USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 37 LYS NZ :NH3+ -133:sc= 0.823 (180deg=-0.114) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.724 K(o=1.5,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= 0.38! (180deg=-0.228!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= -0.194 (180deg=-4.85!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.132 USER MOD Single : A 36 LYS NZ :NH3+ -109:sc= -1.46 (180deg=-3.29!) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= -0.162 (180deg=-3.23!) USER MOD Single : A 47 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.14) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 94:sc= 0.155 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 157:sc= -0.536 USER MOD Single : A 72 LYS NZ :NH3+ -126:sc= -1.55! (180deg=-5.34!) USER MOD Single : A 75 ASN : amide:sc= -0.958 K(o=-0.96,f=-4.7!) USER MOD Single : A 78 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -8.236 -32.080 9.021 1.00 0.00 N ATOM 20 CA LYS A 21 -8.661 -31.169 7.925 1.00 0.00 C ATOM 21 C LYS A 21 -7.783 -29.968 7.963 1.00 0.00 C ATOM 22 O LYS A 21 -7.056 -29.678 8.893 1.00 0.00 O ATOM 23 CB LYS A 21 -10.153 -30.923 8.166 1.00 0.00 C ATOM 24 CG LYS A 21 -10.538 -29.954 9.271 1.00 0.00 C ATOM 25 CD LYS A 21 -12.005 -30.381 9.621 1.00 0.00 C ATOM 26 CE LYS A 21 -12.594 -29.459 10.621 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.817 -28.215 9.866 1.00 0.00 N ATOM 0 HA LYS A 21 -8.553 -31.560 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.588 -30.560 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.621 -31.883 8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.876 -30.041 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.489 -28.918 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.614 -30.383 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.010 -31.399 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.526 -29.852 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.921 -29.300 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.544 -27.645 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.930 -27.675 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.135 -28.446 8.903 1.00 0.00 H new ATOM 41 N THR A 22 -7.899 -29.287 6.875 1.00 0.00 N ATOM 42 CA THR A 22 -7.035 -28.103 6.668 1.00 0.00 C ATOM 43 C THR A 22 -7.806 -26.853 6.812 1.00 0.00 C ATOM 44 O THR A 22 -7.198 -25.814 6.745 1.00 0.00 O ATOM 45 CB THR A 22 -6.421 -28.172 5.279 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.479 -28.358 4.339 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.593 -29.444 5.154 1.00 0.00 C ATOM 0 H THR A 22 -8.551 -29.494 6.119 1.00 0.00 H new ATOM 0 HA THR A 22 -6.250 -28.105 7.424 1.00 0.00 H new ATOM 0 HB THR A 22 -5.832 -27.271 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.108 -28.404 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.152 -29.495 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.800 -29.437 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.233 -30.312 5.312 1.00 0.00 H new ATOM 55 N GLU A 23 -9.082 -26.998 7.012 1.00 0.00 N ATOM 56 CA GLU A 23 -9.963 -25.754 7.158 1.00 0.00 C ATOM 57 C GLU A 23 -10.920 -25.674 8.368 1.00 0.00 C ATOM 58 O GLU A 23 -11.494 -26.658 8.767 1.00 0.00 O ATOM 59 CB GLU A 23 -10.782 -25.606 5.847 1.00 0.00 C ATOM 60 CG GLU A 23 -11.861 -26.743 5.641 1.00 0.00 C ATOM 61 CD GLU A 23 -11.339 -28.155 5.990 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.388 -28.609 5.350 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.959 -28.657 6.919 1.00 0.00 O ATOM 0 H GLU A 23 -9.568 -27.892 7.083 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.264 -24.940 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.283 -24.638 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.097 -25.609 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.732 -26.523 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.195 -26.733 4.603 1.00 0.00 H new ATOM 70 N TRP A 24 -11.103 -24.505 8.947 1.00 0.00 N ATOM 71 CA TRP A 24 -12.041 -24.371 10.136 1.00 0.00 C ATOM 72 C TRP A 24 -13.083 -23.245 10.270 1.00 0.00 C ATOM 73 O TRP A 24 -12.917 -22.294 11.009 1.00 0.00 O ATOM 74 CB TRP A 24 -11.187 -24.353 11.389 1.00 0.00 C ATOM 75 CG TRP A 24 -10.533 -25.637 11.651 1.00 0.00 C ATOM 76 CD1 TRP A 24 -11.067 -26.481 12.526 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.396 -26.076 11.176 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.174 -27.462 12.555 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.111 -27.285 11.757 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.591 -25.458 10.245 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.941 -27.884 11.380 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.427 -26.068 9.875 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.101 -27.287 10.445 1.00 0.00 C ATOM 0 H TRP A 24 -10.650 -23.638 8.656 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.697 -25.224 9.965 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.428 -23.577 11.294 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.810 -24.087 12.243 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.993 -26.392 13.075 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.288 -28.289 13.141 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.875 -24.509 9.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.665 -28.834 11.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.772 -25.608 9.150 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.183 -27.781 10.160 1.00 0.00 H new ATOM 94 N PRO A 25 -14.160 -23.376 9.544 1.00 0.00 N ATOM 95 CA PRO A 25 -15.280 -22.409 9.624 1.00 0.00 C ATOM 96 C PRO A 25 -16.187 -22.672 10.853 1.00 0.00 C ATOM 97 O PRO A 25 -16.674 -21.754 11.468 1.00 0.00 O ATOM 98 CB PRO A 25 -15.948 -22.613 8.288 1.00 0.00 C ATOM 99 CG PRO A 25 -15.884 -24.154 8.132 1.00 0.00 C ATOM 100 CD PRO A 25 -14.417 -24.451 8.544 1.00 0.00 C ATOM 0 HA PRO A 25 -14.985 -21.372 9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.974 -22.244 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.421 -22.099 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.601 -24.661 8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.095 -24.471 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.306 -25.446 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.734 -24.393 7.696 1.00 0.00 H new ATOM 108 N GLU A 26 -16.384 -23.909 11.212 1.00 0.00 N ATOM 109 CA GLU A 26 -17.309 -24.282 12.335 1.00 0.00 C ATOM 110 C GLU A 26 -16.972 -23.596 13.689 1.00 0.00 C ATOM 111 O GLU A 26 -17.783 -23.527 14.591 1.00 0.00 O ATOM 112 CB GLU A 26 -17.245 -25.823 12.420 1.00 0.00 C ATOM 113 CG GLU A 26 -15.842 -26.295 12.923 1.00 0.00 C ATOM 114 CD GLU A 26 -14.682 -25.860 12.062 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.425 -26.599 11.136 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.144 -24.818 12.381 1.00 0.00 O ATOM 0 H GLU A 26 -15.931 -24.706 10.764 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.319 -23.926 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.019 -26.187 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.449 -26.254 11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.688 -25.917 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.841 -27.383 12.986 1.00 0.00 H new ATOM 123 N LEU A 27 -15.763 -23.109 13.770 1.00 0.00 N ATOM 124 CA LEU A 27 -15.194 -22.412 14.957 1.00 0.00 C ATOM 125 C LEU A 27 -15.102 -20.864 14.811 1.00 0.00 C ATOM 126 O LEU A 27 -14.637 -20.157 15.692 1.00 0.00 O ATOM 127 CB LEU A 27 -13.824 -23.131 15.167 1.00 0.00 C ATOM 128 CG LEU A 27 -12.666 -22.819 14.218 1.00 0.00 C ATOM 129 CD1 LEU A 27 -12.113 -21.411 14.343 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.561 -23.777 14.617 1.00 0.00 C ATOM 0 H LEU A 27 -15.100 -23.175 12.998 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.837 -22.488 15.834 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.488 -22.908 16.180 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.006 -24.205 15.121 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.023 -22.916 13.