USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.43) USER MOD Set 2.1: A 35 GLN : amide:sc= 0 X(o=-0.51,f=-0.51) USER MOD Set 2.2: A 37 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.86) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.292 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= -0.279 X(o=-0.28,f=-0.058) USER MOD Single : A 22 THR OG1 : rot 37:sc= 0.167 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.929 F(o=-1.5,f=-0.93) USER MOD Single : A 28 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -96:sc= 1.69 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -112:sc= -0.429 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 :FLIP no HD1:sc= -1.83 F(o=-3.7,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-2.8!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.204 F(o=-1.5,f=-0.2) USER MOD Single : A 79 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.67) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= 0.669 F(o=-0.01,f=0.67) USER MOD Single : A 93 SER OG : rot -150:sc= -0.991 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.467 -4.235 1.026 1.00 0.00 N ATOM 102 CA ALA A 11 -13.099 -3.763 1.202 1.00 0.00 C ATOM 103 C ALA A 11 -12.440 -4.427 2.407 1.00 0.00 C ATOM 104 O ALA A 11 -11.216 -4.425 2.536 1.00 0.00 O ATOM 105 CB ALA A 11 -13.078 -2.250 1.354 1.00 0.00 C ATOM 0 HA ALA A 11 -12.530 -4.036 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.050 -1.912 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.501 -1.789 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.668 -1.964 2.225 1.00 0.00 H new ATOM 111 N ARG A 12 -13.260 -4.994 3.286 1.00 0.00 N ATOM 112 CA ARG A 12 -12.756 -5.660 4.481 1.00 0.00 C ATOM 113 C ARG A 12 -11.974 -6.918 4.114 1.00 0.00 C ATOM 114 O ARG A 12 -11.237 -7.464 4.934 1.00 0.00 O ATOM 115 CB ARG A 12 -13.912 -6.020 5.416 1.00 0.00 C ATOM 116 CG ARG A 12 -14.916 -4.894 5.604 1.00 0.00 C ATOM 117 CD ARG A 12 -14.249 -3.635 6.136 1.00 0.00 C ATOM 118 NE ARG A 12 -15.199 -2.757 6.813 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.879 -1.561 7.295 1.00 0.00 C ATOM 120 NH1 ARG A 12 -13.641 -1.103 7.173 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.800 -0.821 7.899 1.00 0.00 N ATOM 0 H ARG A 12 -14.276 -5.005 3.193 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.084 -4.972 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.429 -6.894 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.508 -6.301 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.401 -4.676 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.697 -5.213 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.454 -3.911 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.781 -3.096 5.312 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.161 -3.079 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.931 -1.669 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.398 -0.184 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.754 -1.170 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.554 0.097 8.269 1.00 0.00 H new ATOM 135 N ARG A 13 -12.141 -7.372 2.876 1.00 0.00 N ATOM 136 CA ARG A 13 -11.453 -8.566 2.400 1.00 0.00 C ATOM 137 C ARG A 13 -10.118 -8.204 1.757 1.00 0.00 C ATOM 138 O ARG A 13 -9.320 -9.080 1.421 1.00 0.00 O ATOM 139 CB ARG A 13 -12.327 -9.319 1.397 1.00 0.00 C ATOM 140 CG ARG A 13 -13.609 -9.870 1.999 1.00 0.00 C ATOM 141 CD ARG A 13 -14.679 -10.079 0.939 1.00 0.00 C ATOM 142 NE ARG A 13 -14.616 -11.416 0.354 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.509 -11.882 -0.512 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.527 -11.123 -0.893 1.00 0.00 N ATOM 145 NH2 ARG A 13 -15.384 -13.110 -1.000 1.00 0.00 N ATOM 0 H ARG A 13 -12.747 -6.931 2.184 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.261 -9.210 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.580 -8.650 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.752 -10.142 0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.400 -10.816 2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.979 -9.183 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.663 -9.923 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.561 -9.333 0.153 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.844 -12.025 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.626 -10.178 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.211 -11.484 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.602 -13.697 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.070 -13.467 -1.665 1.00 0.00 H new ATOM 159 N LEU A 14 -9.881 -6.908 1.586 1.00 0.00 N ATOM 160 CA LEU A 14 -8.643 -6.429 0.982 1.00 0.00 C ATOM 161 C LEU A 14 -7.485 -6.517 1.970 1.00 0.00 C ATOM 162 O LEU A 14 -7.625 -6.161 3.141 1.00 0.00 O ATOM 163 CB LEU A 14 -8.811 -4.986 0.502 1.00 0.00 C ATOM 164 CG LEU A 14 -9.937 -4.739 -0.501 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.051 -3.256 -0.822 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.707 -5.545 -1.771 1.00 0.00 C ATOM 0 H LEU A 14 -10.530 -6.170 1.857 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.415 -7.065 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.981 -4.352 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.873 -4.663 0.051 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.875 -5.066 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.858 -3.100 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.264 -2.701 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.113 -2.903 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.519 -5.356 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.760 -5.250 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.677 -6.607 -1.528 1.00 0.00 H new ATOM 178 N THR A 15 -6.339 -6.991 1.491 1.00 0.00 N ATOM 179 CA THR A 15 -5.156 -7.125 2.332 1.00 0.00 C ATOM 180 C THR A 15 -3.882 -6.877 1.533 1.00 0.00 C ATOM 181 O THR A 15 -3.896 -6.896 0.302 1.00 0.00 O ATOM 182 CB THR A 15 -5.080 -8.522 2.977 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.892 -8.632 3.769 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.088 -9.610 1.913 1.00 0.00 C ATOM 0 H THR A 15 -6.205 -7.289 0.525 1.00 0.00 H new ATOM 0 HA THR A 15 -5.241 -6.374 3.118 1.00 0.00 H new ATOM 0 HB THR A 15 -5.955 -8.652 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.852 -9.522 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.034 -10.588 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.007 -9.542 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.230 -9.481 1.254 1.00 0.00 H new ATOM 192 N VAL A 16 -2.781 -6.644 2.240 1.00 0.00 N ATOM 193 CA VAL A 16 -1.497 -6.394 1.596 1.00 0.00 C ATOM 194 C VAL A 16 -0.382 -7.189 2.265 1.00 0.00 C ATOM 195 O VAL A 16 -0.280 -7.227 3.491 1.00 0.00 O ATOM 196 CB VAL A 16 -1.136 -4.897 1.628 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.204 -4.656 0.949 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.231 -4.070 0.971 1.00 0.00 C ATOM 0 H VAL A 16 -2.752 -6.623 3.259 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.595 -6.715 0.559 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.051 -4.584 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.442 -3.593 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.981 -5.218 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.150 -4.984 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.959 -3.015 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.350 -4.383 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.169 -4.219 1.505 1.00 0.00 H new ATOM 208 N THR A 17 0.455 -7.825 1.450 1.00 0.00 N ATOM 209 CA THR A 17 1.563 -8.620 1.962 1.00 0.00 C ATOM 210 C THR A 17 2.888 -8.175 1.353 1.00 0.00 C ATOM 211 O THR A 17 3.770 -7.682 2.056 1.00 0.00 O ATOM 212 CB THR A 17 1.358 -10.120 1.675 1.00 0.00 C ATOM 213 OG1 THR A 17 0.129 -10.566 2.258 1.00 0.00 O ATOM 214 CG2 THR A 17 2.514 -10.940 2.227 1.00 0.00 C ATOM 0 H THR A 17 0.386 -7.804 0.433 1.00 0.00 H new ATOM 0 HA THR A 17 1.591 -8.464 3.040 1.00 0.00 H new ATOM 0 HB THR A 17 1.319 -10.259 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.005 -11.520 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.347 -11.995 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.445 -10.618 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.580 -10.795 3.305 1.00 0.00 H new ATOM 222 N SER A 18 3.020 -8.350 0.042 1.00 0.00 N ATOM 223 CA SER A 18 4.239 -7.969 -0.661 1.00 0.00 C ATOM 224 C SER A 18 4.847 -6.709 -0.050 1.00 0.00 C ATOM 225 O SER A 18 6.063 -6.612 0.119 1.00 0.00 O ATOM 226 CB SER A 18 3.946 -7.740 -2.145 1.00 0.00 C ATOM 227 OG SER A 18 5.132 -7.431 -2.857 1.00 0.00 O ATOM 0 H SER A 18 2.298 -8.753 -0.555 1.00 0.00 H new ATOM 0 HA SER A 18 4.957 -8.783 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.485 -8.632 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.229 -6.927 -2.256 1.00 0.00 H new ATOM 0 HG SER A 18 4.918 -7.291 -3.803 1.00 0.00 H new ATOM 233 N LEU A 19 3.992 -5.747 0.278 1.00 0.00 N ATOM 234 CA LEU A 19 4.443 -4.492 0.870 1.00 0.00 C ATOM 235 C LEU A 19 5.492 -4.745 1.948 1.00 0.00 C ATOM 236 O LEU A 19 5.445 -5.756 2.648 1.00 0.00 O ATOM 237 CB LEU A 19 3.257 -3.731 1.465 1.00 0.00 C ATOM 238 CG LEU A 19 3.601 -2.489 2.287 1.00 0.00 C ATOM 239 CD1 LEU A 19 4.096 -1.371 1.383 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.394 -2.031 3.092 1.00 0.00 C ATOM 0 H LEU A 19 2.983 -5.812 0.144 1.00 0.00 H new ATOM 0 HA LEU A 19 4.896 -3.889 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.597 -3.432 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.692 -4.416 2.097 1.00 0.00 H new ATOM 0 HG LEU A 19 4.400 -2.747 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.336 -0.495 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.988 -1.701 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.319 -1.114 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.657 -1.146 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.575 -1.791 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.084 -2.828 3.768 1.00 0.00 H new ATOM 252 N GLN A 20 6.436 -3.818 2.077 1.00 0.00 N ATOM 253 CA GLN A 20 7.495 -3.940 3.071 1.00 0.00 C ATOM 254 C GLN A 20 7.503 -2.737 4.009 1.00 0.00 C ATOM 255 O GLN A 20 8.116 -1.712 3.712 1.00 0.00 O ATOM 256 CB GLN A 20 8.855 -4.076 2.384 1.00 0.00 C ATOM 257 CG GLN A 20 9.882 -4.831 3.212 1.00 0.00 C ATOM 258 CD GLN A 20 9.795 -6.333 3.022 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.709 -7.089 3.990 1.00 0.00 O ATOM 260 NE2 GLN A 20 9.816 -6.773 1.769 1.00 0.00 N ATOM 0 H GLN A 20 6.489 -2.975 1.506 1.00 0.00 H new ATOM 0 HA GLN A 20 7.303 -4.836 3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.722 -4.588 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.241 -3.081 2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.882 -4.492 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.739 -4.593 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.888 -6.110 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.760 -7.774 1.579 1.00 0.00 H new ATOM 269 N GLU A 21 6.819 -2.871 5.141 1.00 0.00 N ATOM 270 CA GLU A 21 6.747 -1.793 6.121 1.00 0.00 C ATOM 271 C GLU A 21 8.142 -1.283 6.471 1.00 0.00 C ATOM 272 O GLU A 21 8.357 -0.079 6.619 1.00 0.00 O ATOM 273 CB GLU A 21 6.034 -2.272 7.387 1.00 0.00 C ATOM 274 CG GLU A 21 4.599 -2.708 7.149 1.00 0.00 C ATOM 275 CD GLU A 21 3.790 -2.777 8.429 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.061 -1.973 9.346 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.886 -3.635 8.516 1.00 0.00 O ATOM 0 H GLU A 21 6.307 -3.714 5.402 1.00 0.00 H new ATOM 0 HA GLU A 21 6.179 -0.973 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.592 -3.105 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.043 -1.470 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.122 -2.012 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.596 -3.686 6.668 1.00 0.00 H new ATOM 284 N THR A 22 9.088 -2.207 6.604 1.00 0.00 N ATOM 285 CA THR A 22 10.462 -1.853 6.939 1.00 0.00 C ATOM 286 C THR A 22 11.441 -2.423 5.919 1.00 0.00 C ATOM 287 O THR A 22 11.386 -3.606 5.584 1.00 0.00 O ATOM 288 CB THR A 22 10.846 -2.360 8.342 1.00 0.00 C ATOM 289 OG1 THR A 22 10.737 -3.786 8.394 1.00 0.00 O ATOM 290 CG2 THR A 22 9.953 -1.738 9.405 1.00 0.00 C ATOM 0 H THR A 22 8.928 -3.207 6.485 1.00 0.00 H new ATOM 0 HA THR A 22 10.521 -0.765 6.925 1.00 0.00 H new ATOM 0 HB THR A 22 11.877 -2.068 8.541 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.019 -4.167 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.243 -2.111 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.061 -0.654 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.914 -2.003 9.208 1.00 0.00 H new ATOM 298 N GLY A 23 12.338 -1.574 5.428 1.00 0.00 N ATOM 299 CA GLY A 23 13.318 -2.013 4.451 1.00 0.00 C ATOM 300 C GLY A 23 13.366 -1.111 3.233 1.00 0.00 C ATOM 301 O GLY A 23 14.386 -1.037 2.546 1.00 0.00 O ATOM 0 H GLY A 23 12.404 -0.590 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.303 -2.042 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.083 -3.030 4.137 1.00 0.00 H new ATOM 305 N LEU A 24 12.262 -0.425 2.963 1.00 0.00 N ATOM 306 CA LEU A 24 12.181 0.476 1.818 1.00 0.00 C ATOM 307 C LEU A 24 13.100 1.679 2.007 1.00 0.00 C ATOM 308 O LEU A 24 12.924 2.469 2.934 1.00 0.00 O ATOM 309 CB LEU A 24 10.740 0.947 1.615 1.00 0.00 C ATOM 310 CG LEU A 24 9.690 -0.154 1.458 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.309 0.450 1.262 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.045 -1.068 0.294 1.00 0.00 C ATOM 0 H LEU A 24 11.410 -0.475 3.521 1.00 0.00 H new ATOM 0 HA LEU A 24 12.505 -0.071 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.460 1.570 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.708 1.581 0.729 1.00 0.00 H new ATOM 0 HG LEU A 24 9.677 -0.750 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.575 -0.348 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.053 1.062 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.307 1.071 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.287 -1.845 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.087 -0.486 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.016 -1.529 0.476 1.00 0.00 H new ATOM 324 N LYS A 25 14.079 1.814 1.119 1.00 0.00 N ATOM 325 CA LYS A 25 15.024 2.923 1.184 1.00 0.00 C ATOM 326 C LYS A 25 14.438 4.175 0.539 1.00 0.00 C ATOM 327 O LYS A 25 13.358 4.135 -0.051 1.00 0.00 O ATOM 328 CB LYS A 25 16.334 2.545 0.490 1.00 0.00 C ATOM 329 CG LYS A 25 17.307 1.802 1.390 1.00 0.00 C ATOM 330 CD LYS A 25 18.559 1.389 0.636 1.00 0.00 C ATOM 331 CE LYS A 25 19.552 0.684 1.548 1.00 0.00 C ATOM 332 NZ LYS A 25 20.847 0.422 0.861 1.00 0.00 N ATOM 0 H LYS A 25 14.239 1.169 0.345 1.00 0.00 H new ATOM 0 HA LYS A 25 15.224 3.136 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.110 1.925 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.814 3.451 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.581 2.436 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.821 0.918 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.288 0.729 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.028 2.270 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.728 1.294 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.125 -0.259 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.496 -0.059 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.683 -0.181 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.267 1.323 0.557 1.00 0.00 H new ATOM 346 N VAL A 26 15.158 5.287 0.655 1.00 0.00 N ATOM 347 CA VAL A 26 14.710 6.550 0.081 1.00 0.00 C ATOM 348 C VAL A 26 14.880 6.557 -1.434 1.00 0.00 C ATOM 349 O VAL A 26 15.880 6.069 -1.958 1.00 0.00 O ATOM 350 CB VAL A 26 15.482 7.742 0.678 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.889 7.809 0.105 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.733 9.042 0.427 1.00 0.00 C ATOM 0 H VAL A 26 16.053 5.338 1.141 1.00 0.00 H new ATOM 0 HA VAL A 26 13.653 6.651 0.325 1.00 0.00 H new ATOM 0 HB VAL A 26 15.561 7.597 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.418 8.657 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.423 6.889 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.836 7.929 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.293 9.873 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.620 9.196 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.748 8.990 0.892 1.00 0.00 H new ATOM 362 N ASN A 27 13.896 7.114 -2.132 1.00 0.00 N ATOM 363 CA ASN A 27 13.936 7.185 -3.588 1.00 0.00 C ATOM 364 C ASN A 27 14.041 5.790 -4.197 1.00 0.00 C ATOM 365 O ASN A 27 14.566 5.621 -5.297 1.00 0.00 O ATOM 366 CB ASN A 27 15.117 8.043 -4.045 1.00 0.00 C ATOM 367 CG ASN A 27 15.238 9.330 -3.253 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.104 9.858 -2.806 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 16.337 9.844 -3.045 1.00 0.00 N flip ATOM 0 H ASN A 27 13.061 7.523 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 27 13.008 7.643 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.039 7.470 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.002 8.280 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.183 9.404 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.402 10.710 -2.510 1.00 0.00 H new ATOM 376 N GLN A 28 13.537 4.795 -3.474 1.00 0.00 N ATOM 377 CA GLN A 28 13.574 3.415 -3.944 1.00 0.00 C ATOM 378 C GLN A 28 12.231 3.008 -4.542 1.00 0.00 C ATOM 379 O GLN A 28 11.166 3.349 -4.028 1.00 0.00 O ATOM 380 CB GLN A 28 13.941 2.473 -2.796 1.00 0.00 C ATOM 381 CG GLN A 28 14.689 1.228 -3.246 1.00 0.00 C ATOM 382 CD GLN A 28 15.258 0.438 -2.084 1.00 0.00 C ATOM 383 OE1 GLN A 28 14.516 -0.117 -1.273 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.582 0.382 -1.998 1.00 0.00 N ATOM 0 H GLN A 28 13.099 4.919 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 28 14.334 3.342 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.554 3.014 -2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.030 2.172 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.015 0.591 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.499 1.517 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.159 0.857 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.022 -0.136 -1.238 1.00 0.00 H new ATOM 393 N PRO A 29 12.281 2.260 -5.655 1.00 0.00 N ATOM 394 CA PRO A 29 11.078 1.790 -6.347 1.00 0.00 C ATOM 395 C PRO A 29 10.328 0.728 -5.550 1.00 0.00 C ATOM 396 O PRO A 29 10.558 -0.468 -5.721 1.00 0.00 O ATOM 397 CB PRO A 29 11.626 1.195 -7.646 1.00 0.00 C ATOM 398 CG PRO A 29 13.027 0.807 -7.324 1.00 0.00 C ATOM 399 CD PRO A 29 13.516 1.816 -6.322 1.00 0.00 C ATOM 0 HA PRO A 29 10.356 2.593 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.040 0.333 -7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.593 1.921 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.068 -0.202 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.649 0.813 -8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.218 1.373 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.032 2.645 -6.806 1.00 0.00 H new ATOM 407 N ALA A 30 9.429 1.174 -4.678 1.00 0.00 N ATOM 408 CA ALA A 30 8.644 0.262 -3.856 1.00 0.00 C ATOM 409 C ALA A 30 7.306 -0.058 -4.516 1.00 0.00 C ATOM 410 O ALA A 30 6.592 0.841 -4.960 1.00 0.00 O ATOM 411 CB ALA A 30 8.423 0.855 -2.472 1.00 0.00 C ATOM 0 H ALA A 30 9.227 2.162 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 30 9.202 -0.669 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.835 0.163 