.070 9.526 1.00 0.00 O ATOM 290 CG2 THR A 22 8.621 -0.850 9.869 1.00 0.00 C ATOM 0 H THR A 22 8.110 -3.225 7.243 1.00 0.00 H new ATOM 0 HA THR A 22 9.332 -0.547 7.309 1.00 0.00 H new ATOM 0 HB THR A 22 10.625 -1.341 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.854 -3.658 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.806 -0.941 10.939 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.730 0.192 9.569 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.609 -1.188 9.646 1.00 0.00 H new ATOM 298 N GLY A 23 11.408 -1.430 6.257 1.00 0.00 N ATOM 299 CA GLY A 23 12.554 -1.948 5.534 1.00 0.00 C ATOM 300 C GLY A 23 12.835 -1.175 4.261 1.00 0.00 C ATOM 301 O GLY A 23 13.933 -1.251 3.709 1.00 0.00 O ATOM 0 H GLY A 23 11.326 -0.413 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.432 -1.912 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.381 -2.996 5.288 1.00 0.00 H new ATOM 305 N LEU A 24 11.839 -0.431 3.791 1.00 0.00 N ATOM 306 CA LEU A 24 11.983 0.358 2.573 1.00 0.00 C ATOM 307 C LEU A 24 12.940 1.526 2.790 1.00 0.00 C ATOM 308 O LEU A 24 13.087 2.022 3.907 1.00 0.00 O ATOM 309 CB LEU A 24 10.620 0.879 2.116 1.00 0.00 C ATOM 310 CG LEU A 24 9.560 -0.182 1.819 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.236 0.472 1.457 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.026 -1.103 0.700 1.00 0.00 C ATOM 0 H LEU A 24 10.924 -0.358 4.235 1.00 0.00 H new ATOM 0 HA LEU A 24 12.397 -0.287 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.232 1.546 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.766 1.479 1.218 1.00 0.00 H new ATOM 0 HG LEU A 24 9.412 -0.781 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.494 -0.299 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.895 1.088 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.368 1.096 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.259 -1.852 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.204 -0.518 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.949 -1.599 0.998 1.00 0.00 H new ATOM 324 N LYS A 25 13.588 1.962 1.715 1.00 0.00 N ATOM 325 CA LYS A 25 14.528 3.074 1.786 1.00 0.00 C ATOM 326 C LYS A 25 14.117 4.196 0.838 1.00 0.00 C ATOM 327 O LYS A 25 13.159 4.059 0.077 1.00 0.00 O ATOM 328 CB LYS A 25 15.941 2.596 1.444 1.00 0.00 C ATOM 329 CG LYS A 25 16.628 1.864 2.585 1.00 0.00 C ATOM 330 CD LYS A 25 17.903 1.180 2.121 1.00 0.00 C ATOM 331 CE LYS A 25 18.994 2.191 1.802 1.00 0.00 C ATOM 332 NZ LYS A 25 19.776 2.563 3.014 1.00 0.00 N ATOM 0 H LYS A 25 13.479 1.561 0.783 1.00 0.00 H new ATOM 0 HA LYS A 25 14.518 3.461 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.893 1.937 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.547 3.456 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.862 2.569 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.948 1.122 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.253 0.497 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.693 0.578 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.665 1.776 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.545 3.086 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.509 3.253 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.140 2.982 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.225 1.713 3.412 1.00 0.00 H new ATOM 346 N VAL A 26 14.847 5.305 0.888 1.00 0.00 N ATOM 347 CA VAL A 26 14.560 6.449 0.032 1.00 0.00 C ATOM 348 C VAL A 26 15.000 6.186 -1.404 1.00 0.00 C ATOM 349 O VAL A 26 15.767 5.261 -1.669 1.00 0.00 O ATOM 350 CB VAL A 26 15.257 7.723 0.546 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.766 7.537 0.561 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.868 8.923 -0.306 1.00 0.00 C ATOM 0 H VAL A 26 15.642 5.435 1.513 1.00 0.00 H new ATOM 0 HA VAL A 26 13.481 6.599 0.056 1.00 0.00 H new ATOM 0 HB VAL A 26 14.928 7.909 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.241 8.447 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.024 6.705 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.117 7.326 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.369 9.815 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.167 8.748 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.789 9.067 -0.260 1.00 0.00 H new ATOM 362 N ASN A 27 14.509 7.006 -2.327 1.00 0.00 N ATOM 363 CA ASN A 27 14.851 6.862 -3.737 1.00 0.00 C ATOM 364 C ASN A 27 14.809 5.397 -4.160 1.00 0.00 C ATOM 365 O ASN A 27 15.584 4.965 -5.013 1.00 0.00 O ATOM 366 CB ASN A 27 16.240 7.443 -4.008 1.00 0.00 C ATOM 367 CG ASN A 27 17.340 6.657 -3.320 1.00 0.00 C ATOM 368 OD1 ASN A 27 18.014 7.292 -2.368 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 17.580 5.493 -3.641 1.00 0.00 N flip ATOM 0 H ASN A 27 13.873 7.777 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 27 14.114 7.412 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.423 7.454 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.270 8.478 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.036 5.045 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.323 4.977 -3.169 1.00 0.00 H new ATOM 376 N GLN A 28 13.898 4.639 -3.558 1.00 0.00 N ATOM 377 CA GLN A 28 13.755 3.222 -3.873 1.00 0.00 C ATOM 378 C GLN A 28 12.344 2.913 -4.363 1.00 0.00 C ATOM 379 O GLN A 28 11.349 3.308 -3.756 1.00 0.00 O ATOM 380 CB GLN A 28 14.079 2.370 -2.645 1.00 0.00 C ATOM 381 CG GLN A 28 15.545 1.982 -2.542 1.00 0.00 C ATOM 382 CD GLN A 28 15.878 0.743 -3.349 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.104 -0.214 -3.387 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.036 0.753 -4.000 1.00 0.00 N ATOM 0 H GLN A 28 13.248 4.982 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 28 14.458 2.980 -4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.793 2.918 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.473 1.464 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.162 2.812 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.799 1.809 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.647 1.567 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.314 -0.054 -4.559 1.00 0.00 H new ATOM 393 N PRO A 29 12.254 2.191 -5.490 1.00 0.00 N ATOM 394 CA PRO A 29 10.970 1.812 -6.087 1.00 0.00 C ATOM 395 C PRO A 29 10.222 0.781 -5.249 1.00 0.00 C ATOM 396 O PRO A 29 10.447 -0.422 -5.382 1.00 0.00 O ATOM 397 CB PRO A 29 11.369 1.216 -7.439 1.00 0.00 C ATOM 398 CG PRO A 29 12.765 0.734 -7.242 1.00 0.00 C ATOM 399 CD PRO A 29 13.399 1.687 -6.267 1.00 0.00 C ATOM 0 HA PRO A 29 10.291 2.661 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.705 0.400 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.316 1.962 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.775 -0.285 -6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.310 0.721 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.127 1.185 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.925 2.494 -6.778 1.00 0.00 H new ATOM 407 N ALA A 30 9.333 1.259 -4.385 1.00 0.00 N ATOM 408 CA ALA A 30 8.550 0.378 -3.528 1.00 0.00 C ATOM 409 C ALA A 30 7.183 0.088 -4.139 1.00 0.00 C ATOM 410 O ALA A 30 6.342 0.980 -4.252 1.00 0.00 O ATOM 411 CB ALA A 30 8.393 0.991 -2.144 1.00 0.00 C ATOM 0 H ALA A 30 9.137 2.252 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 30 9.085 -0.567 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.806 0.322 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.376 1.139 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.884 1.951 -2.227 1.00 0.00 H new ATOM 417 N SER A 31 6.969 -1.163 -4.532 1.00 0.00 N ATOM 418 CA SER A 31 5.706 -1.569 -5.136 1.00 0.00 C ATOM 419 C SER A 31 5.187 -2.854 -4.499 1.00 0.00 C ATOM 420 O SER A 31 5.956 -3.770 -4.205 1.00 0.00 O ATOM 421 CB SER A 31 5.877 -1.767 -6.644 1.00 0.00 C ATOM 422 OG SER A 31 7.070 -2.475 -6.933 1.00 0.00 O ATOM 0 H SER A 31 7.654 -1.913 -4.443 1.00 0.00 H new ATOM 0 HA SER A 31 4.978 -0.777 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.021 -2.312 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.896 -0.797 -7.141 1.00 0.00 H new ATOM 0 HG SER A 31 7.155 -2.590 -7.902 1.00 0.00 H new ATOM 428 N PHE A 32 3.876 -2.915 -4.288 1.00 0.00 N ATOM 429 CA PHE A 32 3.253 -4.088 -3.685 1.00 0.00 C ATOM 430 C PHE A 32 1.979 -4.471 -4.431 1.00 0.00 C ATOM 431 O PHE A 32 