USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=10 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+ -131:sc= 2.19 (180deg=-1.07) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.01 K(o=3.2,f=-8.2!) USER MOD Single : A 21 LYS NZ :NH3+ 137:sc= 0.228 (180deg=-3.01!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -0.364 (180deg=-5.53!) USER MOD Single : A 31 SER OG : rot 149:sc= 0.465 USER MOD Single : A 36 LYS NZ :NH3+ -96:sc= 1.23 (180deg=-0.47) USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= -3.26! (180deg=-4.59!) USER MOD Single : A 47 GLN : amide:sc= 0.852 K(o=0.85,f=-14!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.2!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -10.228 -32.897 7.181 1.00 0.00 N ATOM 20 CA LYS A 21 -10.087 -31.836 8.203 1.00 0.00 C ATOM 21 C LYS A 21 -8.770 -31.044 8.283 1.00 0.00 C ATOM 22 O LYS A 21 -7.898 -31.218 9.118 1.00 0.00 O ATOM 23 CB LYS A 21 -10.408 -32.483 9.579 1.00 0.00 C ATOM 24 CG LYS A 21 -11.467 -31.605 10.286 1.00 0.00 C ATOM 25 CD LYS A 21 -10.922 -30.149 10.428 1.00 0.00 C ATOM 26 CE LYS A 21 -11.912 -29.317 11.210 1.00 0.00 C ATOM 27 NZ LYS A 21 -13.041 -28.993 10.298 1.00 0.00 N ATOM 0 HA LYS A 21 -10.784 -31.058 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.783 -33.498 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.506 -32.554 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.395 -31.604 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.699 -32.016 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.957 -30.158 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.761 -29.712 9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.269 -29.865 12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.441 -28.405 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.941 -29.110 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.952 -28.010 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.020 -29.633 9.478 1.00 0.00 H new ATOM 41 N THR A 22 -8.684 -30.166 7.334 1.00 0.00 N ATOM 42 CA THR A 22 -7.543 -29.206 7.275 1.00 0.00 C ATOM 43 C THR A 22 -8.143 -27.809 7.257 1.00 0.00 C ATOM 44 O THR A 22 -7.470 -26.862 6.915 1.00 0.00 O ATOM 45 CB THR A 22 -6.677 -29.472 6.005 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.569 -29.880 4.987 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.807 -30.714 6.192 1.00 0.00 C ATOM 0 H THR A 22 -9.364 -30.066 6.581 1.00 0.00 H new ATOM 0 HA THR A 22 -6.883 -29.321 8.135 1.00 0.00 H new ATOM 0 HB THR A 22 -6.086 -28.580 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.067 -30.058 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.212 -30.880 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.144 -30.569 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.444 -31.581 6.371 1.00 0.00 H new ATOM 55 N GLU A 23 -9.402 -27.705 7.627 1.00 0.00 N ATOM 56 CA GLU A 23 -10.081 -26.357 7.757 1.00 0.00 C ATOM 57 C GLU A 23 -10.897 -26.199 9.064 1.00 0.00 C ATOM 58 O GLU A 23 -11.392 -27.181 9.576 1.00 0.00 O ATOM 59 CB GLU A 23 -11.015 -26.125 6.529 1.00 0.00 C ATOM 60 CG GLU A 23 -12.233 -27.145 6.279 1.00 0.00 C ATOM 61 CD GLU A 23 -12.610 -28.117 7.403 1.00 0.00 C ATOM 62 OE1 GLU A 23 -11.868 -29.065 7.599 1.00 0.00 O ATOM 63 OE2 GLU A 23 -13.631 -27.877 8.030 1.00 0.00 O ATOM 0 H GLU A 23 -9.999 -28.502 7.848 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.289 -25.609 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.436 -25.124 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.392 -26.129 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.117 -26.554 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.995 -27.736 5.394 1.00 0.00 H new ATOM 70 N TRP A 24 -11.040 -25.013 9.609 1.00 0.00 N ATOM 71 CA TRP A 24 -11.872 -24.910 10.861 1.00 0.00 C ATOM 72 C TRP A 24 -12.896 -23.787 10.892 1.00 0.00 C ATOM 73 O TRP A 24 -12.738 -22.775 11.548 1.00 0.00 O ATOM 74 CB TRP A 24 -10.920 -24.805 12.074 1.00 0.00 C ATOM 75 CG TRP A 24 -10.194 -26.085 12.321 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.684 -26.916 13.256 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.073 -26.573 11.778 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.818 -27.907 13.251 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.823 -27.775 12.400 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.220 -26.120 10.789 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.750 -28.531 12.081 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.127 -26.888 10.456 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.894 -28.089 11.104 1.00 0.00 C ATOM 0 H TRP A 24 -10.637 -24.142 9.262 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.478 -25.815 10.892 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.199 -24.006 11.902 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.491 -24.534 12.962 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.570 -26.800 13.862 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.911 -28.718 13.862 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.407 -25.182 10.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.569 -29.468 12.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.448 -26.552 9.686 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.032 -28.683 10.838 1.00 0.00 H new ATOM 94 N PRO A 25 -13.944 -24.015 10.146 1.00 0.00 N ATOM 95 CA PRO A 25 -15.097 -23.092 10.085 1.00 0.00 C ATOM 96 C PRO A 25 -15.942 -23.196 11.375 1.00 0.00 C ATOM 97 O PRO A 25 -16.492 -22.220 11.853 1.00 0.00 O ATOM 98 CB PRO A 25 -15.776 -23.538 8.805 1.00 0.00 C ATOM 99 CG PRO A 25 -15.576 -25.050 8.797 1.00 0.00 C ATOM 100 CD PRO A 25 -14.123 -25.198 9.248 1.00 0.00 C ATOM 0 HA PRO A 25 -14.865 -22.027 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.834 -23.274 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.326 -23.070 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.264 -25.553 9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.738 -25.475 7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.955 -26.137 9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.432 -25.177 8.405 1.00 0.00 H new ATOM 108 N GLU A 26 -16.011 -24.382 11.934 1.00 0.00 N ATOM 109 CA GLU A 26 -16.815 -24.625 13.177 1.00 0.00 C ATOM 110 C GLU A 26 -16.489 -23.545 14.236 1.00 0.00 C ATOM 111 O GLU A 26 -17.298 -23.066 15.011 1.00 0.00 O ATOM 112 CB GLU A 26 -16.453 -26.035 13.692 1.00 0.00 C ATOM 113 CG GLU A 26 -16.689 -27.140 12.593 1.00 0.00 C ATOM 114 CD GLU A 26 -15.384 -27.712 12.002 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.459 -26.931 11.836 1.00 0.00 O ATOM 116 OE2 GLU A 26 -15.359 -28.904 11.732 1.00 0.00 O ATOM 0 H GLU A 26 -15.534 -25.209 11.574 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.884 -24.567 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.409 -26.051 14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.053 -26.265 14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.269 -27.954 13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.288 -26.717 11.787 1.00 0.00 H new ATOM 123 N LEU A 27 -15.240 -23.162 14.212 1.00 0.00 N ATOM 124 CA LEU A 27 -14.709 -22.193 15.182 1.00 0.00 C ATOM 125 C LEU A 27 -14.600 -20.747 14.734 1.00 0.00 C ATOM 126 O LEU A 27 -13.844 -19.979 15.291 1.00 0.00 O ATOM 127 CB LEU A 27 -13.376 -22.825 15.631 1.00 0.00 C ATOM 128 CG LEU A 27 -12.285 -23.248 14.668 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.259 -22.149 14.358 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.542 -24.351 15.414 1.00 0.00 C ATOM 0 H LEU A 27 -14.555 -23.498 13.535 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.417 -22.050 15.999 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.918 -22.117 16.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.636 -23.712 16.209 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.735 -23.528 13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.513 -22.533 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.766 -21.294 13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.768 -21.839 15.281 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.727 -24.725 14.794 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.137 -23.952 16.344 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.230 -25.166 15.638 1.00 0.00 H new ATOM 142 N VAL A 28 -15.381 -20.385 13.753 1.00 0.00 N ATOM 143 CA VAL A 28 -15.399 -18.936 13.355 1.00 0.00 C ATOM 144 C VAL A 28 -16.171 -18.184 14.471 1.00 0.00 C ATOM 145 O VAL A 28 -16.863 -18.793 15.274 1.00 0.00 O ATOM 146 CB VAL A 28 -16.107 -18.816 11.984 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.170 -17.346 11.505 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.257 -19.531 10.949 1.00 0.00 C ATOM 0 H VAL A 28 -15.993 -21.003 13.220 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.401 -18.511 13.251 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.110 -19.228 12.092 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.673 -17.299 10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.722 -16.750 12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.159 -16.952 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.736 -19.460 9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.272 -19.067 10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.152 -20.580 11.226 1.00 0.00 H new ATOM 158 N GLY A 29 -16.029 -16.887 14.513 1.00 0.00 N ATOM 159 CA GLY A 29 -16.732 -16.065 15.569 1.00 0.00 C ATOM 160 C GLY A 29 -16.277 -16.376 17.011 1.00 0.00 C ATOM 161 O GLY A 29 -16.966 -16.037 17.949 1.00 0.00 O ATOM 0 H GLY A 29 -15.456 -16.349 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.562 -15.008 15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.806 -16.236 15.493 1.00 0.00 H new ATOM 165 N LYS A 30 -15.145 -17.016 17.125 1.00 0.00 N ATOM 166 CA LYS A 30 -14.500 -17.388 18.436 1.00 0.00 C ATOM 167 C LYS A 30 -13.042 -16.955 18.428 1.00 0.00 C ATOM 168 O LYS A 30 -12.559 -16.702 17.349 1.00 0.00 O ATOM 169 CB LYS A 30 -14.511 -18.880 18.606 1.00 0.00 C ATOM 170 CG LYS A 30 -15.962 -19.364 18.561 1.00 0.00 C ATOM 171 CD LYS A 30 -15.951 -20.902 18.585 1.00 0.00 C ATOM 172 CE LYS A 30 -17.280 -21.411 18.087 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.451 -20.901 16.686 1.00 0.00 N ATOM 0 H LYS A 30 -14.603 -17.317 16.315 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.052 -16.900 19.239 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.929 -19.355 17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.049 -19.157 19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.520 -18.974 19.412 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.457 -19.000 17.661 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.144 -21.282 17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.766 -21.261 19.597 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.307 -22.500 18.106 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.091 -21.061 18.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.323 -20.338 16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.637 -20.307 16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.512 -21.705 16.029 1.00 0.00 H new ATOM 187 N SER A 31 -12.409 -16.897 19.564 1.00 0.00 N ATOM 188 CA SER A 31 -10.961 -16.520 19.641 1.00 0.00 C ATOM 189 C SER A 31 -10.037 -17.664 19.509 1.00 0.00 C ATOM 190 O SER A 31 -10.302 -18.835 19.700 1.00 0.00 O ATOM 191 CB SER A 31 -10.739 -15.754 20.986 1.00 0.00 C ATOM 192 OG SER A 31 -11.476 -16.524 21.942 1.00 0.00 O ATOM 0 H SER A 31 -12.840 -17.099 20.466 1.00 0.00 H new ATOM 0 HA SER A 31 -10.725 -15.884 18.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.682 -15.699 21.246 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.106 -14.729 20.928 1.00 0.00 H new ATOM 0 HG SER A 31 -11.042 -16.460 22.818 1.00 0.00 H new ATOM 198 N VAL A 32 -8.900 -17.174 19.128 1.00 0.00 N ATOM 199 CA VAL A 32 -7.764 -18.041 18.830 1.00 0.00 C ATOM 200 C VAL A 32 -7.479 -19.136 19.903 1.00 0.00 C ATOM 201 O VAL A 32 -6.942 -20.182 19.598 1.00 0.00 O ATOM 202 CB VAL A 32 -6.583 -17.069 18.610 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.630 -17.043 19.842 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.730 -17.436 17.362 1.00 0.00 C ATOM 0 H VAL A 32 -8.716 -16.178 19.011 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.962 -18.652 17.950 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.040 -16.091 18.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.811 -16.349 19.654 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.184 -16.720 20.724 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.228 -18.042 20.