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.296 -21.277 13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.902 -20.690 14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.744 -21.254 15.356 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.692 -23.615 13.980 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.286 -23.602 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.910 -24.803 14.501 1.00 0.00 H new ATOM 142 N VAL A 28 -15.576 -20.395 13.685 1.00 0.00 N ATOM 143 CA VAL A 28 -15.584 -18.929 13.340 1.00 0.00 C ATOM 144 C VAL A 28 -16.629 -18.238 14.244 1.00 0.00 C ATOM 145 O VAL A 28 -17.686 -18.777 14.518 1.00 0.00 O ATOM 146 CB VAL A 28 -15.904 -18.879 11.818 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.235 -17.466 11.327 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.616 -19.337 11.085 1.00 0.00 C ATOM 0 H VAL A 28 -15.975 -20.989 12.958 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.647 -18.401 13.515 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.772 -19.509 11.622 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.449 -17.493 10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.106 -17.089 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.385 -16.809 11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.785 -19.321 10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.796 -18.663 11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.360 -20.350 11.397 1.00 0.00 H new ATOM 158 N GLY A 29 -16.309 -17.044 14.691 1.00 0.00 N ATOM 159 CA GLY A 29 -17.214 -16.338 15.680 1.00 0.00 C ATOM 160 C GLY A 29 -16.724 -16.603 17.125 1.00 0.00 C ATOM 161 O GLY A 29 -17.364 -16.266 18.100 1.00 0.00 O ATOM 0 H GLY A 29 -15.472 -16.527 14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.220 -15.267 15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.239 -16.690 15.564 1.00 0.00 H new ATOM 165 N LYS A 30 -15.581 -17.223 17.222 1.00 0.00 N ATOM 166 CA LYS A 30 -14.947 -17.595 18.538 1.00 0.00 C ATOM 167 C LYS A 30 -13.523 -17.074 18.667 1.00 0.00 C ATOM 168 O LYS A 30 -12.990 -16.667 17.666 1.00 0.00 O ATOM 169 CB LYS A 30 -14.874 -19.087 18.649 1.00 0.00 C ATOM 170 CG LYS A 30 -16.278 -19.717 18.605 1.00 0.00 C ATOM 171 CD LYS A 30 -16.151 -21.208 19.014 1.00 0.00 C ATOM 172 CE LYS A 30 -16.902 -21.464 20.329 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.401 -20.534 21.382 1.00 0.00 N ATOM 0 H LYS A 30 -15.030 -17.503 16.411 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.564 -17.150 19.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.268 -19.486 17.836 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.378 -19.361 19.580 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.952 -19.193 19.283 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.702 -19.632 17.605 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.555 -21.844 18.226 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.100 -21.472 19.130 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.972 -21.320 20.182 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.760 -22.497 20.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.072 -21.083 22.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.612 -19.973 21.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.169 -19.897 21.677 1.00 0.00 H new ATOM 187 N SER A 31 -12.942 -17.102 19.835 1.00 0.00 N ATOM 188 CA SER A 31 -11.521 -16.644 19.997 1.00 0.00 C ATOM 189 C SER A 31 -10.519 -17.704 19.775 1.00 0.00 C ATOM 190 O SER A 31 -10.699 -18.902 19.889 1.00 0.00 O ATOM 191 CB SER A 31 -11.381 -16.029 21.407 1.00 0.00 C ATOM 192 OG SER A 31 -12.154 -16.894 22.238 1.00 0.00 O ATOM 0 H SER A 31 -13.389 -17.424 20.694 1.00 0.00 H new ATOM 0 HA SER A 31 -11.312 -15.905 19.223 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.339 -15.995 21.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.757 -15.006 21.436 1.00 0.00 H new ATOM 0 HG SER A 31 -12.119 -16.575 23.164 1.00 0.00 H new ATOM 198 N VAL A 32 -9.430 -17.108 19.420 1.00 0.00 N ATOM 199 CA VAL A 32 -8.238 -17.816 19.024 1.00 0.00 C ATOM 200 C VAL A 32 -7.801 -19.063 19.783 1.00 0.00 C ATOM 201 O VAL A 32 -7.520 -20.073 19.175 1.00 0.00 O ATOM 202 CB VAL A 32 -7.184 -16.735 18.999 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.734 -16.348 20.420 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.951 -17.282 18.251 1.00 0.00 C ATOM 0 H VAL A 32 -9.332 -16.093 19.393 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.437 -18.306 18.071 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.606 -15.856 18.512 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.975 -15.568 20.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.590 -15.980 20.985 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.318 -17.222 20.921 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.175 -16.517 18.220 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.572 -18.163 18.769 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.233 -17.553 17.234 1.00 0.00 H new ATOM 214 N GLU A 33 -7.735 -19.008 21.084 1.00 0.00 N ATOM 215 CA GLU A 33 -7.294 -20.232 21.822 1.00 0.00 C ATOM 216 C GLU A 33 -8.251 -21.381 21.525 1.00 0.00 C ATOM 217 O GLU A 33 -7.822 -22.466 21.169 1.00 0.00 O ATOM 218 CB GLU A 33 -7.201 -19.842 23.331 1.00 0.00 C ATOM 219 CG GLU A 33 -5.863 -18.984 23.537 1.00 0.00 C ATOM 220 CD GLU A 33 -4.555 -19.746 23.210 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.554 -20.953 23.040 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.531 -19.092 23.125 1.00 0.00 O ATOM 0 H GLU A 33 -7.959 -18.195 21.658 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.314 -20.589 21.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.075 -19.263 23.630 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.181 -20.735 23.955 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.917 -18.094 22.910 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.821 -18.643 24.571 1.00 0.00 H new ATOM 229 N GLU A 34 -9.516 -21.095 21.654 1.00 0.00 N ATOM 230 CA GLU A 34 -10.605 -22.077 21.345 1.00 0.00 C ATOM 231 C GLU A 34 -10.291 -22.595 19.947 1.00 0.00 C ATOM 232 O GLU A 34 -10.232 -23.785 19.726 1.00 0.00 O ATOM 233 CB GLU A 34 -11.987 -21.393 21.326 1.00 0.00 C ATOM 234 CG GLU A 34 -12.395 -20.849 22.717 1.00 0.00 C ATOM 235 CD GLU A 34 -13.820 -20.298 22.627 1.00 0.00 C ATOM 236 OE1 GLU A 34 -14.061 -19.377 21.852 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.625 -20.854 23.356 1.00 0.00 O ATOM 0 H GLU A 34 -9.856 -20.188 21.973 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.643 -22.865 22.097 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.974 -20.573 20.608 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.737 -22.105 20.983 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.342 -21.642 23.463 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.706 -20.066 23.034 1.00 0.00 H new ATOM 244 N ALA A 35 -10.093 -21.690 19.027 1.00 0.00 N ATOM 245 CA ALA A 35 -9.739 -22.140 17.644 1.00 0.00 C ATOM 246 C ALA A 35 -8.545 -23.100 17.653 1.00 0.00 C ATOM 247 O ALA A 35 -8.678 -24.212 17.200 1.00 0.00 O ATOM 248 CB ALA A 35 -9.407 -20.934 16.795 1.00 0.00 C ATOM 0 H ALA A 35 -10.158 -20.681 19.164 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.596 -22.671 17.230 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.149 -21.259 15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.271 -20.270 16.752 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.562 -20.402 17.233 1.00 0.00 H new ATOM 254 N LYS A 36 -7.421 -22.677 18.176 1.00 0.00 N ATOM 255 CA LYS A 36 -6.203 -23.530 18.190 1.00 0.00 C ATOM 256 C LYS A 36 -6.625 -24.894 18.648 1.00 0.00 C ATOM 257 O LYS A 36 -6.400 -25.902 18.025 1.00 0.00 O ATOM 258 CB LYS A 36 -5.155 -22.954 19.164 1.00 0.00 C ATOM 259 CG LYS A 36 -4.440 -21.706 18.590 1.00 0.00 C ATOM 260 CD LYS A 36 -3.810 -20.869 19.746 1.00 0.00 C ATOM 261 CE LYS A 36 -2.877 -21.695 20.632 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.316 -20.770 21.658 1.00 0.00 N ATOM 0 H LYS A 36 -7.299 -21.758 18.601 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.753 -23.570 17.198 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.642 -22.691 20.103 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.415 -23.721 19.392 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.664 -22.012 17.888 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.150 -21.095 18.033 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.255 -20.032 19.322 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.606 -20.446 20.359 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.420 -22.513 21.106 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.079 -22.143 20.