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.386 1.027 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.889 1.801 -2.562 1.00 0.00 H new ATOM 417 N SER A 31 6.974 -1.343 -4.576 1.00 0.00 N ATOM 418 CA SER A 31 5.724 -1.782 -5.186 1.00 0.00 C ATOM 419 C SER A 31 5.226 -3.070 -4.537 1.00 0.00 C ATOM 420 O SER A 31 6.017 -3.904 -4.099 1.00 0.00 O ATOM 421 CB SER A 31 5.913 -1.995 -6.689 1.00 0.00 C ATOM 422 OG SER A 31 6.949 -2.926 -6.947 1.00 0.00 O ATOM 0 H SER A 31 7.553 -2.099 -4.210 1.00 0.00 H new ATOM 0 HA SER A 31 4.978 -1.004 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.982 -2.352 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.147 -1.044 -7.167 1.00 0.00 H new ATOM 0 HG SER A 31 7.048 -3.045 -7.915 1.00 0.00 H new ATOM 428 N PHE A 32 3.907 -3.224 -4.480 1.00 0.00 N ATOM 429 CA PHE A 32 3.301 -4.409 -3.884 1.00 0.00 C ATOM 430 C PHE A 32 1.960 -4.723 -4.541 1.00 0.00 C ATOM 431 O PHE A 32 1.469 -3.957 -5.370 1.00 0.00 O ATOM 432 CB PHE A 32 3.110 -4.208 -2.380 1.00 0.00 C ATOM 433 CG PHE A 32 2.745 -2.800 -2.004 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.705 -1.802 -1.992 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.442 -2.476 -1.664 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.372 -0.506 -1.646 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.103 -1.181 -1.318 1.00 0.00 C ATOM 438 CZ PHE A 32 2.069 -0.195 -1.310 1.00 0.00 C ATOM 0 H PHE A 32 3.238 -2.543 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 32 3.972 -5.252 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.330 -4.883 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.029 -4.486 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.725 -2.039 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.682 -3.244 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.130 0.263 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.084 -0.941 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.806 0.818 -1.042 1.00 0.00 H new ATOM 448 N ALA A 33 1.375 -5.855 -4.165 1.00 0.00 N ATOM 449 CA ALA A 33 0.090 -6.271 -4.716 1.00 0.00 C ATOM 450 C ALA A 33 -0.986 -6.300 -3.637 1.00 0.00 C ATOM 451 O ALA A 33 -0.732 -6.707 -2.503 1.00 0.00 O ATOM 452 CB ALA A 33 0.216 -7.636 -5.376 1.00 0.00 C ATOM 0 H ALA A 33 1.770 -6.501 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.208 -5.542 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.750 -7.934 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.949 -7.584 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.540 -8.369 -4.637 1.00 0.00 H new ATOM 458 N VAL A 34 -2.190 -5.865 -3.996 1.00 0.00 N ATOM 459 CA VAL A 34 -3.306 -5.843 -3.058 1.00 0.00 C ATOM 460 C VAL A 34 -4.335 -6.914 -3.401 1.00 0.00 C ATOM 461 O VAL A 34 -5.045 -6.808 -4.401 1.00 0.00 O ATOM 462 CB VAL A 34 -3.998 -4.467 -3.043 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.187 -4.477 -2.094 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.009 -3.377 -2.660 1.00 0.00 C ATOM 0 H VAL A 34 -2.417 -5.523 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.893 -6.045 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.367 -4.255 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.663 -3.496 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.905 -5.230 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.846 -4.712 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.515 -2.412 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.608 -3.582 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.194 -3.355 -3.383 1.00 0.00 H new ATOM 474 N GLN A 35 -4.409 -7.945 -2.566 1.00 0.00 N ATOM 475 CA GLN A 35 -5.351 -9.036 -2.782 1.00 0.00 C ATOM 476 C GLN A 35 -6.777 -8.594 -2.468 1.00 0.00 C ATOM 477 O GLN A 35 -7.006 -7.809 -1.547 1.00 0.00 O ATOM 478 CB GLN A 35 -4.976 -10.241 -1.917 1.00 0.00 C ATOM 479 CG GLN A 35 -5.826 -11.472 -2.187 1.00 0.00 C ATOM 480 CD GLN A 35 -5.134 -12.759 -1.783 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.660 -12.894 -0.655 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.073 -13.713 -2.705 1.00 0.00 N ATOM 0 H GLN A 35 -3.828 -8.048 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.302 -9.322 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.928 -10.489 -2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.071 -9.967 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.768 -11.385 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.072 -11.514 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.480 -13.558 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.620 -14.601 -2.491 1.00 0.00 H new ATOM 491 N LEU A 36 -7.732 -9.103 -3.239 1.00 0.00 N ATOM 492 CA LEU A 36 -9.136 -8.760 -3.043 1.00 0.00 C ATOM 493 C LEU A 36 -9.859 -9.851 -2.259 1.00 0.00 C ATOM 494 O LEU A 36 -10.833 -9.583 -1.557 1.00 0.00 O ATOM 495 CB LEU A 36 -9.823 -8.548 -4.394 1.00 0.00 C ATOM 496 CG LEU A 36 -8.985 -7.856 -5.471 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.526 -8.178 -6.855 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.960 -6.352 -5.242 1.00 0.00 C ATOM 0 H LEU A 36 -7.560 -9.754 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.181 -7.834 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.138 -9.519 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.727 -7.961 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.963 -8.230 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.918 -7.678 -7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.492 -9.255 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.557 -7.832 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.360 -5.876 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.977 -5.961 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.526 -6.140 -4.265 1.00 0.00 H new ATOM 510 N ASN A 37 -9.373 -11.082 -2.383 1.00 0.00 N ATOM 511 CA ASN A 37 -9.971 -12.214 -1.684 1.00 0.00 C ATOM 512 C ASN A 37 -11.462 -12.317 -1.993 1.00 0.00 C ATOM 513 O ASN A 37 -12.253 -12.741 -1.152 1.00 0.00 O ATOM 514 CB ASN A 37 -9.761 -12.077 -0.175 1.00 0.00 C ATOM 515 CG ASN A 37 -8.314 -12.289 0.228 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.740 -13.351 -0.011 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.717 -11.275 0.844 1.00 0.00 N ATOM 0 H ASN A 37 -8.567 -11.321 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.481 -13.124 -2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.083 -11.086 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.390 -12.800 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.744 -11.359 1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.231 -10.412 1.022 1.00 0.00 H new ATOM 524 N GLY A 38 -11.837 -11.928 -3.208 1.00 0.00 N ATOM 525 CA GLY A 38 -13.231 -11.985 -3.608 1.00 0.00 C ATOM 526 C GLY A 38 -13.928 -10.645 -3.477 1.00 0.00 C ATOM 527 O GLY A 38 -15.070 -10.573 -3.024 1.00 0.00 O ATOM 0 H GLY A 38 -11.200 -11.574 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.295 -12.325 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.751 -12.723 -2.997 1.00 0.00 H new ATOM 531 N ALA A 39 -13.238 -9.581 -3.873 1.00 0.00 N ATOM 532 CA ALA A 39 -13.797 -8.237 -3.797 1.00 0.00 C ATOM 533 C ALA A 39 -13.566 -7.472 -5.096 1.00 0.00 C ATOM 534 O ALA A 39 -12.453 -7.443 -5.621 1.00 0.00 O ATOM 535 CB ALA A 39 -13.195 -7.480 -2.623 1.00 0.00 C ATOM 0 H ALA A 39 -12.291 -9.623 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.873 -8.326 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.622 -6.478 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.416 -8.010 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.115 -7.409 -2.751 1.00 0.00 H new ATOM 541 N ARG A 40 -14.625 -6.856 -5.611 1.00 0.00 N ATOM 542 CA ARG A 40 -14.537 -6.093 -6.850 1.00 0.00 C ATOM 543 C ARG A 40 -14.624 -4.594 -6.574 1.00 0.00 C ATOM 544 O ARG A 40 -15.279 -4.165 -5.625 1.00 0.00 O ATOM 545 CB ARG A 40 -15.652 -6.510 -7.811 1.00 0.00 C ATOM 546 CG ARG A 40 -15.261 -7.648 -8.740 1.00 0.00 C ATOM 547 CD ARG A 40 -14.815 -8.875 -7.960 1.00 0.00 C ATOM 548 NE ARG A 40 -15.941 -9.727 -7.589 1.00 0.00 N ATOM 549 CZ ARG A 40 -16.667 -10.409 -8.468 1.00 0.00 C ATOM 550 NH1 ARG A 40 -16.386 -10.339 -9.762 1.00 0.00 N ATOM 551 NH2 ARG A 40 -17.677 -11.164 -8.053 1.00 0.00 N ATOM 0 H ARG A 40 -15.554 -6.870 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.572 -6.305 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.526 -6.809 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.945 -5.648 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.108 -7.907 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.456 -7.322 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.109 -9.449 -8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.287 -8.560 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.183 -9.803 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.611 -9.760 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.945 -10.864 -10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.896 -11.221 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.234 -11.687 -8.729 1.00 0.00 H new ATOM 565 N GLY A 41 -13.957 -3.804 -7.409 1.00 0.00 N ATOM 566 CA GLY A 41 -13.971 -2.363 -7.238 1.00 0.00 C ATOM 567 C GLY A 41 -12.746 -1.696 -7.833 1.00 0.00 C ATOM 568 O GLY A 41 -11.966 -2.333 -8.540 1.00 0.00 O ATOM 0 H GLY A 41 -13.407 -4.136 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.867 -1.954 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.029 -2.127 -6.175 1.00 0.00 H new ATOM 572 N VAL A 42 -12.577 -0.409 -7.547 1.00 0.00 N ATOM 573 CA VAL A 42 -11.440 0.345 -8.059 1.00 0.00 C ATOM 574 C VAL A 42 -10.453 0.675 -6.945 1.00 0.00 C ATOM 575 O VAL A 42 -10.803 1.336 -5.968 1.00 0.00 O ATOM 576 CB VAL A 42 -11.892 1.653 -8.735 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.689 