1.583 -3.806 -5.388 1.00 0.00 O ATOM 432 CB PHE A 32 2.934 -3.821 -2.212 1.00 0.00 C ATOM 433 CG PHE A 32 2.644 -2.378 -1.913 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.674 -1.490 -1.649 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.340 -1.909 -1.898 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.409 -0.162 -1.373 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.069 -0.581 -1.623 1.00 0.00 C ATOM 438 CZ PHE A 32 2.105 0.293 -1.361 1.00 0.00 C ATOM 0 H PHE A 32 3.225 -2.167 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 32 3.956 -4.918 -3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.074 -4.424 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.775 -4.148 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.696 -1.840 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.526 -2.588 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.221 0.520 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.048 -0.228 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.896 1.331 -1.147 1.00 0.00 H new ATOM 448 N ALA A 33 1.340 -5.548 -3.986 1.00 0.00 N ATOM 449 CA ALA A 33 0.111 -6.020 -4.610 1.00 0.00 C ATOM 450 C ALA A 33 -1.035 -6.062 -3.604 1.00 0.00 C ATOM 451 O ALA A 33 -0.865 -6.519 -2.473 1.00 0.00 O ATOM 452 CB ALA A 33 0.325 -7.394 -5.226 1.00 0.00 C ATOM 0 H ALA A 33 1.654 -6.110 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.158 -5.318 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.602 -7.734 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.108 -7.336 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.622 -8.099 -4.449 1.00 0.00 H new ATOM 458 N VAL A 34 -2.201 -5.581 -4.022 1.00 0.00 N ATOM 459 CA VAL A 34 -3.375 -5.564 -3.157 1.00 0.00 C ATOM 460 C VAL A 34 -4.459 -6.498 -3.683 1.00 0.00 C ATOM 461 O VAL A 34 -5.181 -6.159 -4.621 1.00 0.00 O ATOM 462 CB VAL A 34 -3.955 -4.143 -3.026 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.047 -4.107 -1.967 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.853 -3.146 -2.702 1.00 0.00 C ATOM 0 H VAL A 34 -2.358 -5.198 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.050 -5.907 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.399 -3.861 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.445 -3.095 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.848 -4.791 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.632 -4.409 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.281 -2.147 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.377 -3.422 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.110 -3.153 -3.500 1.00 0.00 H new ATOM 474 N GLN A 35 -4.568 -7.673 -3.073 1.00 0.00 N ATOM 475 CA GLN A 35 -5.564 -8.656 -3.481 1.00 0.00 C ATOM 476 C GLN A 35 -6.925 -8.338 -2.869 1.00 0.00 C ATOM 477 O GLN A 35 -7.019 -7.961 -1.700 1.00 0.00 O ATOM 478 CB GLN A 35 -5.123 -10.062 -3.070 1.00 0.00 C ATOM 479 CG GLN A 35 -5.635 -11.155 -3.994 1.00 0.00 C ATOM 480 CD GLN A 35 -5.136 -12.532 -3.602 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.494 -12.971 -2.401 1.00 0.00 O flip ATOM 482 NE2 GLN A 35 -4.437 -13.193 -4.370 1.00 0.00 N flip ATOM 0 H GLN A 35 -3.979 -7.968 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.655 -8.615 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.034 -10.099 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.472 -10.261 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.725 -11.152 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.324 -10.937 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.186 -12.816 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.109 -14.118 -4.092 1.00 0.00 H new ATOM 491 N LEU A 36 -7.977 -8.492 -3.666 1.00 0.00 N ATOM 492 CA LEU A 36 -9.333 -8.220 -3.203 1.00 0.00 C ATOM 493 C LEU A 36 -9.912 -9.430 -2.476 1.00 0.00 C ATOM 494 O LEU A 36 -10.798 -9.294 -1.633 1.00 0.00 O ATOM 495 CB LEU A 36 -10.230 -7.842 -4.383 1.00 0.00 C ATOM 496 CG LEU A 36 -9.604 -6.925 -5.434 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.483 -6.856 -6.674 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.378 -5.533 -4.861 1.00 0.00 C ATOM 0 H LEU A 36 -7.917 -8.804 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.292 -7.384 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.554 -8.759 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.125 -7.357 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.638 -7.340 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.021 -6.199 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.594 -7.854 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.464 -6.465 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.932 -4.894 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.332 -5.110 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.708 -5.597 -4.003 1.00 0.00 H new ATOM 510 N ASN A 37 -9.405 -10.613 -2.809 1.00 0.00 N ATOM 511 CA ASN A 37 -9.871 -11.846 -2.186 1.00 0.00 C ATOM 512 C ASN A 37 -11.389 -11.967 -2.287 1.00 0.00 C ATOM 513 O ASN A 37 -12.059 -12.325 -1.319 1.00 0.00 O ATOM 514 CB ASN A 37 -9.440 -11.897 -0.719 1.00 0.00 C ATOM 515 CG ASN A 37 -7.953 -12.147 -0.562 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.483 -13.276 -0.709 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.204 -11.093 -0.261 1.00 0.00 N ATOM 0 H ASN A 37 -8.672 -10.743 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.421 -12.684 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.701 -10.957 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.994 -12.684 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.197 -11.200 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.636 -10.176 -0.149 1.00 0.00 H new ATOM 524 N GLY A 38 -11.924 -11.665 -3.466 1.00 0.00 N ATOM 525 CA GLY A 38 -13.359 -11.746 -3.671 1.00 0.00 C ATOM 526 C GLY A 38 -13.979 -10.395 -3.968 1.00 0.00 C ATOM 527 O GLY A 38 -14.842 -10.278 -4.838 1.00 0.00 O ATOM 0 H GLY A 38 -11.390 -11.366 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.567 -12.427 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.827 -12.170 -2.782 1.00 0.00 H new ATOM 531 N ALA A 39 -13.539 -9.371 -3.243 1.00 0.00 N ATOM 532 CA ALA A 39 -14.057 -8.022 -3.433 1.00 0.00 C ATOM 533 C ALA A 39 -14.053 -7.636 -4.909 1.00 0.00 C ATOM 534 O ALA A 39 -13.293 -8.189 -5.703 1.00 0.00 O ATOM 535 CB ALA A 39 -13.242 -7.025 -2.623 1.00 0.00 C ATOM 0 H ALA A 39 -12.825 -9.451 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.089 -8.002 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.640 -6.022 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.299 -7.282 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.202 -7.056 -2.948 1.00 0.00 H new ATOM 541 N ARG A 40 -14.908 -6.684 -5.268 1.00 0.00 N ATOM 542 CA ARG A 40 -15.004 -6.225 -6.649 1.00 0.00 C ATOM 543 C ARG A 40 -15.216 -4.715 -6.707 1.00 0.00 C ATOM 544 O ARG A 40 -16.259 -4.208 -6.295 1.00 0.00 O ATOM 545 CB ARG A 40 -16.150 -6.940 -7.367 1.00 0.00 C ATOM 546 CG ARG A 40 -16.336 -6.495 -8.809 1.00 0.00 C ATOM 547 CD ARG A 40 -15.304 -7.133 -9.726 1.00 0.00 C ATOM 548 NE ARG A 40 -15.762 -7.186 -11.112 1.00 0.00 N ATOM 549 CZ ARG A 40 -15.054 -7.721 -12.100 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.861 -8.246 -11.857 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.539 -7.732 -13.335 1.00 0.00 N ATOM 0 H ARG A 40 -15.544 -6.216 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.066 -6.462 -7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.966 -8.014 -7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.076 -6.766 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.338 -6.760 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.256 -5.410 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.373 -6.568 -9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.084 -8.142 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.676 -6.790 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.485 -8.240 -10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.320 -8.656 -12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.456 -7.329 -13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.994 -8.143 -14.093 1.00 0.00 H new ATOM 565 N GLY A 41 -14.218 -4.002 -7.220 1.00 0.00 N ATOM 566 CA GLY A 41 -14.315 -2.557 -7.322 1.00 