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.915 -16.720 17.255 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.320 -18.438 17.484 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.357 -17.407 16.471 1.00 0.00 H new ATOM 214 N GLU A 33 -7.843 -18.850 21.134 1.00 0.00 N ATOM 215 CA GLU A 33 -7.636 -19.821 22.271 1.00 0.00 C ATOM 216 C GLU A 33 -8.525 -21.047 22.061 1.00 0.00 C ATOM 217 O GLU A 33 -8.113 -22.189 22.058 1.00 0.00 O ATOM 218 CB GLU A 33 -7.983 -19.086 23.627 1.00 0.00 C ATOM 219 CG GLU A 33 -9.534 -18.803 23.737 1.00 0.00 C ATOM 220 CD GLU A 33 -9.987 -18.065 24.991 1.00 0.00 C ATOM 221 OE1 GLU A 33 -9.659 -18.554 26.060 1.00 0.00 O ATOM 222 OE2 GLU A 33 -10.647 -17.065 24.739 1.00 0.00 O ATOM 0 H GLU A 33 -8.282 -17.971 21.407 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.600 -20.159 22.307 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.661 -19.698 24.469 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.433 -18.147 23.687 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.841 -18.223 22.866 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.062 -19.755 23.688 1.00 0.00 H new ATOM 229 N GLU A 34 -9.759 -20.733 21.857 1.00 0.00 N ATOM 230 CA GLU A 34 -10.821 -21.733 21.619 1.00 0.00 C ATOM 231 C GLU A 34 -10.392 -22.420 20.324 1.00 0.00 C ATOM 232 O GLU A 34 -10.305 -23.630 20.223 1.00 0.00 O ATOM 233 CB GLU A 34 -12.123 -20.915 21.538 1.00 0.00 C ATOM 234 CG GLU A 34 -13.349 -21.812 21.213 1.00 0.00 C ATOM 235 CD GLU A 34 -13.387 -22.345 19.779 1.00 0.00 C ATOM 236 OE1 GLU A 34 -12.779 -21.761 18.895 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.068 -23.339 19.654 1.00 0.00 O ATOM 0 H GLU A 34 -10.094 -19.770 21.845 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.978 -22.505 22.372 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.289 -20.402 22.485 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.022 -20.146 20.772 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.356 -22.657 21.901 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.259 -21.242 21.399 1.00 0.00 H new ATOM 244 N ALA A 35 -10.111 -21.602 19.340 1.00 0.00 N ATOM 245 CA ALA A 35 -9.662 -22.158 18.042 1.00 0.00 C ATOM 246 C ALA A 35 -8.523 -23.137 18.288 1.00 0.00 C ATOM 247 O ALA A 35 -8.566 -24.238 17.795 1.00 0.00 O ATOM 248 CB ALA A 35 -9.197 -21.034 17.145 1.00 0.00 C ATOM 0 H ALA A 35 -10.174 -20.585 19.385 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.487 -22.679 17.556 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.867 -21.443 16.190 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.019 -20.339 16.977 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.369 -20.508 17.620 1.00 0.00 H new ATOM 254 N LYS A 36 -7.528 -22.756 19.056 1.00 0.00 N ATOM 255 CA LYS A 36 -6.398 -23.687 19.312 1.00 0.00 C ATOM 256 C LYS A 36 -7.010 -24.931 19.928 1.00 0.00 C ATOM 257 O LYS A 36 -6.847 -26.043 19.488 1.00 0.00 O ATOM 258 CB LYS A 36 -5.382 -23.071 20.309 1.00 0.00 C ATOM 259 CG LYS A 36 -4.337 -22.105 19.671 1.00 0.00 C ATOM 260 CD LYS A 36 -3.586 -21.383 20.845 1.00 0.00 C ATOM 261 CE LYS A 36 -2.325 -20.608 20.382 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.096 -21.419 20.679 1.00 0.00 N ATOM 0 H LYS A 36 -7.456 -21.846 19.511 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.862 -23.902 18.388 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.933 -22.530 21.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.849 -23.880 20.808 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.634 -22.658 19.048 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.830 -21.378 19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.271 -20.690 21.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.296 -22.123 21.591 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.386 -20.400 19.314 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.270 -19.646 20.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.689 -21.113 21.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.350 -22.426 20.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.397 -21.280 19.921 1.00 0.00 H new ATOM 276 N LYS A 37 -7.749 -24.683 20.954 1.00 0.00 N ATOM 277 CA LYS A 37 -8.406 -25.776 21.731 1.00 0.00 C ATOM 278 C LYS A 37 -9.143 -26.805 20.886 1.00 0.00 C ATOM 279 O LYS A 37 -9.203 -27.978 21.215 1.00 0.00 O ATOM 280 CB LYS A 37 -9.383 -25.118 22.734 1.00 0.00 C ATOM 281 CG LYS A 37 -10.365 -26.112 23.418 1.00 0.00 C ATOM 282 CD LYS A 37 -11.616 -26.394 22.488 1.00 0.00 C ATOM 283 CE LYS A 37 -12.331 -27.651 22.950 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.395 -28.820 22.811 1.00 0.00 N ATOM 0 H LYS A 37 -7.938 -23.744 21.306 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.617 -26.338 22.230 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.805 -24.608 23.505 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.961 -24.355 22.213 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.850 -27.047 23.636 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.699 -25.702 24.371 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.299 -25.545 22.516 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.292 -26.509 21.453 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.650 -27.544 23.987 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.230 -27.814 22.