2.445 -9.223 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.847 1.359 -9.881 1.00 0.00 C ATOM 0 H VAL A 42 -13.214 0.133 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.949 -0.286 -8.800 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.421 2.258 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.028 3.366 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.046 2.688 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.130 1.849 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.156 2.295 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.347 0.734 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.724 0.837 -9.499 1.00 0.00 H new ATOM 588 N ILE A 43 -9.217 0.212 -7.100 1.00 0.00 N ATOM 589 CA ILE A 43 -8.179 0.460 -6.108 1.00 0.00 C ATOM 590 C ILE A 43 -7.468 1.782 -6.374 1.00 0.00 C ATOM 591 O ILE A 43 -6.769 1.932 -7.376 1.00 0.00 O ATOM 592 CB ILE A 43 -7.137 -0.675 -6.088 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.790 -1.989 -5.653 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.984 -0.318 -5.162 1.00 0.00 C ATOM 595 CD1 ILE A 43 -7.878 -2.152 -4.152 1.00 0.00 C ATOM 0 H ILE A 43 -8.910 -0.337 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.674 0.506 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.742 -0.804 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.793 -2.044 -6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.223 -2.822 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.256 -1.129 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.506 0.597 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.363 -0.166 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.351 -3.105 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.876 -2.129 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.470 -1.339 -3.732 1.00 0.00 H new ATOM 607 N ASP A 44 -7.652 2.738 -5.470 1.00 0.00 N ATOM 608 CA ASP A 44 -7.026 4.049 -5.605 1.00 0.00 C ATOM 609 C ASP A 44 -5.874 4.205 -4.618 1.00 0.00 C ATOM 610 O ASP A 44 -6.081 4.225 -3.405 1.00 0.00 O ATOM 611 CB ASP A 44 -8.058 5.155 -5.383 1.00 0.00 C ATOM 612 CG ASP A 44 -8.905 5.412 -6.614 1.00 0.00 C ATOM 613 OD1 ASP A 44 -8.367 5.309 -7.736 1.00 0.00 O ATOM 614 OD2 ASP A 44 -10.106 5.718 -6.456 1.00 0.00 O ATOM 0 H ASP A 44 -8.229 2.630 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.628 4.132 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.706 4.881 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.546 6.074 -5.100 1.00 0.00 H new ATOM 619 N ALA A 45 -4.659 4.315 -5.146 1.00 0.00 N ATOM 620 CA ALA A 45 -3.475 4.470 -4.311 1.00 0.00 C ATOM 621 C ALA A 45 -2.910 5.883 -4.417 1.00 0.00 C ATOM 622 O ALA A 45 -2.761 6.421 -5.513 1.00 0.00 O ATOM 623 CB ALA A 45 -2.417 3.447 -4.700 1.00 0.00 C ATOM 0 H ALA A 45 -4.469 4.300 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.767 4.299 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.538 3.574 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.817 2.442 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.138 3.591 -5.744 1.00 0.00 H new ATOM 629 N ARG A 46 -2.599 6.478 -3.270 1.00 0.00 N ATOM 630 CA ARG A 46 -2.053 7.829 -3.234 1.00 0.00 C ATOM 631 C ARG A 46 -1.162 8.023 -2.010 1.00 0.00 C ATOM 632 O ARG A 46 -1.611 7.877 -0.873 1.00 0.00 O ATOM 633 CB ARG A 46 -3.184 8.859 -3.222 1.00 0.00 C ATOM 634 CG ARG A 46 -3.814 9.086 -4.587 1.00 0.00 C ATOM 635 CD ARG A 46 -4.412 10.480 -4.699 1.00 0.00 C ATOM 636 NE ARG A 46 -5.523 10.525 -5.645 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.288 11.595 -5.831 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.063 12.703 -5.138 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.281 11.558 -6.710 1.00 0.00 N ATOM 0 H ARG A 46 -2.716 6.046 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.448 7.973 -4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.955 8.531 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.797 9.807 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.062 8.948 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.591 8.341 -4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.758 10.806 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.639 11.182 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.723 9.689 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.301 12.735 -4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.652 13.523 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.458 10.707 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.868 12.380 -6.852 1.00 0.00 H new ATOM 653 N VAL A 47 0.103 8.352 -2.252 1.00 0.00 N ATOM 654 CA VAL A 47 1.057 8.566 -1.170 1.00 0.00 C ATOM 655 C VAL A 47 1.163 10.045 -0.816 1.00 0.00 C ATOM 656 O VAL A 47 1.181 10.906 -1.696 1.00 0.00 O ATOM 657 CB VAL A 47 2.455 8.038 -1.542 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.465 6.517 -1.555 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.894 8.593 -2.888 1.00 0.00 C ATOM 0 H VAL A 47 0.491 8.476 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 47 0.686 8.014 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 47 3.164 8.376 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.461 6.162 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.197 6.143 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.744 6.155 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.884 8.209 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.184 8.287 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.929 9.681 -2.839 1.00 0.00 H new ATOM 669 N HIS A 48 1.233 10.334 0.480 1.00 0.00 N ATOM 670 CA HIS A 48 1.338 11.710 0.952 1.00 0.00 C ATOM 671 C HIS A 48 2.717 11.976 1.549 1.00 0.00 C ATOM 672 O HIS A 48 3.138 11.303 2.490 1.00 0.00 O ATOM 673 CB HIS A 48 0.255 12.000 1.991 1.00 0.00 C ATOM 674 CG HIS A 48 -1.133 11.997 1.427 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.871 13.146 1.240 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.915 10.976 1.006 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.049 12.832 0.731 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.101 11.521 0.579 1.00 0.00 N ATOM 0 H HIS A 48 1.219 9.634 1.222 1.00 0.00 H new ATOM 0 HA HIS A 48 1.197 12.372 0.098 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.317 11.256 2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.451 12.971 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.655 9.928 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.836 13.529 0.482 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.893 10.998 0.205 1.00 0.00 H new ATOM 687 N THR A 49 3.416 12.962 0.995 1.00 0.00 N ATOM 688 CA THR A 49 4.748 13.315 1.471 1.00 0.00 C ATOM 689 C THR A 49 4.677 14.063 2.797 1.00 0.00 C ATOM 690 O THR A 49 3.727 14.796 3.074 1.00 0.00 O ATOM 691 CB THR A 49 5.499 14.183 0.444 1.00 0.00 C ATOM 692 OG1 THR A 49 4.686 15.295 0.054 1.00 0.00 O ATOM 693 CG2 THR A 49 5.874 13.367 -0.783 1.00 0.00 C ATOM 0 H THR A 49 3.082 13.530 0.216 1.00 0.00 H new ATOM 0 HA THR A 49 5.292 12.381 1.613 1.00 0.00 H new ATOM 0 HB THR A 49 6.414 14.549 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.215 15.080 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.403 14.001 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.518 12.539 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.970 12.975 -1.249 1.00 0.00 H new ATOM 701 N PRO A 50 5.705 13.877 3.638 1.00 0.00 N ATOM 702 CA PRO A 50 5.783 14.527 4.950 1.00 0.00 C ATOM 703 C PRO A 50 6.018 16.030 4.839 1.00 0.00 C ATOM 704 O PRO A 50 5.968 16.751 5.835 1.00 0.00 O ATOM 705 CB PRO A 50 6.982 13.846 5.613 1.00 0.00 C ATOM 706 CG PRO A 50 7.825 13.375 4.479 1.00 0.00 C ATOM 707 CD PRO A 50 6.871 13.017 3.374 1.00 0.00 C ATOM 0 HA PRO A 50 4.854 14.425 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.529 14.540 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.666 13.015 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.518 14.153 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.425 12.513 4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.301 13.214 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.605 11.960 3.399 1.00 0.00 H new ATOM 715 N SER A 51 6.276 16.495 3.621 1.00 0.00 N ATOM 716 CA SER A 51 6.523 17.912 3.380 1.00 0.00 C ATOM 717 C SER A 51 5.210 18.670 3.206 1.00 0.00 C ATOM 718 O SER A 51 5.015 19.737 3.787 1.00 0.00 O ATOM 719 CB SER A 51 7.399 18.095 2.139 1.00 0.00 C ATOM 720 OG SER A 51 8.697 17.568 2.350 1.00 0.00 O ATOM 0 H SER A 51 6.319 15.911 2.786 1.00 0.00 H new ATOM 0 HA SER A 51 7.045 18.317 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.936 17.599 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.469 19.154 1.892 1.00 0.00 H new ATOM 0 HG SER A 51 9.237 17.695 1.542 1.00 0.00 H new ATOM 726 N GLY A 52 4.313 18.110 2.400 1.00 0.00 N ATOM 727 CA GLY A 52 3.030 18.746 2.163 1.00 0.00 C ATOM 728 C GLY A 52 2.641 18.738 0.698 1.00 0.00 C ATOM 729 O GLY A 52 1.948 19.640 0.228 1.00 0.00 O ATOM 0 H GLY A 52 4.452 17.228 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.262 18.234 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.066 19.775 2.520 1.00 0.00 H new ATOM 733 N ALA A 53 3.089 17.718 -0.026 1.00 0.00 N ATOM 734 CA ALA A 53 2.784 17.596 -1.446 1.00 0.00 C ATOM 735 C ALA A 53 2.140 16.249 -1.755 1.00 0.00 C ATOM 736 O ALA A 53 2.683 15.197 -1.416 1.00 0.00 O ATOM 737 CB ALA A 53 4.046 17.783 -2.275 1.00 0.00 C ATOM 0 H ALA A 53 3.665 16.964 0.348 1.00 0.00 H new ATOM 0 HA ALA A 53 2.072 18.378 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.803 17.689 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.463 18.772 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.777 17.022 -2.002 1.00 0.00 H new ATOM 743 N VAL A 54 0.978 16.288 -2.400 1.00 