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.310 -20.600 21.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.832 -19.867 21.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.415 -21.197 22.601 1.00 0.00 H new ATOM 276 N LYS A 37 -7.284 -24.834 19.760 1.00 0.00 N ATOM 277 CA LYS A 37 -7.735 -26.056 20.426 1.00 0.00 C ATOM 278 C LYS A 37 -8.550 -26.941 19.481 1.00 0.00 C ATOM 279 O LYS A 37 -8.246 -28.099 19.298 1.00 0.00 O ATOM 280 CB LYS A 37 -8.557 -25.646 21.664 1.00 0.00 C ATOM 281 CG LYS A 37 -9.077 -26.925 22.355 1.00 0.00 C ATOM 282 CD LYS A 37 -10.015 -26.534 23.524 1.00 0.00 C ATOM 283 CE LYS A 37 -10.681 -27.812 24.083 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.781 -28.230 23.142 1.00 0.00 N ATOM 0 H LYS A 37 -7.530 -23.968 20.239 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.874 -26.650 20.733 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.941 -25.068 22.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.391 -25.009 21.370 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.612 -27.547 21.638 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.240 -27.516 22.728 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.450 -26.030 24.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.775 -25.833 23.179 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.945 -28.610 24.183 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.085 -27.624 25.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.641 -28.444 23.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.978 -27.458 22.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.485 -29.077 22.616 1.00 0.00 H new ATOM 298 N VAL A 38 -9.558 -26.351 18.908 1.00 0.00 N ATOM 299 CA VAL A 38 -10.454 -27.086 17.942 1.00 0.00 C ATOM 300 C VAL A 38 -9.614 -27.711 16.832 1.00 0.00 C ATOM 301 O VAL A 38 -9.632 -28.889 16.524 1.00 0.00 O ATOM 302 CB VAL A 38 -11.443 -26.132 17.226 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.251 -26.917 16.154 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.439 -25.440 18.128 1.00 0.00 C ATOM 0 H VAL A 38 -9.813 -25.376 19.063 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.995 -27.828 18.530 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.811 -25.357 16.794 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.945 -26.241 15.654 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.566 -27.341 15.420 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.810 -27.720 16.635 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.084 -24.796 17.531 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.046 -26.187 18.641 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.906 -24.838 18.864 1.00 0.00 H new ATOM 314 N ILE A 39 -8.885 -26.813 16.255 1.00 0.00 N ATOM 315 CA ILE A 39 -8.009 -27.103 15.103 1.00 0.00 C ATOM 316 C ILE A 39 -7.062 -28.221 15.382 1.00 0.00 C ATOM 317 O ILE A 39 -6.862 -29.068 14.552 1.00 0.00 O ATOM 318 CB ILE A 39 -7.316 -25.806 14.790 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.455 -24.882 14.312 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.373 -26.046 13.652 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.901 -23.673 13.648 1.00 0.00 C ATOM 0 H ILE A 39 -8.861 -25.838 16.553 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.578 -27.454 14.242 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.760 -25.392 15.631 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.101 -25.421 13.619 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.072 -24.587 15.161 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.857 -25.118 13.405 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.642 -26.803 13.938 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.932 -26.392 12.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.719 -23.033 13.317 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.274 -23.126 14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.304 -23.972 12.787 1.00 0.00 H new ATOM 333 N LEU A 40 -6.507 -28.160 16.537 1.00 0.00 N ATOM 334 CA LEU A 40 -5.610 -29.198 17.062 1.00 0.00 C ATOM 335 C LEU A 40 -6.394 -30.444 17.457 1.00 0.00 C ATOM 336 O LEU A 40 -5.883 -31.536 17.341 1.00 0.00 O ATOM 337 CB LEU A 40 -4.916 -28.520 18.211 1.00 0.00 C ATOM 338 CG LEU A 40 -3.914 -27.524 17.615 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.427 -26.535 18.667 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.738 -28.363 17.143 1.00 0.00 C ATOM 0 H LEU A 40 -6.648 -27.381 17.180 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.886 -29.569 16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.637 -28.006 18.846 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.405 -29.252 18.837 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.373 -26.947 16.812 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.718 -25.842 18.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.276 -25.978 19.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.938 -27.077 19.477 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.981 -27.714 16.704 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.310 -28.899 17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.079 -29.079 16.396 1.00 0.00 H new ATOM 352 N GLN A 41 -7.601 -30.267 17.916 1.00 0.00 N ATOM 353 CA GLN A 41 -8.446 -31.442 18.291 1.00 0.00 C ATOM 354 C GLN A 41 -8.715 -32.239 16.981 1.00 0.00 C ATOM 355 O GLN A 41 -9.084 -33.396 16.991 1.00 0.00 O ATOM 356 CB GLN A 41 -9.716 -30.858 18.948 1.00 0.00 C ATOM 357 CG GLN A 41 -10.434 -31.935 19.789 1.00 0.00 C ATOM 358 CD GLN A 41 -11.663 -31.346 20.492 1.00 0.00 C ATOM 359 OE1 GLN A 41 -11.604 -30.533 21.401 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.829 -31.731 20.099 1.00 0.00 N ATOM 0 H GLN A 41 -8.043 -29.357 18.049 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.990 -32.134 18.999 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.449 -30.012 19.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.390 -30.480 18.179 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.738 -32.762 19.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.746 -32.343 20.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.914 -32.409 19.342 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.667 -31.357 20.545 1.00 0.00 H new ATOM 369 N ASP A 42 -8.504 -31.530 15.904 1.00 0.00 N ATOM 370 CA ASP A 42 -8.618 -32.039 14.513 1.00 0.00 C ATOM 371 C ASP A 42 -7.238 -32.484 13.898 1.00 0.00 C ATOM 372 O ASP A 42 -7.005 -33.633 13.592 1.00 0.00 O ATOM 373 CB ASP A 42 -9.310 -30.869 13.803 1.00 0.00 C ATOM 374 CG ASP A 42 -9.593 -31.227 12.377 1.00 0.00 C ATOM 375 OD1 ASP A 42 -8.597 -31.218 11.675 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.743 -31.478 12.080 1.00 0.00 O ATOM 0 H ASP A 42 -8.238 -30.546 15.944 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.183 -32.966 14.420 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.240 -30.621 14.315 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.677 -29.983 13.845 1.00 0.00 H new ATOM 381 N LYS A 43 -6.373 -31.538 13.749 1.00 0.00 N ATOM 382 CA LYS A 43 -4.991 -31.639 13.194 1.00 0.00 C ATOM 383 C LYS A 43 -3.942 -31.567 14.351 1.00 0.00 C ATOM 384 O LYS A 43 -3.148 -30.647 14.390 1.00 0.00 O ATOM 385 CB LYS A 43 -4.897 -30.448 12.202 1.00 0.00 C ATOM 386 CG LYS A 43 -3.625 -30.473 11.340 1.00 0.00 C ATOM 387 CD LYS A 43 -3.914 -31.351 10.098 1.00 0.00 C ATOM 388 CE LYS A 43 -2.704 -31.388 9.198 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.599 -32.001 9.977 1.00 0.00 N ATOM 0 H LYS A 43 -6.595 -30.581 14.023 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.783 -32.582 12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.770 -30.458 11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.929 -29.514 12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.348 -29.463 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.787 -30.877 11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.176 -32.362 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.770 -30.954 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.910 -31.969 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.435 -30.383 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.043 -32.625 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.984 -31.252 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.994 -32.555 10.763 1.00 0.00 H new ATOM 403 N PRO A 44 -3.946 -32.514 15.273 1.00 0.00 N ATOM 404 CA PRO A 44 -2.998 -32.562 16.422 1.00 0.00 C ATOM 405 C PRO A 44 -1.685 -31.755 16.374 1.00 0.00 C ATOM 406 O PRO A 44 -1.408 -31.046 17.321 1.00 0.00 O ATOM 407 CB PRO A 44 -2.789 -34.066 16.600 1.00 0.00 C ATOM 408 CG PRO A 44 -4.223 -34.610 16.418 1.00 0.00 C ATOM 409 CD PRO A 44 -4.863 -33.690 15.335 1.00 0.00 C ATOM 0 HA PRO A 44 -3.433 -32.033 17.270 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.101 -34.473 15.860 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.382 -34.309 17.581 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.213 -35.652 16.097 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.783 -34.570 17.352 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.930 -34.195 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.875 -33.393 15.611 1.00 0.00 H new ATOM 417 N GLU A 45 -0.905 -31.841 15.321 1.00 0.00 N ATOM 418 CA GLU A 45 0.374 -31.091 15.327 1.00 0.00 C ATOM 419 C GLU A 45 0.298 -29.667 14.726 1.00 0.00 C ATOM 420 O GLU A 45 1.320 -29.072 14.435 1.00 0.00 O ATOM 421 CB GLU A 45 1.347 -32.038 14.599 1.00 0.00 C ATOM 422 CG GLU A 45 1.221 -32.060 13.035 1.00 0.00 C ATOM 423 CD GLU A 45 -0.148 -31.844 12.418 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.984 -32.729 12.504 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.327 -30.787 11.853 1.00 0.00 O ATOM 0 H GLU A 45 -1.099 -32.386 14.481 1.00 0.00 H new ATOM 0 HA GLU A 45 0.702 -30.856 16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.367 -31.755 14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.191 -33.050 14.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.889 -31.296 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.595 -33.022 12.685 1.00 0.00 H new ATOM 432 N ALA A 46 -0.884 -29.125 14.544 1.00 0.00 N ATOM 433 CA ALA A 46 -0.990 -27.735 14.001 1.00 0.00 C ATOM 434 C ALA A 46 -0.274 -26.650 14.896 1.00 0.00 C ATOM 435 O ALA A 46 -0.793 -26.165 15.886 1.00 0.00 O ATOM 436 CB ALA A 46 -2.543 -27.435 13.807 1.00 0.00 C ATOM 0 H ALA A 46 -1.773 -29.582 14.747 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.461 -27.672 13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.672 -26.428 13.411 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.969 -28.157 13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.052 -27.515 14.768 1.00 0.00 H new ATOM 442 N GLN A 47 0.931 -26.286 14.535 1.00 0.00 N ATOM 443 CA GLN A 47 1.686 -25.203 15.268 1.00 0.00 C ATOM 444 C GLN A 47 0.962 -23.922 14.813 1.00 0.00 C ATOM 445 O GLN A 47 1.420 -23.179 13.972 1.00 0.00 O ATOM 446 CB GLN A 47 3.159 -25.195 14.798 1.00 0.00 C ATOM 447 CG GLN A 47 4.032 -24.084 15.421 1.00 0.00 C ATOM 448 CD GLN A 47 5.271 -23.822 14.543 1.00 0.00 C ATOM 449 OE1 GLN A 47 6.180 -23.142 14.964 1.00 0.00 O ATOM 450 NE2 GLN A 47 5.411 -24.292 13.336 1.00 0.00 N ATOM 0 H GLN A 47 1.438 -26.696 13.751 1.00 0.00 H new ATOM 0 HA GLN A 47 1.703 -25.323 16.351 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.605 -26.162 15.031 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.179 -25.088 13.713 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.450 -23.168 15.522 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.344 -24.376 16.424 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.679 -24.872 12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.253 -24.080 12.801 1.00 0.00 H new ATOM 459 N ILE A 48 -0.179 -23.709 15.396 1.00 0.00 N ATOM 460 CA ILE A 48 -1.009 -22.530 15.007 1.00 0.00 C ATOM 461 C ILE A 48 -0.470 -21.204 15.537 1.00 0.00 C ATOM 462 O ILE A 48 -0.095 -21.049 16.684 1.00 0.00 O ATOM 463 CB ILE A 48 -2.413 -22.777 15.510 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.898 -24.083 14.853 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.372 -21.599 15.168 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.266 -24.504 15.272 1.00 0.00 C ATOM 0 H ILE A 48 -0.578 -24.298 16.127 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.986 -22.433 13.922 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.411 -22.857 16.597 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.883 -23.960 13.770 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.195 -24.881 15.093 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.369 -21.820 15.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.002 -20.683 15.629 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.417 -21.468 14.087 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.533 -25.431 14.765 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.284 -24.662 16.350 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.983 -23.727 15.007 1.00 0.00 H new ATOM 478 N ILE A 49 -0.486 -20.282 14.620 1.00 0.00 N ATOM 479 CA ILE A 49 0.008 -18.895 14.849 1.00 0.00 C ATOM 480 C ILE A 49 -1.143 -17.914 14.598 1.00 0.00 C ATOM 481 O ILE A 49 -1.894 -18.050 13.644 1.00 0.00 O ATOM 482 CB ILE A 49 1.191 -18.637 13.896 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.568 -19.062 14.480 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.275 -17.159 13.441 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.705 -20.592 14.620 1.00 0.00 C ATOM 0 H ILE A 49 -0.838 -20.441 13.676 1.00 0.00 H new ATOM 0 HA ILE A 49 0.353 -18.760 15.874 1.00 0.00 H new ATOM 0 HB ILE A 49 0.979 -19.269 13.034 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.363 -18.687 13.836 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.703 -18.598 15.457 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.126 -17.032 12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.358 -16.886 12.918 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.401 -16.517 14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.685 -20.833 15.032 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.928 -20.967 15.286 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.599 -21.058 13.640 1.00 0.00 H new ATOM 497 N VAL A 50 -1.236 -16.947 15.467 1.00 0.00 N ATOM 498 CA VAL A 50 -2.315 -15.941 15.303 1.00 0.00 C ATOM 499 C VAL A 50 -1.804 -14.730 14.535 1.00 0.00 C ATOM 500 O VAL A 50 -0.683 -14.272 14.682 1.00 0.00 O ATOM 501 CB VAL A 50 -2.808 -15.529 16.703 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.679 -14.851 17.511 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.958 -14.530 16.582 1.00 0.00 C ATOM 0 H VAL A 50 -0.622 -16.812 16.270 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.139 -16.368 14.732 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.135 -16.435 17.214 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.054 -14.570 18.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.846 -15.545 17.624 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.340 -13.959 16.