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.880 -29.596 22.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.558 -28.532 22.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.099 -29.142 23.755 1.00 0.00 H new ATOM 298 N VAL A 38 -9.719 -26.286 19.849 1.00 0.00 N ATOM 299 CA VAL A 38 -10.439 -27.146 18.851 1.00 0.00 C ATOM 300 C VAL A 38 -9.497 -27.717 17.795 1.00 0.00 C ATOM 301 O VAL A 38 -9.355 -28.911 17.637 1.00 0.00 O ATOM 302 CB VAL A 38 -11.488 -26.365 18.069 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.180 -27.321 17.055 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.541 -25.705 18.917 1.00 0.00 C ATOM 0 H VAL A 38 -9.728 -25.288 19.637 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.892 -27.935 19.451 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.953 -25.557 17.570 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.933 -26.770 16.491 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.435 -27.724 16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.658 -28.139 17.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.244 -25.173 18.276 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.075 -26.463 19.490 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.068 -25.000 19.601 1.00 0.00 H new ATOM 314 N ILE A 39 -8.866 -26.823 17.103 1.00 0.00 N ATOM 315 CA ILE A 39 -7.965 -27.175 15.979 1.00 0.00 C ATOM 316 C ILE A 39 -7.020 -28.246 16.438 1.00 0.00 C ATOM 317 O ILE A 39 -6.840 -29.247 15.796 1.00 0.00 O ATOM 318 CB ILE A 39 -7.193 -25.949 15.578 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.195 -24.971 14.948 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.222 -26.306 14.477 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.470 -23.744 14.439 1.00 0.00 C ATOM 0 H ILE A 39 -8.940 -25.821 17.277 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.538 -27.538 15.126 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.674 -25.537 16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.724 -25.457 14.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.945 -24.681 15.684 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.661 -25.418 14.185 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.532 -27.070 14.834 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.772 -26.687 13.617 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.188 -23.056 13.994 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.962 -23.252 15.268 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.737 -24.040 13.688 1.00 0.00 H new ATOM 333 N LEU A 40 -6.443 -27.995 17.566 1.00 0.00 N ATOM 334 CA LEU A 40 -5.469 -28.932 18.148 1.00 0.00 C ATOM 335 C LEU A 40 -6.135 -30.211 18.661 1.00 0.00 C ATOM 336 O LEU A 40 -5.490 -31.233 18.777 1.00 0.00 O ATOM 337 CB LEU A 40 -4.769 -28.103 19.212 1.00 0.00 C ATOM 338 CG LEU A 40 -4.176 -26.816 18.550 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.094 -26.294 19.473 1.00 0.00 C ATOM 340 CD2 LEU A 40 -3.567 -27.031 17.167 1.00 0.00 C ATOM 0 H LEU A 40 -6.612 -27.157 18.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.751 -29.323 17.427 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.472 -27.831 20.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.975 -28.685 19.680 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.002 -26.119 18.408 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.654 -25.393 19.045 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.527 -26.059 20.445 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.321 -27.053 19.594 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.182 -26.084 16.788 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.753 -27.752 17.