0.00 N ATOM 744 CA VAL A 54 0.260 15.070 -2.756 1.00 0.00 C ATOM 745 C VAL A 54 0.874 14.408 -3.984 1.00 0.00 C ATOM 746 O VAL A 54 0.856 14.972 -5.078 1.00 0.00 O ATOM 747 CB VAL A 54 -1.229 15.355 -3.029 1.00 0.00 C ATOM 748 CG1 VAL A 54 -1.964 14.070 -3.379 1.00 0.00 C ATOM 749 CG2 VAL A 54 -1.870 16.036 -1.830 1.00 0.00 C ATOM 0 H VAL A 54 0.514 17.150 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 54 0.342 14.394 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.301 16.030 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.014 14.292 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.520 13.628 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.885 13.368 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.922 16.230 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.788 15.388 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.360 16.979 -1.631 1.00 0.00 H new ATOM 759 N GLU A 55 1.415 13.209 -3.796 1.00 0.00 N ATOM 760 CA GLU A 55 2.035 12.471 -4.890 1.00 0.00 C ATOM 761 C GLU A 55 1.078 11.424 -5.451 1.00 0.00 C ATOM 762 O GLU A 55 0.155 10.982 -4.767 1.00 0.00 O ATOM 763 CB GLU A 55 3.324 11.797 -4.415 1.00 0.00 C ATOM 764 CG GLU A 55 4.559 12.669 -4.569 1.00 0.00 C ATOM 765 CD GLU A 55 5.812 12.006 -4.029 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.685 11.119 -3.159 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.918 12.374 -4.476 1.00 0.00 O ATOM 0 H GLU A 55 1.437 12.728 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 55 2.275 13.180 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.214 11.519 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.469 10.874 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.703 12.906 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.399 13.614 -4.049 1.00 0.00 H new ATOM 774 N GLU A 56 1.305 11.032 -6.701 1.00 0.00 N ATOM 775 CA GLU A 56 0.462 10.038 -7.355 1.00 0.00 C ATOM 776 C GLU A 56 1.196 8.708 -7.494 1.00 0.00 C ATOM 777 O GLU A 56 2.409 8.676 -7.707 1.00 0.00 O ATOM 778 CB GLU A 56 0.022 10.536 -8.733 1.00 0.00 C ATOM 779 CG GLU A 56 -0.936 11.714 -8.677 1.00 0.00 C ATOM 780 CD GLU A 56 -0.221 13.040 -8.506 1.00 0.00 C ATOM 781 OE1 GLU A 56 0.169 13.362 -7.364 1.00 0.00 O ATOM 782 OE2 GLU A 56 -0.052 13.757 -9.515 1.00 0.00 O ATOM 0 H GLU A 56 2.065 11.388 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.420 9.883 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.904 10.823 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.454 9.716 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.528 11.740 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.633 11.572 -7.851 1.00 0.00 H new ATOM 789 N CYS A 57 0.454 7.613 -7.371 1.00 0.00 N ATOM 790 CA CYS A 57 1.034 6.279 -7.481 1.00 0.00 C ATOM 791 C CYS A 57 0.717 5.659 -8.838 1.00 0.00 C ATOM 792 O CYS A 57 0.124 6.303 -9.703 1.00 0.00 O ATOM 793 CB CYS A 57 0.512 5.379 -6.360 1.00 0.00 C ATOM 794 SG CYS A 57 0.688 6.084 -4.705 1.00 0.00 S ATOM 0 H CYS A 57 -0.551 7.623 -7.195 1.00 0.00 H new ATOM 0 HA CYS A 57 2.116 6.371 -7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.541 5.164 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.042 4.427 -6.396 1.00 0.00 H new ATOM 0 HG CYS A 57 1.565 5.399 -4.032 1.00 0.00 H new ATOM 800 N TYR A 58 1.119 4.406 -9.017 1.00 0.00 N ATOM 801 CA TYR A 58 0.881 3.699 -10.270 1.00 0.00 C ATOM 802 C TYR A 58 0.058 2.436 -10.036 1.00 0.00 C ATOM 803 O TYR A 58 0.587 1.402 -9.630 1.00 0.00 O ATOM 804 CB TYR A 58 2.210 3.339 -10.937 1.00 0.00 C ATOM 805 CG TYR A 58 2.061 2.412 -12.122 1.00 0.00 C ATOM 806 CD1 TYR A 58 0.979 2.525 -12.986 1.00 0.00 C ATOM 807 CD2 TYR A 58 3.003 1.423 -12.378 1.00 0.00 C ATOM 808 CE1 TYR A 58 0.839 1.679 -14.070 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.872 0.574 -13.460 1.00 0.00 C ATOM 810 CZ TYR A 58 1.788 0.706 -14.303 1.00 0.00 C ATOM 811 OH TYR A 58 1.653 -0.137 -15.382 1.00 0.00 O ATOM 0 H TYR A 58 1.611 3.859 -8.311 1.00 0.00 H new ATOM 0 HA TYR A 58 0.318 4.360 -10.929 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.703 4.255 -11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.862 2.871 -10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.235 3.287 -12.808 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.852 1.316 -11.720 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.009 1.779 -14.731 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.614 -0.189 -13.645 1.00 0.00 H new ATOM 0 HH TYR A 58 2.406 -0.764 -15.404 1.00 0.00 H new ATOM 821 N VAL A 59 -1.243 2.529 -10.297 1.00 0.00 N ATOM 822 CA VAL A 59 -2.141 1.394 -10.116 1.00 0.00 C ATOM 823 C VAL A 59 -2.991 1.163 -11.361 1.00 0.00 C ATOM 824 O VAL A 59 -3.843 1.983 -11.704 1.00 0.00 O ATOM 825 CB VAL A 59 -3.070 1.601 -8.905 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.708 2.980 -8.951 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.132 0.513 -8.858 1.00 0.00 C ATOM 0 H VAL A 59 -1.698 3.378 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.515 0.519 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.474 1.534 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.361 3.108 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.929 3.742 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.292 3.080 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.780 0.674 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.727 0.546 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.651 -0.461 -8.773 1.00 0.00 H new ATOM 917 N LYS A 66 -6.345 -8.631 -8.687 1.00 0.00 N ATOM 918 CA LYS A 66 -5.274 -8.010 -7.918 1.00 0.00 C ATOM 919 C LYS A 66 -4.884 -6.663 -8.518 1.00 0.00 C ATOM 920 O LYS A 66 -5.294 -6.325 -9.629 1.00 0.00 O ATOM 921 CB LYS A 66 -4.053 -8.931 -7.869 1.00 0.00 C ATOM 922 CG LYS A 66 -4.181 -10.059 -6.860 1.00 0.00 C ATOM 923 CD LYS A 66 -2.821 -10.596 -6.448 1.00 0.00 C ATOM 924 CE LYS A 66 -2.233 -11.504 -7.517 1.00 0.00 C ATOM 925 NZ LYS A 66 -0.994 -12.185 -7.048 1.00 0.00 N ATOM 0 HA LYS A 66 -5.638 -7.845 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.890 -9.357 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.171 -8.338 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.714 -9.701 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.777 -10.865 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.142 -9.764 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.915 -11.147 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.972 -12.252 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.010 -10.918 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.625 -12.794 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.279 -11.472 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.212 -12.765 -6.213 1.00 0.00 H new ATOM 939 N HIS A 67 -4.090 -5.897 -7.776 1.00 0.00 N ATOM 940 CA HIS A 67 -3.643 -4.587 -8.236 1.00 0.00 C ATOM 941 C HIS A 67 -2.202 -4.324 -7.811 1.00 0.00 C ATOM 942 O HIS A 67 -1.844 -4.506 -6.646 1.00 0.00 O ATOM 943 CB HIS A 67 -4.558 -3.491 -7.688 1.00 0.00 C ATOM 944 CG HIS A 67 -5.972 -3.594 -8.170 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.946 -4.487 -7.873 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.527 -2.709 -9.070 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.060 -4.128 -8.591 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.781 -3.051 -9.304 1.00 0.00 N flip ATOM 0 H HIS A 67 -3.743 -6.161 -6.854 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.689 -4.577 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.550 -3.534 -6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.156 -2.518 -7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.016 -1.868 -9.514 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.010 -4.642 -8.576 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.425 -2.566 -9.929 1.00 0.00 H new ATOM 957 N THR A 68 -1.378 -3.895 -8.761 1.00 0.00 N ATOM 958 CA THR A 68 0.024 -3.608 -8.486 1.00 0.00 C ATOM 959 C THR A 68 0.257 -2.111 -8.318 1.00 0.00 C ATOM 960 O THR A 68 -0.104 -1.317 -9.187 1.00 0.00 O ATOM 961 CB THR A 68 0.937 -4.136 -9.609 1.00 0.00 C ATOM 962 OG1 THR A 68 0.683 -5.528 -9.833 1.00 0.00 O ATOM 963 CG2 THR A 68 2.402 -3.933 -9.255 1.00 0.00 C ATOM 0 H THR A 68 -1.658 -3.738 -9.729 1.00 0.00 H new ATOM 0 HA THR A 68 0.274 -4.118 -7.555 1.00 0.00 H new ATOM 0 HB THR A 68 0.719 -3.576 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.266 -5.856 -10.549 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.028 -4.313 -10.063 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.598 -2.870 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.632 -4.470 -8.335 1.00 0.00 H new ATOM 971 N ILE A 69 0.862 -1.733 -7.198 1.00 0.00 N ATOM 972 CA ILE A 69 1.145 -0.330 -6.919 1.00 0.00 C ATOM 973 C ILE A 69 2.641 -0.046 -6.992 1.00 0.00 C ATOM 974 O ILE A 69 3.461 -0.879 -6.607 1.00 0.00 O ATOM 975 CB ILE A 69 0.622 0.083 -5.530 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.612 -0.741 -5.159 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.299 1.570 -5.508 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.813 -0.458 -6.033 1.00 0.00 C ATOM 0 H ILE A 69 1.166 -2.378 -6.469 1.00 0.00 H new ATOM 0 HA ILE A 69 0.630 0.254 -7.681 1.00 0.00 H new ATOM 0 HB ILE A 69 1.400 -0.112 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.365 -1.801 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.874 -0.541 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.069 1.848 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.200 2.141 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.465 1.788 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.650 -1.078 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.086 0.594 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.570 -0.686 -7.071 