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.299 -14.245 17.577 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.615 -13.643 16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.781 -14.988 16.034 1.00 0.00 H new ATOM 513 N LEU A 51 -2.680 -14.250 13.702 1.00 0.00 N ATOM 514 CA LEU A 51 -2.375 -13.027 12.908 1.00 0.00 C ATOM 515 C LEU A 51 -3.640 -12.150 12.928 1.00 0.00 C ATOM 516 O LEU A 51 -4.729 -12.691 12.827 1.00 0.00 O ATOM 517 CB LEU A 51 -2.062 -13.391 11.455 1.00 0.00 C ATOM 518 CG LEU A 51 -0.886 -14.388 11.273 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.468 -15.771 10.894 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.019 -13.881 10.111 1.00 0.00 C ATOM 0 H LEU A 51 -3.602 -14.654 13.534 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.512 -12.513 13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.956 -13.819 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.833 -12.477 10.907 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.305 -14.466 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.654 -16.484 10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.129 -16.117 11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.031 -15.687 9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.851 -14.571 9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.565 -13.825 9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.406 -12.892 10.356 1.00 0.00 H new ATOM 532 N PRO A 52 -3.521 -10.848 13.049 1.00 0.00 N ATOM 533 CA PRO A 52 -4.722 -9.971 13.016 1.00 0.00 C ATOM 534 C PRO A 52 -5.214 -9.874 11.548 1.00 0.00 C ATOM 535 O PRO A 52 -4.447 -9.815 10.608 1.00 0.00 O ATOM 536 CB PRO A 52 -4.194 -8.675 13.616 1.00 0.00 C ATOM 537 CG PRO A 52 -2.751 -8.627 13.028 1.00 0.00 C ATOM 538 CD PRO A 52 -2.255 -10.076 13.233 1.00 0.00 C ATOM 0 HA PRO A 52 -5.597 -10.310 13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.788 -7.812 13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.193 -8.698 14.706 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.751 -8.344 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.124 -7.906 13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.493 -10.356 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.822 -10.226 14.222 1.00 0.00 H new ATOM 546 N VAL A 53 -6.499 -9.862 11.355 1.00 0.00 N ATOM 547 CA VAL A 53 -7.087 -9.783 9.985 1.00 0.00 C ATOM 548 C VAL A 53 -6.434 -8.824 9.027 1.00 0.00 C ATOM 549 O VAL A 53 -6.231 -7.659 9.295 1.00 0.00 O ATOM 550 CB VAL A 53 -8.576 -9.513 10.182 1.00 0.00 C ATOM 551 CG1 VAL A 53 -9.201 -8.921 8.903 1.00 0.00 C ATOM 552 CG2 VAL A 53 -9.172 -10.918 10.387 1.00 0.00 C ATOM 0 H VAL A 53 -7.187 -9.905 12.106 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.903 -10.729 9.476 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.757 -8.815 10.999 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.263 -8.737 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.704 -7.983 8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.078 -9.624 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.248 -10.838 10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.974 -11.529 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.716 -11.383 11.261 1.00 0.00 H new ATOM 562 N GLY A 54 -6.136 -9.410 7.904 1.00 0.00 N ATOM 563 CA GLY A 54 -5.384 -8.639 6.850 1.00 0.00 C ATOM 564 C GLY A 54 -3.901 -9.044 6.768 1.00 0.00 C ATOM 565 O GLY A 54 -3.300 -8.901 5.723 1.00 0.00 O ATOM 0 H GLY A 54 -6.371 -10.373 7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.855 -8.801 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.455 -7.573 7.065 1.00 0.00 H new ATOM 569 N THR A 55 -3.326 -9.521 7.849 1.00 0.00 N ATOM 570 CA THR A 55 -1.902 -9.948 7.828 1.00 0.00 C ATOM 571 C THR A 55 -1.680 -11.226 6.978 1.00 0.00 C ATOM 572 O THR A 55 -2.577 -11.839 6.433 1.00 0.00 O ATOM 573 CB THR A 55 -1.559 -10.011 9.343 1.00 0.00 C ATOM 574 OG1 THR A 55 -0.936 -8.771 9.634 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.516 -10.936 9.637 1.00 0.00 C ATOM 0 H THR A 55 -3.793 -9.631 8.749 1.00 0.00 H new ATOM 0 HA THR A 55 -1.212 -9.277 7.316 1.00 0.00 H new ATOM 0 HB THR A 55 -2.471 -10.266 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.693 -8.742 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.321 -10.936 10.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.817 -11.935 9.323 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.389 -10.645 9.104 1.00 0.00 H new ATOM 583 N ILE A 56 -0.450 -11.614 6.872 1.00 0.00 N ATOM 584 CA ILE A 56 -0.104 -12.754 5.972 1.00 0.00 C ATOM 585 C ILE A 56 -0.687 -14.182 6.118 1.00 0.00 C ATOM 586 O ILE A 56 -0.367 -14.985 6.975 1.00 0.00 O ATOM 587 CB ILE A 56 1.450 -12.805 5.959 1.00 0.00 C ATOM 588 CG1 ILE A 56 2.023 -11.405 5.513 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.935 -13.898 4.970 1.00 0.00 C ATOM 590 CD1 ILE A 56 1.650 -11.000 4.051 1.00 0.00 C ATOM 0 H ILE A 56 0.338 -11.196 7.367 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.628 -12.499 5.051 1.00 0.00 H new ATOM 0 HB ILE A 56 1.806 -13.043 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.655 -10.639 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.109 -11.422 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.025 -13.928 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.547 -14.868 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.575 -13.667 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.082 -10.026 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.042 -11.743 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.566 -10.948 3.953 1.00 0.00 H new ATOM 602 N VAL A 57 -1.568 -14.427 5.194 1.00 0.00 N ATOM 603 CA VAL A 57 -2.221 -15.770 4.962 1.00 0.00 C ATOM 604 C VAL A 57 -1.660 -16.461 3.735 1.00 0.00 C ATOM 605 O VAL A 57 -1.232 -17.604 3.747 1.00 0.00 O ATOM 606 CB VAL A 57 -3.767 -15.629 4.805 1.00 0.00 C ATOM 607 CG1 VAL A 57 -4.491 -16.592 5.753 1.00 0.00 C ATOM 608 CG2 VAL A 57 -4.223 -14.201 5.182 1.00 0.00 C ATOM 0 H VAL A 57 -1.889 -13.711 4.543 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.002 -16.377 5.840 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.008 -15.851 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.568 -16.481 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.203 -17.617 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.217 -16.363 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.304 -14.122 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.953 -13.994 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.734 -13.479 4.528 1.00 0.00 H new ATOM 618 N THR A 58 -1.656 -15.713 2.690 1.00 0.00 N ATOM 619 CA THR A 58 -1.180 -16.168 1.361 1.00 0.00 C ATOM 620 C THR A 58 0.325 -16.194 1.076 1.00 0.00 C ATOM 621 O THR A 58 0.943 -15.564 0.245 1.00 0.00 O ATOM 622 CB THR A 58 -1.911 -15.326 0.385 1.00 0.00 C ATOM 623 OG1 THR A 58 -2.838 -14.506 1.078 1.00 0.00 O ATOM 624 CG2 THR A 58 -2.726 -16.281 -0.408 1.00 0.00 C ATOM 0 H THR A 58 -1.981 -14.746 2.697 1.00 0.00 H new ATOM 0 HA THR A 58 -1.389 -17.236 1.297 1.00 0.00 H new ATOM 0 HB THR A 58 -1.228 -14.716 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.428 -13.636 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.300 -15.735 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.069 -16.995 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.408 -16.815 0.254 1.00 0.00 H new ATOM 632 N MET A 59 0.764 -17.048 1.921 1.00 0.00 N ATOM 633 CA MET A 59 2.159 -17.515 2.162 1.00 0.00 C ATOM 634 C MET A 59 2.365 -18.866 1.427 1.00 0.00 C ATOM 635 O MET A 59 1.615 -19.234 0.538 1.00 0.00 O ATOM 636 CB MET A 59 2.244 -17.565 3.722 1.00 0.00 C ATOM 637 CG MET A 59 3.628 -17.824 4.363 1.00 0.00 C ATOM 638 SD MET A 59 3.631 -17.889 6.174 1.00 0.00 S ATOM 639 CE MET A 59 4.897 -16.640 6.503 1.00 0.00 C ATOM 0 H MET A 59 0.115 -17.515 2.554 1.00 0.00 H new ATOM 0 HA MET A 59 2.959 -16.885 1.774 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.869 -16.617 4.108 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.564 -18.343 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.019 -18.767 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.314 -17.040 4.041 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.038 -16.540 7.579 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.836 -16.943 6.040 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.581 -15.683 6.088 1.00 0.00 H new ATOM 649 N GLU A 60 3.404 -19.529 1.864 1.00 0.00 N ATOM 650 CA GLU A 60 3.775 -20.907 1.468 1.00 0.00 C ATOM 651 C GLU A 60 2.799 -21.885 2.153 1.00 0.00 C ATOM 652 O GLU A 60 1.614 -21.627 2.265 1.00 0.00 O ATOM 653 CB GLU A 60 5.231 -21.076 1.914 1.00 0.00 C ATOM 654 CG GLU A 60 5.376 -21.132 3.483 1.00 0.00 C ATOM 655 CD GLU A 60 6.272 -22.299 3.902 1.00 0.00 C ATOM 656 OE1 GLU A 60 5.876 -23.425 3.676 1.00 0.00 O ATOM 657 OE2 GLU A 60 7.330 -22.027 4.439 1.00 0.00 O ATOM 0 H GLU A 60 4.057 -19.126 2.536 1.00 0.00 H new ATOM 0 HA GLU A 60 3.704 -21.105 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.637 -21.990 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.825 -20.249 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.796 -20.195 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.393 -21.240 3.940 1.00 0.00 H new ATOM 664 N TYR A 61 3.340 -22.989 2.575 1.00 0.00 N ATOM 665 CA TYR A 61 2.545 -24.036 3.253 1.00 0.00 C ATOM 666 C TYR A 61 3.204 -24.650 4.495 1.00 0.00 C ATOM 667 O TYR A 61 3.827 -25.696 4.447 1.00 0.00 O ATOM 668 CB TYR A 61 2.266 -25.086 2.219 1.00 0.00 C ATOM 669 CG TYR A 61 1.043 -25.894 2.608 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.198 -25.324 2.483 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.157 -27.185 3.036 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.335 -26.046 2.776 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.014 -27.911 3.326 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.237 -27.345 3.196 1.00 0.00 C ATOM 675 OH TYR A 61 -2.383 -28.067 3.470 1.00 0.00 O ATOM 0 H TYR A 61 4.330 -23.212 2.473 1.00 0.00 H new ATOM 0 HA TYR A 61 1.637 -23.580 3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.107 -24.617 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.129 -25.745 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.285 -24.300 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.131 -27.637 3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.306 -25.585 2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.103 -28.935 3.659 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.192 -29.025 3.395 1.00 0.00 H new ATOM 685 N ARG A 62 3.058 -23.990 5.603 1.00 0.00 N ATOM 686 CA ARG A 62 3.589 -24.578 6.858 1.00 0.00 C ATOM 687 C ARG A 62 2.456 -25.433 7.344 1.00 0.00 C ATOM 688 O ARG A 62 1.704 -25.115 8.240 1.00 0.00 O ATOM 689 CB ARG A 62 3.886 -23.505 7.912 1.00 0.00 C ATOM 690 CG ARG A 62 5.090 -22.667 7.525 1.00 0.00 C ATOM 691 CD ARG A 62 6.346 -23.535 7.553 1.00 0.00 C ATOM 692 NE ARG A 62 6.426 -24.184 6.221 1.00 0.00 N ATOM 693 CZ ARG A 62 7.239 -25.098 5.902 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.175 -26.211 6.518 1.00 0.00 N ATOM 695 NH2 ARG A 62 8.038 -24.765 4.967 1.00 0.00 N ATOM 0 H ARG A 62 2.601 -23.083 5.696 1.00 0.00 H new ATOM 0 HA ARG A 62 4.524 -25.113 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.015 -22.860 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.066 -23.980 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.948 -22.246 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.199 -21.829 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.233 -22.932 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.288 -24.280 8.347 1.00 0.00 H new ATOM 0 HE ARG A 62 5.772 -23.867 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.479 -26.349 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.820 -26.964 6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.980 -23.834 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.736 -25.429 4.632 1.00 0.00 H new ATOM 709 N ILE A 63 2.381 -26.531 6.665 1.00 0.00 N ATOM 710 CA ILE A 63 1.336 -27.540 7.026 1.00 0.00 C ATOM 711 C ILE A 63 1.356 -27.909 8.509 1.00 0.00 C ATOM 712 O ILE A 63 0.415 -28.417 9.078 1.00 0.00 O ATOM 713 CB ILE A 63 1.540 -28.787 6.142 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.402 -29.798 6.342 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.824 -29.510 6.550 1.00 0.00 C ATOM 716 CD1 ILE A 63 -1.003 -29.191 6.195 1.00 0.00 C ATOM 0 H ILE A 63 2.985 -26.782 5.883 1.00 0.00 H new ATOM 0 HA ILE A 63 0.354 -27.102 6.845 1.00 0.00 H new ATOM 0 HB ILE A 63 1.576 -28.443 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.516 -30.606 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.494 -30.242 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.962 -30.390 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.674 -28.839 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.753 -29.817 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.753 -29.967 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.138 -28.403 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.116 -28.772 5.195 1.00 0.00 H new ATOM 728 N ASP A 64 2.484 -27.613 9.063 1.00 0.00 N ATOM 729 CA ASP A 64 2.781 -27.807 10.492 1.00 0.00 C ATOM 730 C ASP A 64 2.178 -26.597 11.279 1.00 0.00 C ATOM 731 O ASP A 64 2.523 -26.376 12.414 1.00 0.00 O ATOM 732 CB ASP A 64 4.338 -27.916 10.479 1.00 0.00 C ATOM 733 CG ASP A 64 4.949 -26.690 9.780 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.973 -25.672 10.452 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.345 -26.808 8.630 1.00 0.00 O ATOM 0 H ASP A 64 3.265 -27.216 8.541 1.00 0.00 H new ATOM 0 HA ASP A 64 2.353 -28.678 10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.714 -27.987 11.500 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.642 -28.827 9.964 1.00 0.00 H new ATOM 740 N ARG A 65 1.288 -25.850 10.655 1.00 0.00 N ATOM 741 CA ARG A 65 0.652 -24.591 11.220 1.00 0.00 C ATOM 742 C ARG A 65 -0.762 -24.115 10.747 1.00 0.00 C ATOM 743 O ARG A 65 -0.905 -23.904 9.553 1.00 0.00 O ATOM 744 CB ARG A 65 1.646 -23.458 10.934 1.00 0.00 C ATOM 745 CG ARG A 65 1.022 -22.017 11.244 1.00 0.00 C ATOM 746 CD ARG A 65 1.917 -20.851 10.798 1.00 0.00 C ATOM 747 NE ARG A 65 1.918 -20.863 9.301 1.00 0.00 N ATOM 748 CZ ARG A 65 2.799 -20.290 8.553 1.00 0.00 C ATOM 749 NH1 ARG A 65 3.654 -19.475 9.026 1.00 0.00 N ATOM 750 NH2 ARG A 65 2.784 -20.583 7.313 1.00 0.00 N ATOM 0 H ARG A 65 0.954 -26.074 9.718 1.00 0.00 H new ATOM 0 HA ARG A 65 0.455 -24.850 12.260 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.542 -23.602 11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.954 -23.502 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.056 -21.934 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.837 -21.933 12.315 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.536 -19.903 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.928 -20.968 11.187 1.00 0.00 H new ATOM 0 HE ARG A 65 1.162 -21.364 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.655 -19.259 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.338 -19.038 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.096 -21.244 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.460 -20.156 6.680 1.00 0.00 H new ATOM 764 N VAL A 66 -1.768 -23.936 11.596 1.00 0.00 N ATOM 765 CA VAL A 66 -2.990 -23.289 10.990 1.00 0.00 C ATOM 766 C VAL A 66 -2.791 -21.781 11.207 1.00 0.00 C ATOM 767 O VAL A 66 -2.219 -21.300 12.172 1.00 0.00 O ATOM 768 CB VAL A 66 -4.350 -23.762 11.637 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.599 -23.227 10.897 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.608 -25.161 11.213 1.00 0.00 C ATOM 0 H VAL A 66 -1.800 -24.183 12.585 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.075 -23.568 9.940 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.243 -23.496 12.689 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.499 -23.590 11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.591 -22.137 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.588 -23.577 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.545 -25.507 11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.677 -25.205 10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.792 -25.800 11.551 1.00 0.00 H new ATOM 780 N ARG A 67 -3.300 -21.101 10.235 1.00 0.00 N ATOM 781 CA ARG A 67 -3.195 -19.630 10.096 1.00 0.00 C ATOM 782 C ARG A 67 -4.525 -19.077 10.595 1.00 0.00 C ATOM 783 O ARG A 67 -5.535 -19.357 9.968 1.00 0.00 O ATOM 784 CB ARG A 67 -2.943 -19.433 8.601 1.00 0.00 C ATOM 785 CG ARG A 67 -2.453 -18.041 8.257 1.00 0.00 C ATOM 786 CD ARG A 67 -0.922 -17.967 8.525 1.00 0.00 C ATOM 787 NE ARG A 67 -0.302 -18.936 7.539 1.00 0.00 N ATOM 788 CZ ARG A 67 -0.106 -18.624 6.314 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.063 -17.434 5.928 1.00 0.00 N ATOM 790 NH2 ARG A 67 -0.111 -19.595 5.509 1.00 0.00 N ATOM 0 H ARG A 67 -3.823 -21.538 9.476 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.410 -19.124 10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.208 -20.164 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.865 -19.632 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.664 -17.814 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.977 -17.297 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.544 -16.956 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.688 -18.246 9.552 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.033 -19.865 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.047 -16.671 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.216 -17.235 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.264 -20.543 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.038 -19.433 4.513 1.00 0.00 H new ATOM 804 N LEU A 68 -4.534 -18.347 11.687 1.00 0.00 N ATOM 805 CA LEU A 68 -5.840 -17.804 12.170 1.00 0.00 C ATOM 806 C LEU A 68 -5.945 -16.290 12.103 1.00 0.00 C ATOM 807 O LEU A 68 -5.331 -15.585 12.884 1.00 0.00 O ATOM 808 CB LEU A 68 -6.087 -18.250 13.635 1.00 0.00 C ATOM 809 CG LEU A 68 -6.204 -19.781 13.763 1.00 0.00 C ATOM 810 CD1 LEU A 68 -6.482 -20.106 15.244 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.396 -20.282 12.948 1.00 0.00 C ATOM 0 H LEU A 68 -3.717 -18.110 12.250 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.595 -18.208 11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.270 -17.895 14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.000 -17.785 14.006 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.288 -20.252 13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.571 -21.185 15.369 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.661 -19.736 15.858 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.411 -19.627 15.553 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.472 -21.365 13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.311 -19.820 13.