0.00 C ATOM 567 C GLY A 41 -13.065 -1.932 -7.910 1.00 0.00 C ATOM 568 O GLY A 41 -12.474 -2.472 -8.845 1.00 0.00 O ATOM 0 H GLY A 41 -13.345 -4.399 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.173 -2.296 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.496 -2.137 -6.333 1.00 0.00 H new ATOM 572 N VAL A 42 -12.663 -0.790 -7.361 1.00 0.00 N ATOM 573 CA VAL A 42 -11.476 -0.090 -7.837 1.00 0.00 C ATOM 574 C VAL A 42 -10.591 0.346 -6.675 1.00 0.00 C ATOM 575 O VAL A 42 -11.076 0.896 -5.685 1.00 0.00 O ATOM 576 CB VAL A 42 -11.851 1.147 -8.675 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.600 1.873 -9.145 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.721 0.746 -9.857 1.00 0.00 C ATOM 0 H VAL A 42 -13.142 -0.330 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.926 -0.792 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.424 1.830 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.885 2.744 -9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.020 2.195 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.998 1.201 -9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.976 1.632 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.177 0.043 -10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.634 0.275 -9.493 1.00 0.00 H new ATOM 588 N ILE A 43 -9.292 0.097 -6.801 1.00 0.00 N ATOM 589 CA ILE A 43 -8.340 0.466 -5.760 1.00 0.00 C ATOM 590 C ILE A 43 -7.534 1.695 -6.164 1.00 0.00 C ATOM 591 O ILE A 43 -6.823 1.682 -7.169 1.00 0.00 O ATOM 592 CB ILE A 43 -7.371 -0.690 -5.449 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.141 -1.902 -4.920 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.320 -0.244 -4.444 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.401 -1.850 -3.431 1.00 0.00 C ATOM 0 H ILE A 43 -8.875 -0.358 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.921 0.693 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.865 -0.978 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.094 -1.974 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.580 -2.808 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.643 -1.072 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.755 0.592 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.809 0.068 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.951 -2.741 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.452 -1.809 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.989 -0.963 -3.195 1.00 0.00 H new ATOM 607 N ASP A 44 -7.648 2.756 -5.373 1.00 0.00 N ATOM 608 CA ASP A 44 -6.927 3.994 -5.646 1.00 0.00 C ATOM 609 C ASP A 44 -5.810 4.208 -4.630 1.00 0.00 C ATOM 610 O ASP A 44 -6.064 4.353 -3.434 1.00 0.00 O ATOM 611 CB ASP A 44 -7.887 5.184 -5.625 1.00 0.00 C ATOM 612 CG ASP A 44 -7.323 6.397 -6.339 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.585 6.213 -7.329 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.621 7.530 -5.908 1.00 0.00 O ATOM 0 H ASP A 44 -8.233 2.784 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.481 3.914 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.828 4.896 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.112 5.447 -4.591 1.00 0.00 H new ATOM 619 N ALA A 45 -4.572 4.226 -5.113 1.00 0.00 N ATOM 620 CA ALA A 45 -3.416 4.423 -4.247 1.00 0.00 C ATOM 621 C ALA A 45 -2.881 5.846 -4.361 1.00 0.00 C ATOM 622 O ALA A 45 -2.792 6.400 -5.457 1.00 0.00 O ATOM 623 CB ALA A 45 -2.325 3.418 -4.586 1.00 0.00 C ATOM 0 H ALA A 45 -4.344 4.106 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.734 4.264 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.468 3.577 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.706 2.406 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.019 3.550 -5.624 1.00 0.00 H new ATOM 629 N ARG A 46 -2.526 6.433 -3.223 1.00 0.00 N ATOM 630 CA ARG A 46 -2.001 7.793 -3.196 1.00 0.00 C ATOM 631 C ARG A 46 -1.104 8.005 -1.980 1.00 0.00 C ATOM 632 O ARG A 46 -1.540 7.850 -0.839 1.00 0.00 O ATOM 633 CB ARG A 46 -3.148 8.805 -3.180 1.00 0.00 C ATOM 634 CG ARG A 46 -3.843 8.959 -4.523 1.00 0.00 C ATOM 635 CD ARG A 46 -4.489 10.329 -4.662 1.00 0.00 C ATOM 636 NE ARG A 46 -5.661 10.295 -5.532 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.337 11.379 -5.897 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.959 12.575 -5.470 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.394 11.267 -6.691 1.00 0.00 N ATOM 0 H ARG A 46 -2.592 5.988 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.405 7.944 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.881 8.499 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.761 9.775 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.121 8.813 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.602 8.185 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.779 10.695 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.761 11.034 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.978 9.390 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.147 12.665 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.480 13.405 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.688 10.348 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.912 12.100 -6.971 1.00 0.00 H new ATOM 653 N VAL A 47 0.152 8.361 -2.231 1.00 0.00 N ATOM 654 CA VAL A 47 1.110 8.596 -1.158 1.00 0.00 C ATOM 655 C VAL A 47 1.169 10.073 -0.787 1.00 0.00 C ATOM 656 O VAL A 47 1.106 10.945 -1.654 1.00 0.00 O ATOM 657 CB VAL A 47 2.521 8.120 -1.551 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.580 6.600 -1.591 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.929 8.713 -2.891 1.00 0.00 C ATOM 0 H VAL A 47 0.530 8.493 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 47 0.767 8.022 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 47 3.226 8.467 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.584 6.282 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.333 6.200 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.864 6.227 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.929 8.366 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.222 8.398 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.929 9.801 -2.823 1.00 0.00 H new ATOM 669 N HIS A 48 1.291 10.348 0.508 1.00 0.00 N ATOM 670 CA HIS A 48 1.361 11.722 0.994 1.00 0.00 C ATOM 671 C HIS A 48 2.739 12.024 1.573 1.00 0.00 C ATOM 672 O HIS A 48 3.140 11.448 2.585 1.00 0.00 O ATOM 673 CB HIS A 48 0.285 11.964 2.054 1.00 0.00 C ATOM 674 CG HIS A 48 -1.093 12.113 1.486 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.942 11.192 0.972 1.00 0.00 N flip ATOM 676 CD2 HIS A 48 -1.745 13.324 1.400 1.00 0.00 C flip ATOM 677 CE1 HIS A 48 -3.080 11.858 0.590 1.00 0.00 C flip ATOM 678 NE2 HIS A 48 -2.937 13.143 0.860 1.00 0.00 N flip ATOM 0 H HIS A 48 1.343 9.639 1.239 1.00 0.00 H new ATOM 0 HA HIS A 48 1.187 12.390 0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.290 11.134 2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.536 12.863 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.344 14.273 1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.951 11.405 0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.629 13.871 0.682 1.00 0.00 H new ATOM 687 N THR A 49 3.462 12.932 0.925 1.00 0.00 N ATOM 688 CA THR A 49 4.797 13.309 1.374 1.00 0.00 C ATOM 689 C THR A 49 4.737 14.077 2.689 1.00 0.00 C ATOM 690 O THR A 49 3.786 14.807 2.967 1.00 0.00 O ATOM 691 CB THR A 49 5.520 14.171 0.322 1.00 0.00 C ATOM 692 OG1 THR A 49 4.649 15.206 -0.148 1.00 0.00 O ATOM 693 CG2 THR A 49 5.982 13.319 -0.851 1.00 0.00 C ATOM 0 H THR A 49 3.145 13.420 0.087 1.00 0.00 H new ATOM 0 HA THR A 49 5.355 12.384 1.521 1.00 0.00 H new ATOM 0 HB THR A 49 6.395 14.620 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.037 14.839 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.490 13.949 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.669 12.551 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.119 12.845 -1.319 1.00 0.00 H new ATOM 701 N PRO A 50 5.778 13.911 3.519 1.00 0.00 N ATOM 702 CA PRO A 50 5.868 14.582 4.820 1.00 0.00 C ATOM 703 C PRO A 50 6.091 16.085 4.683 1.00 0.00 C ATOM 704 O PRO A 50 6.119 16.811 5.676 1.00 0.00 O ATOM 705 CB PRO A 50 7.080 13.919 5.478 1.00 0.00 C ATOM 706 CG PRO A 50 7.913 13.438 4.340 1.00 