1.00 0.00 H new ATOM 990 N ARG A 70 2.989 1.137 -7.487 1.00 0.00 N ATOM 991 CA ARG A 70 4.387 1.533 -7.610 1.00 0.00 C ATOM 992 C ARG A 70 4.552 3.030 -7.366 1.00 0.00 C ATOM 993 O ARG A 70 3.932 3.852 -8.041 1.00 0.00 O ATOM 994 CB ARG A 70 4.921 1.169 -8.997 1.00 0.00 C ATOM 995 CG ARG A 70 6.433 1.013 -9.045 1.00 0.00 C ATOM 996 CD ARG A 70 6.861 0.092 -10.177 1.00 0.00 C ATOM 997 NE ARG A 70 6.738 0.734 -11.482 1.00 0.00 N ATOM 998 CZ ARG A 70 7.576 1.664 -11.926 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.594 2.057 -11.174 1.00 0.00 N ATOM 1000 NH2 ARG A 70 7.398 2.202 -13.126 1.00 0.00 N ATOM 0 H ARG A 70 2.322 1.838 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 70 4.959 0.995 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.457 0.238 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.621 1.940 -9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.897 1.991 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.789 0.614 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.895 -0.217 -10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.252 -0.812 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 70 5.966 0.453 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.736 1.645 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.236 2.771 -11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.617 1.901 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.042 2.916 -13.465 1.00 0.00 H new ATOM 1014 N PHE A 71 5.392 3.377 -6.396 1.00 0.00 N ATOM 1015 CA PHE A 71 5.637 4.775 -6.061 1.00 0.00 C ATOM 1016 C PHE A 71 6.982 4.937 -5.360 1.00 0.00 C ATOM 1017 O PHE A 71 7.378 4.098 -4.550 1.00 0.00 O ATOM 1018 CB PHE A 71 4.516 5.312 -5.170 1.00 0.00 C ATOM 1019 CG PHE A 71 4.187 4.413 -4.013 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.061 4.287 -2.945 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.003 3.693 -3.993 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.760 3.461 -1.879 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.697 2.865 -2.929 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.577 2.748 -1.871 1.00 0.00 C ATOM 0 H PHE A 71 5.914 2.709 -5.828 1.00 0.00 H new ATOM 0 HA PHE A 71 5.659 5.347 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.804 6.292 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.620 5.456 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.988 4.841 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.311 3.780 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.449 3.373 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.770 2.310 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.341 2.101 -1.039 1.00 0.00 H new ATOM 1034 N ILE A 72 7.681 6.023 -5.676 1.00 0.00 N ATOM 1035 CA ILE A 72 8.981 6.296 -5.077 1.00 0.00 C ATOM 1036 C ILE A 72 8.934 7.551 -4.212 1.00 0.00 C ATOM 1037 O ILE A 72 8.549 8.631 -4.661 1.00 0.00 O ATOM 1038 CB ILE A 72 10.072 6.466 -6.150 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.331 5.136 -6.861 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.353 6.997 -5.524 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.059 5.286 -8.177 1.00 0.00 C ATOM 0 H ILE A 72 7.368 6.728 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 72 9.228 5.436 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 72 9.725 7.189 -6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.914 4.490 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.379 4.636 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.115 7.112 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.158 7.964 -5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.706 6.296 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.208 4.303 -8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.468 5.906 -8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.027 5.757 -8.006 1.00 0.00 H new ATOM 1053 N PRO A 73 9.337 7.409 -2.940 1.00 0.00 N ATOM 1054 CA PRO A 73 9.353 8.522 -1.986 1.00 0.00 C ATOM 1055 C PRO A 73 10.428 9.552 -2.315 1.00 0.00 C ATOM 1056 O PRO A 73 11.305 9.306 -3.143 1.00 0.00 O ATOM 1057 CB PRO A 73 9.657 7.839 -0.650 1.00 0.00 C ATOM 1058 CG PRO A 73 10.384 6.592 -1.019 1.00 0.00 C ATOM 1059 CD PRO A 73 9.809 6.152 -2.337 1.00 0.00 C ATOM 0 HA PRO A 73 8.416 9.078 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.265 8.477 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.742 7.616 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.455 6.775 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.250 5.823 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.559 5.664 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.995 5.440 -2.203 1.00 0.00 H new ATOM 1067 N HIS A 74 10.354 10.707 -1.660 1.00 0.00 N ATOM 1068 CA HIS A 74 11.323 11.775 -1.883 1.00 0.00 C ATOM 1069 C HIS A 74 12.103 12.075 -0.606 1.00 0.00 C ATOM 1070 O HIS A 74 13.331 12.010 -0.589 1.00 0.00 O ATOM 1071 CB HIS A 74 10.616 13.039 -2.372 1.00 0.00 C ATOM 1072 CG HIS A 74 10.209 12.979 -3.812 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.760 11.825 -4.420 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.184 13.939 -4.766 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.478 12.078 -5.685 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.726 13.354 -5.921 1.00 0.00 N ATOM 0 H HIS A 74 9.634 10.927 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 74 12.025 11.442 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.731 13.210 -1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.276 13.894 -2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.471 14.973 -4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.107 11.363 -6.405 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.598 13.828 -6.815 1.00 0.00 H new ATOM 1085 N GLU A 75 11.380 12.406 0.459 1.00 0.00 N ATOM 1086 CA GLU A 75 12.005 12.718 1.739 1.00 0.00 C ATOM 1087 C GLU A 75 11.750 11.608 2.755 1.00 0.00 C ATOM 1088 O GLU A 75 10.605 11.243 3.017 1.00 0.00 O ATOM 1089 CB GLU A 75 11.477 14.049 2.279 1.00 0.00 C ATOM 1090 CG GLU A 75 11.802 14.283 3.745 1.00 0.00 C ATOM 1091 CD GLU A 75 13.290 14.429 3.996 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.900 15.360 3.429 1.00 0.00 O ATOM 1093 OE2 GLU A 75 13.845 13.613 4.761 1.00 0.00 O ATOM 0 H GLU A 75 10.362 12.465 0.461 1.00 0.00 H new ATOM 0 HA GLU A 75 13.080 12.800 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.896 14.863 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.396 14.082 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.290 15.182 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.417 13.452 4.336 1.00 0.00 H new ATOM 1100 N ASN A 76 12.827 11.074 3.322 1.00 0.00 N ATOM 1101 CA ASN A 76 12.721 10.005 4.308 1.00 0.00 C ATOM 1102 C ASN A 76 11.589 10.282 5.292 1.00 0.00 C ATOM 1103 O ASN A 76 11.211 11.432 5.512 1.00 0.00 O ATOM 1104 CB ASN A 76 14.042 9.847 5.064 1.00 0.00 C ATOM 1105 CG ASN A 76 15.002 8.908 4.360 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.513 7.731 3.988 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 16.171 9.237 4.154 1.00 0.00 N flip ATOM 0 H ASN A 76 13.783 11.364 3.116 1.00 0.00 H new ATOM 0 HA ASN A 76 12.500 9.078 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.512 10.824 5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.841 9.471 6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.504 10.152 4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.806 8.594 3.680 1.00 0.00 H new ATOM 1114 N GLY A 77 11.051 9.219 5.882 1.00 0.00 N ATOM 1115 CA GLY A 77 9.968 9.369 6.836 1.00 0.00 C ATOM 1116 C GLY A 77 8.827 8.405 6.575 1.00 0.00 C ATOM 1117 O GLY A 77 8.914 7.556 5.688 1.00 0.00 O ATOM 0 H GLY A 77 11.346 8.257 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.351 9.209 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.592 10.391 6.796 1.00 0.00 H new ATOM 1121 N VAL A 78 7.756 8.534 7.351 1.00 0.00 N ATOM 1122 CA VAL A 78 6.593 7.667 7.200 1.00 0.00 C ATOM 1123 C VAL A 78 5.560 8.291 6.268 1.00 0.00 C ATOM 1124 O VAL A 78 4.980 9.332 6.576 1.00 0.00 O ATOM 1125 CB VAL A 78 5.932 7.373 8.559 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.698 6.503 8.376 1.00 0.00 C ATOM 1127 CG2 VAL A 78 6.925 6.711 9.502 1.00 0.00 C ATOM 0 H VAL A 78 7.669 9.231 8.091 1.00 0.00 H new ATOM 0 HA VAL A 78 6.949 6.732 6.768 1.00 0.00 H new ATOM 0 HB VAL A 78 5.618 8.318 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.244 6.306 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.980 7.019 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.984 5.560 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.441 6.510 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.271 5.774 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.776 7.374 9.658 1.00 0.00 H new ATOM 1137 N HIS A 79 5.334 7.646 5.128 1.00 0.00 N ATOM 1138 CA HIS A 79 4.369 8.137 4.151 1.00 0.00 C ATOM 1139 C HIS A 79 2.981 7.563 4.422 1.00 0.00 C ATOM 1140 O HIS A 79 2.844 6.528 5.073 1.00 0.00 O ATOM 1141 CB HIS A 79 4.816 7.774 2.734 1.00 0.00 C ATOM 1142 CG HIS A 79 6.003 8.555 2.262 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.141 8.726 3.022 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.226 9.211 1.099 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.013 9.455 2.347 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.482 9.762 1.177 1.00 0.00 N ATOM 0 H HIS A 79 5.806 6.783 4.858 1.00 0.00 H new ATOM 0 HA HIS A 79 4.318 9.222 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.053 6.711 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.986 7.939 2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.544 9.287 0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.993 9.749 2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.932 10.318 0.450 1.00 0.00 