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.256 -20.019 11.899 1.00 0.00 H new ATOM 823 N PHE A 69 -6.700 -15.863 11.127 1.00 0.00 N ATOM 824 CA PHE A 69 -7.014 -14.415 11.020 1.00 0.00 C ATOM 825 C PHE A 69 -8.138 -13.995 11.973 1.00 0.00 C ATOM 826 O PHE A 69 -9.335 -14.194 11.799 1.00 0.00 O ATOM 827 CB PHE A 69 -7.293 -14.187 9.482 1.00 0.00 C ATOM 828 CG PHE A 69 -5.873 -14.024 9.097 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.382 -12.814 9.439 1.00 0.00 C ATOM 830 CD2 PHE A 69 -5.079 -14.967 8.518 1.00 0.00 C ATOM 831 CE1 PHE A 69 -4.098 -12.516 9.222 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.778 -14.667 8.301 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.282 -13.453 8.639 1.00 0.00 C ATOM 0 H PHE A 69 -7.110 -16.454 10.403 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.200 -13.767 11.346 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.780 -15.033 8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.903 -13.308 9.276 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.033 -12.081 9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.478 -15.931 8.239 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.707 -11.549 9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.128 -15.404 7.853 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.244 -13.222 8.450 1.00 0.00 H new ATOM 843 N VAL A 70 -7.607 -13.379 12.999 1.00 0.00 N ATOM 844 CA VAL A 70 -8.507 -12.947 14.123 1.00 0.00 C ATOM 845 C VAL A 70 -8.687 -11.435 14.095 1.00 0.00 C ATOM 846 O VAL A 70 -8.045 -10.747 13.333 1.00 0.00 O ATOM 847 CB VAL A 70 -7.899 -13.386 15.505 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.403 -14.830 15.510 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.681 -12.579 15.926 1.00 0.00 C ATOM 0 H VAL A 70 -6.617 -13.159 13.111 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.479 -13.425 13.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.737 -13.232 16.184 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.995 -15.071 16.492 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.233 -15.501 15.287 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.626 -14.951 14.755 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.320 -12.941 16.888 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.895 -12.689 15.178 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.954 -11.527 16.013 1.00 0.00 H new ATOM 859 N ASP A 71 -9.526 -10.888 14.918 1.00 0.00 N ATOM 860 CA ASP A 71 -9.717 -9.415 14.829 1.00 0.00 C ATOM 861 C ASP A 71 -8.927 -8.678 15.887 1.00 0.00 C ATOM 862 O ASP A 71 -7.795 -8.971 16.234 1.00 0.00 O ATOM 863 CB ASP A 71 -11.241 -9.124 14.952 1.00 0.00 C ATOM 864 CG ASP A 71 -11.857 -9.443 16.311 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.169 -10.087 17.085 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.984 -9.003 16.464 1.00 0.00 O ATOM 0 H ASP A 71 -10.074 -11.374 15.628 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.342 -9.055 13.871 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.412 -8.070 14.732 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.767 -9.698 14.189 1.00 0.00 H new ATOM 871 N LYS A 72 -9.577 -7.673 16.362 1.00 0.00 N ATOM 872 CA LYS A 72 -8.956 -6.866 17.453 1.00 0.00 C ATOM 873 C LYS A 72 -9.381 -7.258 18.873 1.00 0.00 C ATOM 874 O LYS A 72 -9.081 -6.625 19.863 1.00 0.00 O ATOM 875 CB LYS A 72 -9.240 -5.405 17.095 1.00 0.00 C ATOM 876 CG LYS A 72 -8.249 -4.455 17.846 1.00 0.00 C ATOM 877 CD LYS A 72 -6.760 -4.431 17.272 1.00 0.00 C ATOM 878 CE LYS A 72 -5.937 -5.754 17.397 1.00 0.00 C ATOM 879 NZ LYS A 72 -6.236 -6.659 16.232 1.00 0.00 N ATOM 0 H LYS A 72 -10.501 -7.368 16.055 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.884 -7.059 17.500 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.144 -5.263 16.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.267 -5.152 17.360 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.649 -3.442 17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.212 -4.751 18.894 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.806 -4.158 16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.211 -3.640 17.783 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.871 -5.527 17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.183 -6.258 18.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.534 -7.591 16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.998 -6.246 15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.382 -6.766 15.648 1.00 0.00 H new ATOM 893 N LEU A 73 -10.072 -8.341 18.866 1.00 0.00 N ATOM 894 CA LEU A 73 -10.631 -9.059 20.047 1.00 0.00 C ATOM 895 C LEU A 73 -10.361 -10.569 19.879 1.00 0.00 C ATOM 896 O LEU A 73 -11.220 -11.371 20.179 1.00 0.00 O ATOM 897 CB LEU A 73 -12.116 -8.755 20.044 1.00 0.00 C ATOM 898 CG LEU A 73 -12.328 -7.277 20.297 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.773 -6.903 19.941 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.143 -7.030 21.815 1.00 0.00 C ATOM 0 H LEU A 73 -10.300 -8.815 17.992 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.182 -8.749 20.991 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.554 -9.038 19.087 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.620 -9.342 20.811 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.629 -6.690 19.702 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.929 -5.839 20.122 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.957 -7.123 18.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.461 -7.481 20.558 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.289 -5.972 22.032 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.873 -7.619 22.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.137 -7.325 22.112 1.00 0.00 H new ATOM 912 N ASP A 74 -9.184 -10.875 19.387 1.00 0.00 N ATOM 913 CA ASP A 74 -8.713 -12.247 19.153 1.00 0.00 C ATOM 914 C ASP A 74 -9.784 -13.261 18.758 1.00 0.00 C ATOM 915 O ASP A 74 -9.623 -14.434 19.005 1.00 0.00 O ATOM 916 CB ASP A 74 -7.931 -12.555 20.463 1.00 0.00 C ATOM 917 CG ASP A 74 -8.791 -13.048 21.633 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.455 -12.208 22.209 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.729 -14.245 21.885 1.00 0.00 O ATOM 0 H ASP A 74 -8.498 -10.167 19.126 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.090 -12.333 18.263 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.173 -13.308 20.247 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.404 -11.653 20.774 1.00 0.00 H new ATOM 924 N ASN A 75 -10.821 -12.777 18.133 1.00 0.00 N ATOM 925 CA ASN A 75 -11.926 -13.643 17.671 1.00 0.00 C ATOM 926 C ASN A 75 -11.773 -13.782 16.181 1.00 0.00 C ATOM 927 O ASN A 75 -11.336 -12.910 15.455 1.00 0.00 O ATOM 928 CB ASN A 75 -13.285 -13.004 18.017 1.00 0.00 C ATOM 929 CG ASN A 75 -13.574 -13.161 19.482 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.604 -14.227 20.052 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.802 -12.082 20.127 1.00 0.00 N ATOM 0 H ASN A 75 -10.946 -11.787 17.920 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.891 -14.618 18.158 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.276 -11.947 17.752 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.075 -13.473 17.431 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.010 -12.119 21.125 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.776 -11.184 19.644 1.00 0.00 H new ATOM 938 N ILE A 76 -12.165 -14.941 15.787 1.00 0.00 N ATOM 939 CA ILE A 76 -12.092 -15.386 14.399 1.00 0.00 C ATOM 940 C ILE A 76 -13.152 -14.841 13.527 1.00 0.00 C ATOM 941 O ILE A 76 -14.276 -15.286 13.365 1.00 0.00 O ATOM 942 CB ILE A 76 -12.074 -16.870 14.446 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.794 -17.004 15.310 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.902 -17.390 12.973 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.371 -18.340 15.327 1.00 0.00 C ATOM 0 H ILE A 76 -12.558 -15.639 16.418 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.188 -14.997 13.930 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.937 -17.414 14.831 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.005 -16.368 14.909 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.992 -16.663 16.326 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.885 -18.480 12.972 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.735 -17.039 12.364 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.967 -17.012 12.561 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.471 -18.429 15.936 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.158 -18.965 15.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.155 -18.666 14.310 1.00 0.00 H new ATOM 957 N ALA A 77 -12.542 -13.826 13.018 1.00 0.00 N ATOM 958 CA ALA A 77 -13.064 -12.893 12.052 1.00 0.00 C ATOM 959 C ALA A 77 -13.092 -13.740 10.750 1.00 0.00 C ATOM 960 O ALA A 77 -14.056 -13.759 10.013 1.00 0.00 O ATOM 961 CB ALA A 77 -12.003 -11.794 12.351 1.00 0.00 C ATOM 0 H ALA A 77 -11.583 -13.600 13.283 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.049 -12.426 12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.186 -10.929 11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.073 -11.495 13.397 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.006 -12.187 12.152 1.00 0.00 H new ATOM 967 N GLN A 78 -12.011 -14.434 10.532 1.00 0.00 N ATOM 968 CA GLN A 78 -11.886 -15.320 9.329 1.00 0.00 C ATOM 969 C GLN A 78 -11.669 -16.848 9.545 1.00 0.00 C ATOM 970 O GLN A 78 -10.869 -17.287 10.343 1.00 0.00 O ATOM 971 CB GLN A 78 -10.735 -14.790 8.469 1.00 0.00 C ATOM 972 CG GLN A 78 -11.066 -13.380 7.864 1.00 0.00 C ATOM 973 CD GLN A 78 -9.976 -12.903 6.896 1.00 0.00 C ATOM 974 OE1 GLN A 78 -10.054 -11.860 6.286 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.922 -13.626 6.702 1.00 0.00 N ATOM 0 H GLN A 78 -11.194 -14.428 11.142 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.871 -15.267 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.830 -14.724 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.529 -15.493 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -12.022 -13.424 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.177 -12.656 8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.814 -14.513 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.198 -13.310 6.056 1.00 0.00 H new ATOM 984 N VAL A 79 -12.413 -17.594 8.781 1.00 0.00 N ATOM 985 CA VAL A 79 -12.331 -19.108 8.696 1.00 0.00 C ATOM 986 C VAL A 79 -10.987 -19.931 8.646 1.00 0.00 C ATOM 987 O VAL A 79 -10.715 -20.801 9.448 1.00 0.00 O ATOM 988 CB VAL A 79 -13.146 -19.579 7.428 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.975 -21.070 7.259 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.564 -19.231 7.430 1.00 0.00 C ATOM 0 H VAL A 79 -13.126 -17.202 8.166 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.694 -19.335 9.698 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.729 -19.030 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.535 -21.404 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.919 -21.302 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.348 -21.582 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.030 -19.600 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.049 -19.685 8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.673 -18.148 7.481 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.208 -19.564 7.656 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.992 -20.196 7.100 1.00 0.00 C ATOM 1002 C PRO A 80 -8.404 -21.536 7.453 1.00 0.00 C ATOM 1003 O PRO A 80 -9.141 -22.409 7.846 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.052 -18.993 7.250 1.00 0.00 C ATOM 1005 CG PRO A 80 -8.990 -17.819 6.712 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.446 -18.402 6.817 1.00 0.00 C ATOM 0 HA PRO A 80 -9.239 -20.635 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.743 -18.835 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.143 -19.101 6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.880 -16.916 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.742 -17.552 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.142 -17.698 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.856 -18.671 5.843 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.133 -21.716 7.315 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.628 -23.093 7.177 1.00 0.00 C ATOM 1016 C ARG A 81 -5.209 -23.321 7.579 1.00 0.00 C ATOM 1017 O ARG A 81 -4.555 -22.450 8.110 1.00 0.00 O ATOM 1018 CB ARG A 81 -6.837 -23.470 5.682 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.481 -22.241 4.848 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.023 -22.607 3.428 1.00 0.00 C ATOM 1021 NE ARG A 81 -4.530 -22.767 3.518 1.00 0.00 N ATOM 1022 CZ ARG A 81 -3.723 -22.122 2.771 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -3.683 -20.869 2.928 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.035 -22.781 1.938 1.00 0.00 N ATOM 0 H ARG A 81 -6.429 -20.979 7.292 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.181 -23.723 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.207 -24.316 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.869 -23.770 5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.348 -21.583 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.690 -21.682 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.497 -23.528 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.292 -21.827 2.715 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.148 -23.418 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.279 -20.423 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.055 -20.303 2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.137 -23.794 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.379 -22.299 1.324 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.801 -24.518 7.298 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.395 -24.886 7.535 1.00 0.00 C ATOM 1040 C VAL A 82 -2.536 -24.397 6.356 1.00 0.00 C ATOM 1041 O VAL A 82 -2.994 -24.325 5.223 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.282 -26.402 7.660 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.909 -26.572 8.259 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.196 -26.956 8.728 1.00 0.00 C ATOM 0 H VAL A 82 -5.387 -25.259 6.912 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.044 -24.422 8.456 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.498 -26.882 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.703 -27.633 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.164 -26.144 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.866 -26.062 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.081 -28.039 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.938 -26.517 9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.230 -26.713 8.484 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.316 -24.076 6.726 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.248 -23.629 5.771 1.00 0.00 C ATOM 1056 C GLY A 83 0.456 -22.313 6.169 1.00 0.00 C ATOM 1057 O GLY A 83 0.234 -21.732 7.219 1.00 0.00 O ATOM 1058 OXT GLY A 83 1.256 -21.859 5.378 1.00 0.00 O ATOM 0 H GLY A 83 -1.005 -24.108 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.501 -24.417 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.691 -23.505 4.783 1.00 0.00 H new