0.00 C ATOM 707 CD PRO A 50 6.947 13.057 3.252 1.00 0.00 C ATOM 0 HA PRO A 50 4.947 14.483 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.629 14.626 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.778 13.095 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.596 14.216 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.523 12.585 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.363 13.243 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.690 11.999 3.296 1.00 0.00 H new ATOM 715 N SER A 51 6.248 16.544 3.445 1.00 0.00 N ATOM 716 CA SER A 51 6.472 17.960 3.179 1.00 0.00 C ATOM 717 C SER A 51 5.147 18.708 3.064 1.00 0.00 C ATOM 718 O SER A 51 5.018 19.841 3.526 1.00 0.00 O ATOM 719 CB SER A 51 7.283 18.137 1.894 1.00 0.00 C ATOM 720 OG SER A 51 7.355 19.502 1.520 1.00 0.00 O ATOM 0 H SER A 51 6.224 15.956 2.612 1.00 0.00 H new ATOM 0 HA SER A 51 7.033 18.377 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.289 17.743 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.826 17.560 1.090 1.00 0.00 H new ATOM 0 HG SER A 51 7.880 19.588 0.697 1.00 0.00 H new ATOM 726 N GLY A 52 4.163 18.064 2.444 1.00 0.00 N ATOM 727 CA GLY A 52 2.860 18.681 2.279 1.00 0.00 C ATOM 728 C GLY A 52 2.392 18.669 0.837 1.00 0.00 C ATOM 729 O GLY A 52 1.683 19.576 0.401 1.00 0.00 O ATOM 0 H GLY A 52 4.245 17.126 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.132 18.157 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.901 19.710 2.636 1.00 0.00 H new ATOM 733 N ALA A 53 2.790 17.641 0.096 1.00 0.00 N ATOM 734 CA ALA A 53 2.405 17.515 -1.305 1.00 0.00 C ATOM 735 C ALA A 53 1.786 16.149 -1.583 1.00 0.00 C ATOM 736 O ALA A 53 2.384 15.114 -1.292 1.00 0.00 O ATOM 737 CB ALA A 53 3.610 17.743 -2.205 1.00 0.00 C ATOM 0 H ALA A 53 3.379 16.883 0.442 1.00 0.00 H new ATOM 0 HA ALA A 53 1.655 18.276 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.309 17.646 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.008 18.743 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.378 17.003 -1.979 1.00 0.00 H new ATOM 743 N VAL A 54 0.582 16.155 -2.148 1.00 0.00 N ATOM 744 CA VAL A 54 -0.118 14.916 -2.466 1.00 0.00 C ATOM 745 C VAL A 54 0.469 14.256 -3.709 1.00 0.00 C ATOM 746 O VAL A 54 0.272 14.731 -4.827 1.00 0.00 O ATOM 747 CB VAL A 54 -1.622 15.164 -2.691 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.295 13.911 -3.230 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.285 15.623 -1.401 1.00 0.00 C ATOM 0 H VAL A 54 0.072 17.003 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 54 0.010 14.252 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.735 15.955 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.357 14.105 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.837 13.632 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.174 13.097 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.347 15.793 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.163 14.856 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.820 16.549 -1.063 1.00 0.00 H new ATOM 759 N GLU A 55 1.190 13.159 -3.504 1.00 0.00 N ATOM 760 CA GLU A 55 1.806 12.434 -4.609 1.00 0.00 C ATOM 761 C GLU A 55 0.862 11.365 -5.153 1.00 0.00 C ATOM 762 O GLU A 55 -0.064 10.935 -4.467 1.00 0.00 O ATOM 763 CB GLU A 55 3.118 11.788 -4.157 1.00 0.00 C ATOM 764 CG GLU A 55 4.321 12.709 -4.272 1.00 0.00 C ATOM 765 CD GLU A 55 4.605 13.122 -5.703 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.528 12.253 -6.597 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.904 14.313 -5.929 1.00 0.00 O ATOM 0 H GLU A 55 1.362 12.753 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 55 2.016 13.148 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.016 11.465 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.297 10.894 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.151 13.600 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.198 12.208 -3.862 1.00 0.00 H new ATOM 774 N GLU A 56 1.104 10.944 -6.390 1.00 0.00 N ATOM 775 CA GLU A 56 0.274 9.927 -7.026 1.00 0.00 C ATOM 776 C GLU A 56 1.042 8.617 -7.181 1.00 0.00 C ATOM 777 O GLU A 56 2.273 8.606 -7.204 1.00 0.00 O ATOM 778 CB GLU A 56 -0.208 10.414 -8.394 1.00 0.00 C ATOM 779 CG GLU A 56 0.921 10.734 -9.359 1.00 0.00 C ATOM 780 CD GLU A 56 0.420 11.111 -10.740 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.732 10.760 -11.069 1.00 0.00 O ATOM 782 OE2 GLU A 56 1.181 11.757 -11.491 1.00 0.00 O ATOM 0 H GLU A 56 1.867 11.291 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.591 9.747 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.848 9.651 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.821 11.305 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.516 11.554 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.581 9.870 -9.439 1.00 0.00 H new ATOM 789 N CYS A 57 0.306 7.517 -7.287 1.00 0.00 N ATOM 790 CA CYS A 57 0.916 6.200 -7.438 1.00 0.00 C ATOM 791 C CYS A 57 0.621 5.620 -8.817 1.00 0.00 C ATOM 792 O CYS A 57 -0.203 6.151 -9.562 1.00 0.00 O ATOM 793 CB CYS A 57 0.408 5.251 -6.352 1.00 0.00 C ATOM 794 SG CYS A 57 0.575 5.896 -4.671 1.00 0.00 S ATOM 0 H CYS A 57 -0.714 7.510 -7.271 1.00 0.00 H new ATOM 0 HA CYS A 57 1.995 6.313 -7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.642 5.028 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.952 4.309 -6.424 1.00 0.00 H new ATOM 0 HG CYS A 57 1.681 5.458 -4.146 1.00 0.00 H new ATOM 800 N TYR A 58 1.299 4.528 -9.151 1.00 0.00 N ATOM 801 CA TYR A 58 1.113 3.877 -10.443 1.00 0.00 C ATOM 802 C TYR A 58 0.383 2.546 -10.282 1.00 0.00 C ATOM 803 O TYR A 58 0.910 1.604 -9.690 1.00 0.00 O ATOM 804 CB TYR A 58 2.463 3.652 -11.124 1.00 0.00 C ATOM 805 CG TYR A 58 2.351 3.292 -12.588 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.111 1.983 -12.986 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.485 4.262 -13.574 1.00 0.00 C ATOM 808 CE1 TYR A 58 2.008 1.649 -14.323 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.382 3.938 -14.913 1.00 0.00 C ATOM 810 CZ TYR A 58 2.143 2.631 -15.282 1.00 0.00 C ATOM 811 OH TYR A 58 2.041 2.304 -16.615 1.00 0.00 O ATOM 0 H TYR A 58 1.983 4.074 -8.545 1.00 0.00 H new ATOM 0 HA TYR A 58 0.504 4.532 -11.067 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.065 4.555 -11.026 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.995 2.856 -10.603 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.003 1.212 -12.237 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.673 5.287 -13.289 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.823 0.626 -14.615 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.488 4.704 -15.667 1.00 0.00 H new ATOM 0 HH TYR A 58 2.159 3.110 -17.160 1.00 0.00 H new ATOM 821 N VAL A 59 -0.833 2.477 -10.814 1.00 0.00 N ATOM 822 CA VAL A 59 -1.635 1.263 -10.732 1.00 0.00 C ATOM 823 C VAL A 59 -2.266 0.929 -12.079 1.00 0.00 C ATOM 824 O VAL A 59 -2.865 1.789 -12.725 1.00 0.00 O ATOM 825 CB VAL A 59 -2.748 1.395 -9.675 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.391 2.772 -9.746 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.789 0.301 -9.858 1.00 0.00 C ATOM 0 H VAL A 59 -1.284 3.248 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.961 0.458 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.303 1.279 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.175 2.847 -8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.636 3.536 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.824 2.921 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.568 0.410 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.232 0.383 -10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.314 -0.674 -9.752 1.00 0.00 H new ATOM 917 N LYS A 66 -6.594 -8.294 -8.697 1.00 0.00 N ATOM 918 CA LYS A 66 -5.593 -7.647 -7.858 1.00 0.00 C ATOM 919 C LYS A 66 -4.947 -6.474 -8.588 1.00 0.00 C ATOM 920 O LYS A 66 -4.991 -6.394 -9.816 1.00 0.00 O ATOM 921 CB LYS A 66 -4.520 -8.655 -7.440 1.00 0.00 C ATOM 922 CG LYS A 66 -3.342 -8.721 -8.396 1.00 0.00 C ATOM 923 CD LYS A 66 -3.750 -9.289 -9.745 1.00 0.00 C ATOM 924 CE LYS A 66 -2.589 -9.998 -10.426 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.799 -10.121 -11.895 1.00 0.00 N ATOM 0 HA LYS A 66 -6.093 -7.267 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.156 -8.395 