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.331 -27.410 16.488 1.00 0.00 H new ATOM 352 N GLN A 41 -7.401 -30.146 18.960 1.00 0.00 N ATOM 353 CA GLN A 41 -8.107 -31.388 19.404 1.00 0.00 C ATOM 354 C GLN A 41 -8.236 -32.279 18.132 1.00 0.00 C ATOM 355 O GLN A 41 -8.412 -33.477 18.206 1.00 0.00 O ATOM 356 CB GLN A 41 -9.486 -30.978 19.966 1.00 0.00 C ATOM 357 CG GLN A 41 -10.248 -32.228 20.479 1.00 0.00 C ATOM 358 CD GLN A 41 -11.723 -31.896 20.618 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.135 -31.103 21.443 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.561 -32.470 19.818 1.00 0.00 N ATOM 0 H GLN A 41 -7.974 -29.303 18.919 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.581 -31.935 20.186 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.358 -30.262 20.778 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.069 -30.480 19.191 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.114 -33.059 19.786 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.843 -32.546 21.440 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.227 -33.137 19.122 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.556 -32.256 19.883 1.00 0.00 H new ATOM 369 N ASP A 42 -8.148 -31.616 17.015 1.00 0.00 N ATOM 370 CA ASP A 42 -8.238 -32.243 15.659 1.00 0.00 C ATOM 371 C ASP A 42 -6.894 -32.597 14.931 1.00 0.00 C ATOM 372 O ASP A 42 -6.565 -33.736 14.655 1.00 0.00 O ATOM 373 CB ASP A 42 -9.076 -31.232 14.895 1.00 0.00 C ATOM 374 CG ASP A 42 -9.521 -31.628 13.530 1.00 0.00 C ATOM 375 OD1 ASP A 42 -9.342 -32.745 13.069 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.044 -30.636 13.066 1.00 0.00 O ATOM 0 H ASP A 42 -8.009 -30.606 16.983 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.664 -33.244 15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.961 -31.005 15.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.503 -30.309 14.812 1.00 0.00 H new ATOM 381 N LYS A 43 -6.136 -31.579 14.646 1.00 0.00 N ATOM 382 CA LYS A 43 -4.866 -31.702 13.859 1.00 0.00 C ATOM 383 C LYS A 43 -3.542 -31.447 14.649 1.00 0.00 C ATOM 384 O LYS A 43 -2.855 -30.474 14.398 1.00 0.00 O ATOM 385 CB LYS A 43 -5.025 -30.709 12.665 1.00 0.00 C ATOM 386 CG LYS A 43 -3.930 -30.915 11.599 1.00 0.00 C ATOM 387 CD LYS A 43 -4.537 -31.723 10.417 1.00 0.00 C ATOM 388 CE LYS A 43 -3.478 -32.027 9.365 1.00 0.00 C ATOM 389 NZ LYS A 43 -2.488 -32.918 10.038 1.00 0.00 N ATOM 0 H LYS A 43 -6.349 -30.625 14.936 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.746 -32.739 13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.006 -30.843 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.983 -29.685 13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.557 -29.953 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.081 -31.449 12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.963 -32.655 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.352 -31.157 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.918 -32.516 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.004 -31.112 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.525 -32.629 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.600 -32.845 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.648 -33.902 9.741 1.00 0.00 H new ATOM 403 N PRO A 44 -3.203 -32.315 15.587 1.00 0.00 N ATOM 404 CA PRO A 44 -1.940 -32.245 16.398 1.00 0.00 C ATOM 405 C PRO A 44 -0.739 -31.389 15.900 1.00 0.00 C ATOM 406 O PRO A 44 -0.164 -30.628 16.655 1.00 0.00 O ATOM 407 CB PRO A 44 -1.632 -33.735 16.572 1.00 0.00 C ATOM 408 CG PRO A 44 -3.044 -34.277 16.939 1.00 0.00 C ATOM 409 CD PRO A 44 -4.006 -33.515 15.982 1.00 0.00 C ATOM 0 HA PRO A 44 -2.102 -31.671 17.310 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.239 -34.186 15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.901 -33.918 17.359 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.107 -35.355 16.792 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.286 -34.083 17.984 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.280 -34.120 15.118 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.934 -33.234 16.481 1.00 0.00 H new ATOM 417 N GLU A 45 -0.401 -31.532 14.643 1.00 0.00 N ATOM 418 CA GLU A 45 0.757 -30.801 14.025 1.00 0.00 C ATOM 419 C GLU A 45 0.626 -29.275 14.103 1.00 0.00 C ATOM 420 O GLU A 45 1.597 -28.554 14.252 1.00 0.00 O ATOM 421 CB GLU A 45 0.860 -31.225 12.558 1.00 0.00 C ATOM 422 CG GLU A 45 0.906 -32.784 12.401 1.00 0.00 C ATOM 423 CD GLU A 45 -0.413 -33.304 11.841 1.00 0.00 C ATOM 424 OE1 GLU A 45 -1.431 -33.006 12.445 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.367 -33.970 10.817 1.00 0.00 O ATOM 0 H GLU A 45 -0.895 -32.146 13.995 1.00 0.00 H new ATOM 0 HA GLU A 45 1.652 -31.064 14.588 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.008 -30.830 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.756 -30.789 12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.725 -33.065 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.105 -33.247 13.368 1.00 0.00 H new ATOM 432 N ALA A 46 -0.610 -28.874 13.982 1.00 0.00 N ATOM 433 CA ALA A 46 -1.020 -27.449 14.018 1.00 0.00 C ATOM 434 C ALA A 46 -0.337 -26.661 15.159 1.00 0.00 C ATOM 435 O ALA A 46 -0.899 -26.408 16.207 1.00 0.00 O ATOM 436 CB ALA A 46 -2.551 -27.465 14.139 1.00 0.00 C ATOM 0 H ALA A 46 -1.391 -29.517 13.853 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.703 -26.924 13.