H new ATOM 1155 N SER A 80 1.956 8.244 3.919 1.00 0.00 N ATOM 1156 CA SER A 80 0.579 7.804 4.111 1.00 0.00 C ATOM 1157 C SER A 80 -0.005 7.262 2.810 1.00 0.00 C ATOM 1158 O SER A 80 -0.225 8.010 1.857 1.00 0.00 O ATOM 1159 CB SER A 80 -0.280 8.960 4.627 1.00 0.00 C ATOM 1160 OG SER A 80 -0.277 9.005 6.043 1.00 0.00 O ATOM 0 H SER A 80 2.053 9.102 3.376 1.00 0.00 H new ATOM 0 HA SER A 80 0.579 7.003 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.096 9.903 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.302 8.847 4.266 1.00 0.00 H new ATOM 0 HG SER A 80 -0.832 9.753 6.348 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.253 5.957 2.778 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.812 5.315 1.595 1.00 0.00 C ATOM 1168 C ILE A 81 -2.336 5.277 1.659 1.00 0.00 C ATOM 1169 O ILE A 81 -2.917 4.482 2.398 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.281 3.879 1.430 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.202 3.815 1.804 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.494 3.397 0.003 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.110 4.475 0.790 1.00 0.00 C ATOM 0 H ILE A 81 -0.076 5.324 3.558 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.501 5.910 0.736 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.835 3.222 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.345 4.293 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.495 2.771 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.114 2.381 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.559 3.411 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.037 4.054 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.145 4.392 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.996 3.982 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.844 5.528 0.694 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.976 6.139 0.877 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.433 6.203 0.842 1.00 0.00 C ATOM 1187 C ASP A 82 -4.999 5.155 -0.111 1.00 0.00 C ATOM 1188 O ASP A 82 -4.869 5.273 -1.329 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.894 7.598 0.418 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.980 8.560 1.586 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -4.113 8.484 2.482 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.915 9.388 1.606 1.00 0.00 O ATOM 0 H ASP A 82 -2.510 6.803 0.259 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.806 5.996 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.203 7.995 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.870 7.525 -0.061 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.629 4.128 0.453 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.215 3.059 -0.346 1.00 0.00 C ATOM 1199 C VAL A 83 -7.737 3.082 -0.263 1.00 0.00 C ATOM 1200 O VAL A 83 -8.309 3.182 0.823 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.708 1.677 0.107 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.127 0.603 -0.886 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.197 1.695 0.279 1.00 0.00 C ATOM 0 H VAL A 83 -5.746 4.015 1.460 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.908 3.230 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.158 1.442 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.760 -0.367 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.214 0.575 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.707 0.830 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.856 0.711 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.726 1.951 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.925 2.436 1.031 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.389 2.990 -1.417 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.846 2.998 -1.476 1.00 0.00 C ATOM 1215 C LYS A 84 -10.359 1.908 -2.412 1.00 0.00 C ATOM 1216 O LYS A 84 -9.686 1.535 -3.374 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.350 4.365 -1.944 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.068 5.487 -0.959 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.430 6.843 -1.540 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.822 7.830 -0.450 1.00 0.00 C ATOM 1221 NZ LYS A 84 -12.259 7.706 -0.080 1.00 0.00 N ATOM 0 H LYS A 84 -7.931 2.909 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.226 2.800 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.885 4.607 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.424 4.307 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.635 5.319 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.013 5.477 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.583 7.237 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.255 6.730 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.204 7.661 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.621 8.846 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.486 8.395 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.850 7.892 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.446 6.744 0.269 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.553 1.402 -2.125 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.156 0.355 -2.942 1.00 0.00 C ATOM 1237 C PHE A 85 -13.621 0.669 -3.235 1.00 0.00 C ATOM 1238 O PHE A 85 -14.508 0.321 -2.457 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.044 -0.999 -2.238 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.140 -2.170 -3.173 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.200 -2.354 -4.174 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.171 -3.088 -3.050 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.286 -3.431 -5.035 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.262 -4.167 -3.909 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.318 -4.339 -4.903 1.00 0.00 C ATOM 0 H PHE A 85 -12.123 1.700 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.616 0.311 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.094 -1.046 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.832 -1.077 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.391 -1.647 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.911 -2.959 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.546 -3.563 -5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.071 -4.875 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.387 -5.182 -5.575 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.864 1.330 -4.362 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.220 1.693 -4.758 1.00 0.00 C ATOM 1257 C ASN A 86 -15.763 2.814 -3.876 1.00 0.00 C ATOM 1258 O ASN A 86 -16.928 2.799 -3.482 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.141 0.474 -4.676 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.270 0.534 -5.686 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -17.260 -0.389 -6.641 1.00 0.00 O flip ATOM 1262 ND2 ASN A 86 -18.142 1.400 -5.608 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.140 1.625 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.188 2.048 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.557 -0.431 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.559 0.405 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.110 2.090 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -18.896 1.428 -6.294 1.00 0.00 H new ATOM 1269 N GLY A 87 -14.908 3.786 -3.571 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.320 4.901 -2.738 1.00 0.00 C ATOM 1271 C GLY A 87 -15.500 4.505 -1.286 1.00 0.00 C ATOM 1272 O GLY A 87 -16.485 4.880 -0.651 1.00 0.00 O ATOM 0 H GLY A 87 -13.938 3.821 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.576 5.695 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.256 5.308 -3.119 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.546 3.744 -0.759 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.603 3.298 0.627 1.00 0.00 C ATOM 1278 C ALA A 88 -13.204 3.088 1.195 1.00 0.00 C ATOM 1279 O ALA A 88 -12.336 2.512 0.537 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.416 2.016 0.736 1.00 0.00 C ATOM 0 H ALA A 88 -13.724 3.424 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.091 4.077 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.450 1.694 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.430 2.197 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.951 1.238 0.131 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.990 3.560 2.419 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.694 3.424 3.075 1.00 0.00 C ATOM 1288 C HIS A 89 -11.513 2.016 3.633 1.00 0.00 C ATOM 1289 O HIS A 89 -12.345 1.530 4.400 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.557 4.452 4.199 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.956 5.749 3.754 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.597 5.948 3.637 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.538 6.917 3.394 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.368 7.183 3.227 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.530 7.792 3.071 1.00 0.00 N ATOM 0 H HIS A 89 -13.697 4.040 2.976 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.917 3.604 2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.541 4.645 4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.942 4.030 4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.598 7.123 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.396 7.620 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.658 8.755 2.761 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.422 1.366 3.243 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.132 0.014 3.705 1.00 0.00 C ATOM 1306 C ILE A 90 -9.649 0.019 5.151 1.00 0.00 C ATOM 1307 O ILE A 90 -9.051 0.983 5.629 1.00 0.00 O ATOM 1308 CB ILE A 90 -9.070 -0.667 2.822 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.710 0.010 