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.972 -9.644 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.926 -7.723 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.555 -9.339 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.576 -9.987 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.112 -8.485 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.667 -9.449 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.465 -10.990 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.986 -10.609 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.666 -10.666 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.892 -9.173 -12.313 1.00 0.00 H new ATOM 939 N HIS A 67 -4.345 -5.567 -7.825 1.00 0.00 N ATOM 940 CA HIS A 67 -3.688 -4.399 -8.401 1.00 0.00 C ATOM 941 C HIS A 67 -2.255 -4.276 -7.890 1.00 0.00 C ATOM 942 O HIS A 67 -1.908 -4.823 -6.843 1.00 0.00 O ATOM 943 CB HIS A 67 -4.471 -3.129 -8.066 1.00 0.00 C ATOM 944 CG HIS A 67 -5.772 -3.017 -8.800 1.00 0.00 C ATOM 945 ND1 HIS A 67 -5.861 -2.615 -10.116 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.041 -3.259 -8.396 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.128 -2.612 -10.489 1.00 0.00 C ATOM 948 NE2 HIS A 67 -7.865 -3.000 -9.464 1.00 0.00 N ATOM 0 H HIS A 67 -4.299 -5.618 -6.807 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.661 -4.525 -9.483 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.665 -3.104 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.855 -2.260 -8.299 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.348 -3.593 -7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.498 -2.339 -11.466 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.881 -3.092 -9.465 1.00 0.00 H new ATOM 957 N THR A 68 -1.426 -3.554 -8.638 1.00 0.00 N ATOM 958 CA THR A 68 -0.031 -3.360 -8.263 1.00 0.00 C ATOM 959 C THR A 68 0.319 -1.879 -8.192 1.00 0.00 C ATOM 960 O THR A 68 0.200 -1.155 -9.182 1.00 0.00 O ATOM 961 CB THR A 68 0.920 -4.054 -9.257 1.00 0.00 C ATOM 962 OG1 THR A 68 0.538 -5.424 -9.425 1.00 0.00 O ATOM 963 CG2 THR A 68 2.359 -3.980 -8.771 1.00 0.00 C ATOM 0 H THR A 68 -1.697 -3.094 -9.507 1.00 0.00 H new ATOM 0 HA THR A 68 0.096 -3.808 -7.277 1.00 0.00 H new ATOM 0 HB THR A 68 0.850 -3.537 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.146 -5.858 -10.059 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.012 -4.477 -9.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.656 -2.936 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.442 -4.474 -7.803 1.00 0.00 H new ATOM 971 N ILE A 69 0.753 -1.433 -7.018 1.00 0.00 N ATOM 972 CA ILE A 69 1.122 -0.037 -6.820 1.00 0.00 C ATOM 973 C ILE A 69 2.628 0.159 -6.960 1.00 0.00 C ATOM 974 O ILE A 69 3.410 -0.753 -6.690 1.00 0.00 O ATOM 975 CB ILE A 69 0.676 0.473 -5.437 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.622 -0.215 -5.010 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.498 1.984 -5.462 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.812 0.153 -5.868 1.00 0.00 C ATOM 0 H ILE A 69 0.858 -2.018 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 69 0.610 0.537 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 69 1.450 0.230 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.480 -1.295 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.837 0.045 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.183 2.330 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.443 2.457 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.260 2.249 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.697 -0.372 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.981 1.229 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.617 -0.132 -6.902 1.00 0.00 H new ATOM 990 N ARG A 70 3.027 1.354 -7.383 1.00 0.00 N ATOM 991 CA ARG A 70 4.439 1.669 -7.558 1.00 0.00 C ATOM 992 C ARG A 70 4.698 3.154 -7.321 1.00 0.00 C ATOM 993 O ARG A 70 4.120 4.011 -7.990 1.00 0.00 O ATOM 994 CB ARG A 70 4.901 1.279 -8.963 1.00 0.00 C ATOM 995 CG ARG A 70 6.410 1.158 -9.097 1.00 0.00 C ATOM 996 CD ARG A 70 6.797 0.373 -10.341 1.00 0.00 C ATOM 997 NE ARG A 70 6.790 1.207 -11.539 1.00 0.00 N ATOM 998 CZ ARG A 70 7.497 0.934 -12.630 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.265 -0.147 -12.673 1.00 0.00 N ATOM 1000 NH2 ARG A 70 7.438 1.742 -13.681 1.00 0.00 N ATOM 0 H ARG A 70 2.392 2.119 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 70 5.006 1.096 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.443 0.328 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.540 2.022 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.854 2.153 -9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.817 0.666 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.789 -0.057 -10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.105 -0.459 -10.474 1.00 0.00 H new ATOM 0 HE ARG A 70 6.210 2.046 -11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.313 -0.771 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.807 -0.355 -13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.849 2.574 -13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.982 1.531 -14.518 1.00 0.00 H new ATOM 1014 N PHE A 71 5.570 3.452 -6.363 1.00 0.00 N ATOM 1015 CA PHE A 71 5.904 4.833 -6.036 1.00 0.00 C ATOM 1016 C PHE A 71 7.236 4.910 -5.295 1.00 0.00 C ATOM 1017 O PHE A 71 7.628 3.970 -4.602 1.00 0.00 O ATOM 1018 CB PHE A 71 4.798 5.460 -5.185 1.00 0.00 C ATOM 1019 CG PHE A 71 4.428 4.639 -3.983 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.299 4.523 -2.912 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.209 3.983 -3.925 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.961 3.769 -1.804 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.866 3.227 -2.820 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.743 3.119 -1.759 1.00 0.00 C ATOM 0 H PHE A 71 6.058 2.755 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 71 5.994 5.389 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.120 6.448 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.912 5.604 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.253 5.028 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.519 4.063 -4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.648 3.688 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.912 2.721 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.477 2.527 -0.895 1.00 0.00 H new ATOM 1034 N ILE A 72 7.927 6.034 -5.447 1.00 0.00 N ATOM 1035 CA ILE A 72 9.214 6.234 -4.793 1.00 0.00 C ATOM 1036 C ILE A 72 9.177 7.443 -3.864 1.00 0.00 C ATOM 1037 O ILE A 72 8.827 8.554 -4.263 1.00 0.00 O ATOM 1038 CB ILE A 72 10.345 6.426 -5.821 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.666 5.099 -6.512 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.585 6.991 -5.145 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.460 5.259 -7.789 1.00 0.00 C ATOM 0 H ILE A 72 7.617 6.821 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 72 9.413 5.335 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 72 10.012 7.137 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.225 4.466 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.734 4.581 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.375 7.121 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.347 7.955 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.923 6.303 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.651 4.278 -8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.894 5.865 -8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.408 5.749 -7.569 1.00 0.00 H new ATOM 1053 N PRO A 73 9.547 7.224 -2.593 1.00 0.00 N ATOM 1054 CA PRO A 73 9.567 8.284 -1.581 1.00 0.00 C ATOM 1055 C PRO A 73 10.673 9.304 -1.831 1.00 0.00 C ATOM 1056 O PRO A 73 11.772 9.189 -1.287 1.00 0.00 O ATOM 1057 CB PRO A 73 9.825 7.524 -0.277 1.00 0.00 C ATOM 1058 CG PRO A 73 10.531 6.281 -0.696 1.00 0.00 C ATOM 1059 CD PRO A 73 9.976 5.925 -2.048 1.00 0.00 C ATOM 0 HA PRO A 73 8.643 8.862 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.433 8.112 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.892 7.295 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.608 6.442 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.362 5.476 0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.728 