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.924 -26.441 14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.979 -27.980 13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.838 -27.985 15.053 1.00 0.00 H new ATOM 442 N GLN A 47 0.882 -26.267 14.944 1.00 0.00 N ATOM 443 CA GLN A 47 1.667 -25.489 15.959 1.00 0.00 C ATOM 444 C GLN A 47 1.171 -24.024 15.899 1.00 0.00 C ATOM 445 O GLN A 47 1.869 -23.084 15.562 1.00 0.00 O ATOM 446 CB GLN A 47 3.129 -25.674 15.540 1.00 0.00 C ATOM 447 CG GLN A 47 4.114 -25.061 16.566 1.00 0.00 C ATOM 448 CD GLN A 47 5.503 -25.127 15.943 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.827 -24.391 15.036 1.00 0.00 O ATOM 450 NE2 GLN A 47 6.361 -25.980 16.370 1.00 0.00 N ATOM 0 H GLN A 47 1.391 -26.454 14.080 1.00 0.00 H new ATOM 0 HA GLN A 47 1.551 -25.811 16.994 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.341 -26.737 15.426 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.287 -25.211 14.566 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.842 -24.030 16.794 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.086 -25.613 17.505 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.116 -26.612 17.132 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.288 -26.026 15.947 1.00 0.00 H new ATOM 459 N ILE A 48 -0.064 -23.848 16.266 1.00 0.00 N ATOM 460 CA ILE A 48 -0.667 -22.487 16.128 1.00 0.00 C ATOM 461 C ILE A 48 -0.155 -21.401 17.086 1.00 0.00 C ATOM 462 O ILE A 48 0.124 -21.608 18.251 1.00 0.00 O ATOM 463 CB ILE A 48 -2.170 -22.602 16.312 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.822 -23.423 15.159 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.841 -21.180 16.359 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.332 -23.416 15.271 1.00 0.00 C ATOM 0 H ILE A 48 -0.676 -24.568 16.649 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.367 -22.156 15.134 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.335 -23.118 17.258 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.524 -23.005 14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.457 -24.450 15.188 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.917 -21.290 16.491 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.429 -20.611 17.192 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.642 -20.653 15.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.760 -23.996 14.454 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.628 -23.857 16.223 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.696 -22.390 15.217 1.00 0.00 H new ATOM 478 N ILE A 49 -0.078 -20.250 16.478 1.00 0.00 N ATOM 479 CA ILE A 49 0.351 -18.971 17.133 1.00 0.00 C ATOM 480 C ILE A 49 -0.773 -17.946 16.867 1.00 0.00 C ATOM 481 O ILE A 49 -1.861 -18.319 16.463 1.00 0.00 O ATOM 482 CB ILE A 49 1.720 -18.642 16.500 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.798 -19.688 16.901 1.00 0.00 C ATOM 484 CG2 ILE A 49 2.261 -17.206 16.696 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.983 -19.743 18.426 1.00 0.00 C ATOM 0 H ILE A 49 -0.309 -20.135 15.491 1.00 0.00 H new ATOM 0 HA ILE A 49 0.486 -18.996 18.214 1.00 0.00 H new ATOM 0 HB ILE A 49 1.510 -18.699 15.432 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.508 -20.672 16.532 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.746 -19.436 16.426 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.228 -17.111 16.