3.008 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.491 -0.629 1.361 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.537 -0.896 2.707 1.00 0.00 C ATOM 0 H ILE A 90 -9.724 1.754 2.608 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.063 -0.549 3.638 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.981 -1.710 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.658 0.885 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.629 0.367 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.730 -1.114 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.440 -1.152 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.606 0.407 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.606 -0.349 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.564 -1.759 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.594 -1.233 1.672 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.911 -1.085 5.866 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.509 -1.234 7.268 1.00 0.00 C ATOM 1325 C PRO A 91 -7.999 -1.372 7.427 1.00 0.00 C ATOM 1326 O PRO A 91 -7.426 -2.419 7.129 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.212 -2.522 7.704 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.403 -3.294 6.444 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.620 -2.273 5.362 1.00 0.00 C ATOM 0 HA PRO A 91 -9.779 -0.362 7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.609 -3.078 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.166 -2.309 8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.531 -3.912 6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.258 -3.966 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.215 -2.607 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.680 -2.072 5.206 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.358 -0.307 7.899 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.920 -0.330 8.089 1.00 0.00 C ATOM 1339 C GLY A 92 -5.226 0.836 7.413 1.00 0.00 C ATOM 1340 O GLY A 92 -4.088 1.167 7.745 1.00 0.00 O ATOM 0 H GLY A 92 -7.810 0.572 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.697 -0.312 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.520 -1.264 7.696 1.00 0.00 H new ATOM 1344 N SER A 93 -5.913 1.460 6.461 1.00 0.00 N ATOM 1345 CA SER A 93 -5.354 2.592 5.733 1.00 0.00 C ATOM 1346 C SER A 93 -5.661 3.904 6.449 1.00 0.00 C ATOM 1347 O SER A 93 -6.648 4.028 7.175 1.00 0.00 O ATOM 1348 CB SER A 93 -5.910 2.634 4.308 1.00 0.00 C ATOM 1349 OG SER A 93 -6.007 3.967 3.837 1.00 0.00 O ATOM 0 H SER A 93 -6.857 1.200 6.176 1.00 0.00 H new ATOM 0 HA SER A 93 -4.272 2.466 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.265 2.057 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.893 2.164 4.284 1.00 0.00 H new ATOM 0 HG SER A 93 -6.748 4.036 3.199 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.796 4.908 6.240 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.619 4.771 5.378 1.00 0.00 C ATOM 1357 C PRO A 94 -2.560 3.855 5.983 1.00 0.00 C ATOM 1358 O PRO A 94 -2.349 3.850 7.196 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.089 6.204 5.273 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.572 6.878 6.510 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.901 6.253 6.830 1.00 0.00 C ATOM 0 HA PRO A 94 -3.868 4.321 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.001 6.220 5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.465 6.701 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.868 6.739 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.673 7.952 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.075 6.208 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.726 6.819 6.397 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.898 3.080 5.130 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.862 2.159 5.581 1.00 0.00 C ATOM 1371 C PHE A 95 0.439 2.902 5.870 1.00 0.00 C ATOM 1372 O PHE A 95 1.153 3.307 4.952 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.620 1.075 4.529 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.722 0.057 4.453 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.973 -0.793 5.518 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.507 -0.051 3.316 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.987 -1.730 5.452 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.522 -0.986 3.244 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.762 -1.827 4.312 1.00 0.00 C ATOM 0 H PHE A 95 -2.061 3.072 4.123 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.205 1.690 6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.504 1.546 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.318 0.567 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.369 -0.723 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.323 0.603 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.173 -2.385 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -4.127 -1.059 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.554 -2.559 4.257 1.00 0.00 H new ATOM 1389 N LYS A 96 0.741 3.079 7.152 1.00 0.00 N ATOM 1390 CA LYS A 96 1.955 3.772 7.564 1.00 0.00 C ATOM 1391 C LYS A 96 3.192 2.937 7.251 1.00 0.00 C ATOM 1392 O LYS A 96 3.467 1.942 7.922 1.00 0.00 O ATOM 1393 CB LYS A 96 1.905 4.087 9.060 1.00 0.00 C ATOM 1394 CG LYS A 96 0.741 4.980 9.455 1.00 0.00 C ATOM 1395 CD LYS A 96 0.996 6.429 9.074 1.00 0.00 C ATOM 1396 CE LYS A 96 -0.148 7.330 9.515 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.064 7.863 10.889 1.00 0.00 N ATOM 0 H LYS A 96 0.160 2.751 7.924 1.00 0.00 H new ATOM 0 HA LYS A 96 2.017 4.705 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.841 3.153 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.838 4.569 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.169 4.630 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.575 4.909 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.925 6.769 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.125 6.505 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.247 8.160 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.083 6.771 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.737 8.472 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.134 7.072 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.944 8.417 10.914 1.00 0.00 H new ATOM 1411 N ILE A 97 3.936 3.348 6.229 1.00 0.00 N ATOM 1412 CA ILE A 97 5.144 2.638 5.830 1.00 0.00 C ATOM 1413 C ILE A 97 6.395 3.422 6.213 1.00 0.00 C ATOM 1414 O ILE A 97 6.455 4.639 6.036 1.00 0.00 O ATOM 1415 CB ILE A 97 5.165 2.370 4.313 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.887 3.661 3.541 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.146 1.299 3.950 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.472 3.668 2.146 1.00 0.00 C ATOM 0 H ILE A 97 3.723 4.169 5.663 1.00 0.00 H new ATOM 0 HA ILE A 97 5.139 1.685 6.359 1.00 0.00 H new ATOM 0 HB ILE A 97 6.156 2.010 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.809 3.811 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.292 4.504 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.173 1.121 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.385 0.375 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.149 1.633 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.236 4.613 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.554 3.550 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.048 2.846 1.570 1.00 0.00 H new ATOM 1430 N ARG A 98 7.392 2.717 6.737 1.00 0.00 N ATOM 1431 CA ARG A 98 8.642 3.347 7.145 1.00 0.00 C ATOM 1432 C ARG A 98 9.650 3.346 5.999 1.00 0.00 C ATOM 1433 O ARG A 98 9.971 2.296 5.442 1.00 0.00 O ATOM 1434 CB ARG A 98 9.230 2.624 8.357 1.00 0.00 C ATOM 1435 CG ARG A 98 10.505 3.260 8.886 1.00 0.00 C ATOM 1436 CD ARG A 98 11.299 2.287 9.744 1.00 0.00 C ATOM 1437 NE ARG A 98 12.555 2.868 10.210 1.00 0.00 N ATOM 1438 CZ ARG A 98 12.647 3.675 11.260 1.00 0.00 C ATOM 1439 NH1 ARG A 98 11.562 3.996 11.951 1.00 0.00 N ATOM 1440 NH2 ARG A 98 13.827 4.164 11.623 1.00 0.00 N ATOM 0 H ARG A 98 7.359 1.709 6.889 1.00 0.00 H new ATOM 0 HA ARG A 98 8.428 4.381 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.486 2.604 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.436 1.588 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.120 3.595 8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.256 4.144 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.698 1.987 10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.508 1.384 9.170 1.00 0.00 H new ATOM 0 HE ARG A 98 13.409 2.641 9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.653 3.623 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.636 4.616 12.757 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.665 3.920 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.896 4.784 12.430 1.00 0.00 H new ATOM 1454 N VAL A 99 10.145 4.530 5.653 1.00 0.00 N ATOM 1455 CA VAL A 99 11.118 4.666 4.575 1.00 0.00 C ATOM 1456 C VAL A 99 12.462 5.151 5.105 1.00 0.00 C ATOM 1457 O VAL A 99 12.555 6.221 5.705 1.00 0.00 O ATOM 1458 CB VAL A 99 10.622 5.643 3.492 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.669 5.808 2.402 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.302 5.164 2.907 1.00 0.00 C ATOM 0 H VAL A 99 9.889 5.409 6.103 1.00 0.00 H new ATOM 0 HA VAL A 99 11.241 3.677 4.133 1.00 0.00 H new ATOM 0 HB VAL A 99 10.457 6.616 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.301 6.502 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.588 6.200 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.869 4.841 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.966 5.866 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.438 4.179 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.554 5.103 3.698 1.00 0.00 H new