5.453 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.142 5.227 -1.969 1.00 0.00 H new ATOM 1067 N HIS A 74 10.376 10.302 -2.657 1.00 0.00 N ATOM 1068 CA HIS A 74 11.345 11.343 -2.978 1.00 0.00 C ATOM 1069 C HIS A 74 12.069 11.817 -1.721 1.00 0.00 C ATOM 1070 O HIS A 74 13.245 12.176 -1.770 1.00 0.00 O ATOM 1071 CB HIS A 74 10.651 12.524 -3.657 1.00 0.00 C ATOM 1072 CG HIS A 74 10.416 12.319 -5.122 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.662 11.280 -5.625 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.838 13.029 -6.194 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.632 11.357 -6.943 1.00 0.00 C ATOM 1076 NE2 HIS A 74 10.338 12.411 -7.314 1.00 0.00 N ATOM 0 H HIS A 74 9.472 10.412 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 74 12.081 10.921 -3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.695 12.704 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.256 13.420 -3.516 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.199 10.563 -5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.453 13.916 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.118 10.675 -7.605 1.00 0.00 H new ATOM 1085 N GLU A 75 11.358 11.817 -0.598 1.00 0.00 N ATOM 1086 CA GLU A 75 11.933 12.249 0.670 1.00 0.00 C ATOM 1087 C GLU A 75 11.737 11.185 1.747 1.00 0.00 C ATOM 1088 O GLU A 75 10.724 10.487 1.767 1.00 0.00 O ATOM 1089 CB GLU A 75 11.301 13.568 1.119 1.00 0.00 C ATOM 1090 CG GLU A 75 11.270 13.745 2.628 1.00 0.00 C ATOM 1091 CD GLU A 75 10.989 15.176 3.042 1.00 0.00 C ATOM 1092 OE1 GLU A 75 11.294 16.093 2.250 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.464 15.380 4.156 1.00 0.00 O ATOM 0 H GLU A 75 10.383 11.523 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 75 13.003 12.399 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.854 14.396 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.283 13.623 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.507 13.092 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.226 13.431 3.047 1.00 0.00 H new ATOM 1100 N ASN A 76 12.715 11.068 2.639 1.00 0.00 N ATOM 1101 CA ASN A 76 12.651 10.089 3.719 1.00 0.00 C ATOM 1102 C ASN A 76 11.505 10.408 4.675 1.00 0.00 C ATOM 1103 O ASN A 76 10.965 11.513 4.667 1.00 0.00 O ATOM 1104 CB ASN A 76 13.975 10.057 4.485 1.00 0.00 C ATOM 1105 CG ASN A 76 15.018 9.195 3.800 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.799 7.886 3.804 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 16.009 9.702 3.273 1.00 0.00 N flip ATOM 0 H ASN A 76 13.561 11.638 2.636 1.00 0.00 H new ATOM 0 HA ASN A 76 12.470 9.109 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.357 11.073 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.800 9.679 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.136 10.714 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.702 9.110 2.815 1.00 0.00 H new ATOM 1114 N GLY A 77 11.140 9.430 5.499 1.00 0.00 N ATOM 1115 CA GLY A 77 10.061 9.626 6.450 1.00 0.00 C ATOM 1116 C GLY A 77 8.872 8.728 6.170 1.00 0.00 C ATOM 1117 O GLY A 77 8.718 8.218 5.060 1.00 0.00 O ATOM 0 H GLY A 77 11.572 8.506 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.429 9.433 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.741 10.667 6.422 1.00 0.00 H new ATOM 1121 N VAL A 78 8.029 8.534 7.179 1.00 0.00 N ATOM 1122 CA VAL A 78 6.848 7.691 7.037 1.00 0.00 C ATOM 1123 C VAL A 78 5.786 8.373 6.181 1.00 0.00 C ATOM 1124 O VAL A 78 5.313 9.461 6.510 1.00 0.00 O ATOM 1125 CB VAL A 78 6.239 7.342 8.408 1.00 0.00 C ATOM 1126 CG1 VAL A 78 5.012 6.459 8.239 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.275 6.665 9.294 1.00 0.00 C ATOM 0 H VAL A 78 8.142 8.949 8.104 1.00 0.00 H new ATOM 0 HA VAL A 78 7.172 6.773 6.547 1.00 0.00 H new ATOM 0 HB VAL A 78 5.927 8.267 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.596 6.223 9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.265 6.984 7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.295 5.536 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.828 6.425 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.619 5.748 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.121 7.336 9.443 1.00 0.00 H new ATOM 1137 N HIS A 79 5.416 7.726 5.081 1.00 0.00 N ATOM 1138 CA HIS A 79 4.409 8.269 4.177 1.00 0.00 C ATOM 1139 C HIS A 79 3.039 7.658 4.459 1.00 0.00 C ATOM 1140 O HIS A 79 2.938 6.584 5.051 1.00 0.00 O ATOM 1141 CB HIS A 79 4.805 8.011 2.723 1.00 0.00 C ATOM 1142 CG HIS A 79 6.115 8.629 2.341 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.115 8.896 3.252 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.587 9.031 1.137 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.145 9.437 2.625 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.850 9.529 1.341 1.00 0.00 N ATOM 0 H HIS A 79 5.798 6.825 4.794 1.00 0.00 H new ATOM 0 HA HIS A 79 4.350 9.344 4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.857 6.935 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.025 8.399 2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.067 8.971 0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.071 9.751 3.085 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.461 9.909 0.618 1.00 0.00 H new ATOM 1155 N SER A 80 1.988 8.350 4.031 1.00 0.00 N ATOM 1156 CA SER A 80 0.625 7.878 4.242 1.00 0.00 C ATOM 1157 C SER A 80 0.023 7.357 2.940 1.00 0.00 C ATOM 1158 O SER A 80 -0.201 8.119 1.999 1.00 0.00 O ATOM 1159 CB SER A 80 -0.246 9.003 4.805 1.00 0.00 C ATOM 1160 OG SER A 80 -0.169 9.047 6.220 1.00 0.00 O ATOM 0 H SER A 80 2.054 9.239 3.536 1.00 0.00 H new ATOM 0 HA SER A 80 0.658 7.059 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.075 9.958 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.281 8.854 4.498 1.00 0.00 H new ATOM 0 HG SER A 80 -0.733 9.775 6.556 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.236 6.055 2.895 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.813 5.432 1.710 1.00 0.00 C ATOM 1168 C ILE A 81 -2.335 5.392 1.795 1.00 0.00 C ATOM 1169 O ILE A 81 -2.903 4.639 2.586 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.284 3.998 1.514 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.203 3.927 1.868 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.515 3.540 0.082 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.092 4.671 0.896 1.00 0.00 C ATOM 0 H ILE A 81 -0.056 5.411 3.665 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.515 6.041 0.857 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.830 3.331 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.350 4.335 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.511 2.882 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.136 2.525 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.582 3.558 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.008 4.208 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.132 4.578 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.974 4.248 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.811 5.724 0.879 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.989 6.207 0.975 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.446 6.264 0.954 1.00 0.00 C ATOM 1187 C ASP A 82 -5.015 5.252 -0.035 1.00 0.00 C ATOM 1188 O ASP A 82 -4.888 5.415 -1.248 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.917 7.673 0.590 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.757 8.651 1.737 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.758 8.539 2.477 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.632 9.529 1.894 1.00 0.00 O ATOM 0 H ASP A 82 -2.533 6.838 0.316 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.810 6.014 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.352 8.031 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.964 7.637 0.291 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.643 4.205 0.493 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.232 3.166 -0.343 1.00 0.00 C ATOM 1199 C VAL A 83 -7.750 3.144 -0.203 1.00 0.00 C ATOM 1200 O VAL A 83 -8.283 2.785 0.847 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.674 1.776 0.014 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.296 0.707 -0.873 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.158 1.764 -0.107 1.00 0.00 C ATOM 0 H VAL A 83 -5.757 4.055 1.495 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.968 3.401 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.935 1.553 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.890 -0.269 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.377 0.701 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.067 0.922 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.780 0.774 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.873 2.008 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.733 2.502 0.574 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.442 3.529 -1.270 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.900 3.552 -1.269 1.00 0.00 C ATOM 1215 C LYS A 84 -10.462 2.490 -2.210 1.00 0.00 C ATOM 1216 O LYS A 84 -9.928 2.264 -3.296 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.409 4.935 -1.682 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.200 6.002 -0.621 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.707 7.357 -1.086 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.488 8.427 -0.027 1.00 0.00 C ATOM 1221 NZ LYS A 84 -9.041 8.690 0.204 1.00 0.00 N ATOM 0 H LYS A 84 -8.016 3.829 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.241 3.333 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.903 5.241 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.472 4.868 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.718 5.713 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.140 6.073 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.195 7.643 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.769 7.288 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.980 9.349 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.954 8.114 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.932 9.544 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.615 7.879 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.564 8.831 -0.709 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.542 1.843 -1.786 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.176 0.805 -2.591 1.00 0.00 C ATOM 1237 C PHE A 85 -13.674 1.064 -2.729 1.00 0.00 C ATOM 1238 O PHE A 85 -14.414 1.024 -1.748 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.940 -0.571 -1.966 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.356 -1.711 -2.851 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.858 -1.822 -4.139 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.244 -2.671 -2.395 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.238 -2.870 -4.957 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.627 -3.722 -3.207 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.124 -3.821 -4.490 1.00 0.00 C ATOM 0 H PHE A 85 -11.997 2.019 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.728 0.826 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.882 -0.675 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.488 -0.633 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.165 -1.081 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.642 -2.598 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.843 -2.945 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.319 -4.465 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.423 -4.641 -5.127 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.112 1.328 -3.956 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.521 1.594 -4.224 1.00 0.00 C ATOM 1257 C ASN A 86 -16.069 2.642 -3.259 1.00 0.00 C ATOM 1258 O ASN A 86 -17.099 2.433 -2.620 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.335 0.304 -4.110 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.378 -0.469 -5.414 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -16.201 0.099 -6.492 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.614 -1.773 -5.321 1.00 0.00 N ATOM 0 H ASN A 86 -13.512 1.363 -4.780 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.606 1.981 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.905 -0.326 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.352 0.545 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.654 -2.345 -6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.755 -2.202 -4.406 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.373 3.770 -3.161 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.805 4.834 -2.274 1.00 0.00 C ATOM 1271 C GLY A 87 -15.881 4.387 -0.827 1.00 0.00 C ATOM 1272 O GLY A 87 -16.937 4.465 -0.201 1.00 0.00 O ATOM 0 H GLY A 87 -14.517 3.966 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -15.115 5.674 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.784 5.193 -2.592 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.757 3.917 -0.295 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.701 3.456 1.087 1.00 0.00 C ATOM 1278 C ALA A 88 -13.260 3.226 1.530 1.00 0.00 C ATOM 1279 O ALA A 88 -12.448 2.684 0.779 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.516 2.183 1.252 1.00 0.00 C ATOM 0 H ALA A 88 -13.874 3.846 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.129 4.232 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.465 1.850 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.554 2.378 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.114 1.406 0.602 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.948 3.641 2.753 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.604 3.479 3.296 1.00 0.00 C ATOM 1288 C HIS A 89 -11.391 2.057 3.805 1.00 0.00 C ATOM 1289 O HIS A 89 -12.153 1.565 4.638 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.365 4.479 4.428 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.794 5.784 3.964 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.441 6.045 3.933 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.402 6.904 3.508 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.241 7.270 3.481 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.415 7.812 3.215 1.00 0.00 N ATOM 0 H HIS A 89 -13.607 4.092 3.387 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.890 3.670 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.308 4.666 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.688 4.034 5.158 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.708 5.394 4.215 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.465 7.055 3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.281 7.747 3.351 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.352 1.401 3.298 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.040 0.036 3.701 1.00 0.00 C ATOM 1306 C ILE A 90 -9.579 -0.016 5.154 1.00 0.00 C ATOM 1307 O ILE A 90 -9.011 0.939 5.685 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.949 -0.580 2.805 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.605 0.108 3.055 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.342 -0.470 1.340 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.411 -0.762 2.728 1.00 0.00 C ATOM 0 H ILE A 90 -9.712 1.793 2.607 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.957 -0.543 3.592 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.848 -1.636 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.555 1.019 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.549 0.409 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.561 -0.910 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.279 -1.001 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.468 0.580 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.493 -0.210 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.436 -1.661 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.443 -1.042 1.675 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.825 -1.158 5.812 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.441 -1.364 7.212 1.00 0.00 C ATOM 1325 C PRO A 91 -7.931 -1.473 7.389 1.00 0.00 C ATOM 1326 O PRO A 91 -7.332 -2.500 7.069 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.120 -2.687 7.575 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.273 -3.403 6.278 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.498 -2.337 5.241 1.00 0.00 C ATOM 0 HA PRO A 91 -9.741 -0.528 7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.516 -3.263 8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.086 -2.519 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.383 -3.989 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.112 -4.098 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.071 -2.617 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.560 -2.153 5.077 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.320 -0.409 7.900 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.884 -0.407 8.110 1.00 0.00 C ATOM 1339 C GLY A 92 -5.202 0.773 7.446 1.00 0.00 C ATOM 1340 O GLY A 92 -4.041 1.066 7.728 1.00 0.00 O ATOM 0 H GLY A 92 -7.794 0.452 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.677 -0.388 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.462 -1.333 7.720 1.00 0.00 H new ATOM 1344 N SER A 93 -5.926 1.451 6.561 1.00 0.00 N ATOM 1345 CA SER A 93 -5.382 2.603 5.851 1.00 0.00 C ATOM 1346 C SER A 93 -5.649 3.892 6.621 1.00 0.00 C ATOM 1347 O SER A 93 -6.609 4.002 7.384 1.00 0.00 O ATOM 1348 CB SER A 93 -5.988 2.697 4.449 1.00 0.00 C ATOM 1349 OG SER A 93 -6.079 4.046 4.023 1.00 0.00 O ATOM 0 H SER A 93 -6.890 1.223 6.319 1.00 0.00 H new ATOM 0 HA SER A 93 -4.304 2.470 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.377 2.131 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.979 2.244 4.447 1.00 0.00 H new ATOM 0 HG SER A 93 -6.735 4.117 3.298 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.779 4.893 6.418 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.632 4.773 5.513 1.00 0.00 C ATOM 1357 C PRO A 94 -2.566 3.824 6.051 1.00 0.00 C ATOM 1358 O PRO A 94 -2.376 3.710 7.262 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.088 6.202 5.439 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.522 6.839 6.714 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.848 6.218 7.057 1.00 0.00 C ATOM 0 HA PRO A 94 -3.917 4.360 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.002 6.208 5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.487 6.733 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.793 6.664 7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.615 7.919 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.987 6.138 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.680 6.807 6.671 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.872 3.146 5.143 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.825 2.207 5.526 1.00 0.00 C ATOM 1371 C PHE A 95 0.488 2.936 5.797 1.00 0.00 C ATOM 1372 O PHE A 95 1.173 3.371 4.871 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.622 1.160 4.429 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.705 0.120 4.386 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.990 -0.649 5.503 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.437 -0.090 3.228 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.986 -1.607 5.467 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.435 -1.046 3.186 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.709 -1.806 4.306 1.00 0.00 C ATOM 0 H PHE A 95 -2.016 3.230 4.137 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.139 1.707 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.573 1.662 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.338 0.667 4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.427 -0.498 6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.225 0.500 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.199 -2.199 6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.000 -1.198 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.487 -2.555 4.275 1.00 0.00 H new ATOM 1389 N LYS A 96 0.833 3.067 7.074 1.00 0.00 N ATOM 1390 CA LYS A 96 2.063 3.743 7.469 1.00 0.00 C ATOM 1391 C LYS A 96 3.283 2.889 7.138 1.00 0.00 C ATOM 1392 O LYS A 96 3.528 1.865 7.777 1.00 0.00 O ATOM 1393 CB LYS A 96 2.038 4.056 8.967 1.00 0.00 C ATOM 1394 CG LYS A 96 0.972 5.065 9.359 1.00 0.00 C ATOM 1395 CD LYS A 96 1.372 6.478 8.973 1.00 0.00 C ATOM 1396 CE LYS A 96 2.163 7.157 10.081 1.00 0.00 C ATOM 1397 NZ LYS A 96 2.351 8.610 9.819 1.00 0.00 N ATOM 0 H LYS A 96 0.278 2.714 7.853 1.00 0.00 H new ATOM 0 HA LYS A 96 2.132 4.676 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.873 3.132 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.014 4.436 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.030 4.807 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.801 5.015 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.970 6.452 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.479 7.062 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.645 7.024 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.137 6.677 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.894 9.036 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.868 8.738 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.422 9.074 9.751 1.00 0.00 H new ATOM 1411 N ILE A 97 4.045 3.318 6.138 1.00 0.00 N ATOM 1412 CA ILE A 97 5.241 2.593 5.725 1.00 0.00 C ATOM 1413 C ILE A 97 6.503 3.378 6.064 1.00 0.00 C ATOM 1414 O ILE A 97 6.624 4.556 5.728 1.00 0.00 O ATOM 1415 CB ILE A 97 5.225 2.297 4.213 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.909 3.569 3.425 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.213 1.206 3.898 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.428 3.544 2.004 1.00 0.00 C ATOM 0 H ILE A 97 3.856 4.163 5.599 1.00 0.00 H new ATOM 0 HA ILE A 97 5.244 1.650 6.272 1.00 0.00 H new ATOM 0 HB ILE A 97 6.213 1.945 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.829 3.716 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.339 4.425 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.213 1.008 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.480 0.296 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.219 1.531 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.168 4.478 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.512 3.428 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.979 2.708 1.467 1.00 0.00 H new ATOM 1430 N ARG A 98 7.443 2.716 6.732 1.00 0.00 N ATOM 1431 CA ARG A 98 8.698 3.352 7.117 1.00 0.00 C ATOM 1432 C ARG A 98 9.664 3.407 5.937 1.00 0.00 C ATOM 1433 O ARG A 98 9.823 2.429 5.205 1.00 0.00 O ATOM 1434 CB ARG A 98 9.341 2.596 8.281 1.00 0.00 C ATOM 1435 CG ARG A 98 10.545 3.306 8.877 1.00 0.00 C ATOM 1436 CD ARG A 98 11.798 3.070 8.048 1.00 0.00 C ATOM 1437 NE ARG A 98 13.009 3.114 8.863 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.356 2.157 9.716 1.00 0.00 C ATOM 1439 NH1 ARG A 98 12.588 1.087 9.866 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.474 2.269 10.422 1.00 0.00 N ATOM 0 H ARG A 98 7.359 1.740 7.018 1.00 0.00 H new ATOM 0 HA ARG A 98 8.478 4.372 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.595 2.446 9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.646 1.608 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.344 4.376 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.709 2.953 9.895 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.729 2.101 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.861 3.824 7.264 1.00 0.00 H new ATOM 0 HE ARG A 98 13.622 3.924 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.728 0.997 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.857 0.354 10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.068 3.091 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.739 1.533 11.077 1.00 0.00 H new ATOM 1454 N VAL A 99 10.305 4.557 5.757 1.00 0.00 N ATOM 1455 CA VAL A 99 11.256 4.740 4.667 1.00 0.00 C ATOM 1456 C VAL A 99 12.586 5.278 5.181 1.00 0.00 C ATOM 1457 O VAL A 99 12.689 6.442 5.568 1.00 0.00 O ATOM 1458 CB VAL A 99 10.705 5.701 3.597 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.775 6.021 2.564 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.471 5.109 2.933 1.00 0.00 C ATOM 0 H VAL A 99 10.183 5.376 6.352 1.00 0.00 H new ATOM 0 HA VAL A 99 11.414 3.760 4.218 1.00 0.00 H new ATOM 0 HB VAL A 99 10.415 6.632 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.367 6.701 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.627 6.491 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.099 5.100 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.095 5.802 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.732 4.163 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.700 4.937 3.685 1.00 0.00 H new