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.561 -16.491 16.264 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.376 -17.003 17.761 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.743 -20.484 18.674 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.297 -18.765 18.790 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.040 -20.020 18.897 1.00 0.00 H new ATOM 497 N VAL A 50 -0.537 -16.690 17.106 1.00 0.00 N ATOM 498 CA VAL A 50 -1.553 -15.632 16.798 1.00 0.00 C ATOM 499 C VAL A 50 -1.176 -14.787 15.537 1.00 0.00 C ATOM 500 O VAL A 50 -0.018 -14.481 15.305 1.00 0.00 O ATOM 501 CB VAL A 50 -1.648 -14.813 18.090 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.273 -14.295 18.580 1.00 0.00 C ATOM 503 CG2 VAL A 50 -2.608 -13.628 17.906 1.00 0.00 C ATOM 0 H VAL A 50 0.331 -16.338 17.509 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.522 -16.049 16.524 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.032 -15.489 18.854 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.406 -13.723 19.498 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.387 -15.141 18.772 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.169 -13.656 17.815 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.663 -13.057 18.833 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.243 -12.985 17.105 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.600 -14.000 17.649 1.00 0.00 H new ATOM 513 N LEU A 51 -2.200 -14.457 14.774 1.00 0.00 N ATOM 514 CA LEU A 51 -2.091 -13.678 13.481 1.00 0.00 C ATOM 515 C LEU A 51 -3.214 -12.597 13.264 1.00 0.00 C ATOM 516 O LEU A 51 -4.319 -12.970 12.908 1.00 0.00 O ATOM 517 CB LEU A 51 -2.140 -14.704 12.294 1.00 0.00 C ATOM 518 CG LEU A 51 -0.935 -14.727 11.318 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.189 -13.375 11.215 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.028 -15.886 11.608 1.00 0.00 C ATOM 0 H LEU A 51 -3.160 -14.710 15.008 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.153 -13.125 13.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.250 -15.703 12.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.040 -14.503 11.713 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.370 -14.901 10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.641 -13.470 10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.876 -12.606 10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.195 -13.096 12.196 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.855 -15.859 10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.417 -15.791 12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.503 -16.833 11.511 1.00 0.00 H new ATOM 532 N PRO A 52 -3.009 -11.309 13.446 1.00 0.00 N ATOM 533 CA PRO A 52 -4.123 -10.334 13.207 1.00 0.00 C ATOM 534 C PRO A 52 -4.394 -10.223 11.683 1.00 0.00 C ATOM 535 O PRO A 52 -3.494 -10.011 10.894 1.00 0.00 O ATOM 536 CB PRO A 52 -3.618 -9.045 13.848 1.00 0.00 C ATOM 537 CG PRO A 52 -2.099 -9.132 13.580 1.00 0.00 C ATOM 538 CD PRO A 52 -1.753 -10.625 13.876 1.00 0.00 C ATOM 0 HA PRO A 52 -5.083 -10.618 13.637 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.063 -8.160 13.393 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.843 -9.003 14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.858 -8.862 12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.539 -8.456 14.227 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.886 -10.966 13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.533 -10.795 14.930 1.00 0.00 H new ATOM 546 N VAL A 53 -5.631 -10.366 11.290 1.00 0.00 N ATOM 547 CA VAL A 53 -6.009 -10.310 9.841 1.00 0.00 C ATOM 548 C VAL A 53 -5.318 -9.230 9.059 1.00 0.00 C ATOM 549 O VAL A 53 -5.266 -8.072 9.421 1.00 0.00 O ATOM 550 CB VAL A 53 -7.527 -10.197 9.792 1.00 0.00 C ATOM 551 CG1 VAL A 53 -7.990 -9.584 8.457 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.048 -11.650 9.809 1.00 0.00 C ATOM 0 H VAL A 53 -6.415 -10.523 11.924 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.667 -11.218 9.344 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.886 -9.580 10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.078 -9.514 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.561 -8.588 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.659 -10.216 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.137 -11.646 9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.660 -12.186 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.715 -12.145 10.721 1.00 0.00 H new ATOM 562 N GLY A 54 -4.799 -9.704 7.963 1.00 0.00 N ATOM 563 CA GLY A 54 -4.009 -8.778 7.081 1.00 0.00 C ATOM 564 C GLY A 54 -2.482 -8.852 7.277 1.00 0.00 C ATOM 565 O GLY A 54 -1.768 -8.448 6.379 1.00 0.00 O ATOM 0 H GLY A 54 -4.879 -10.667 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.240 -9.004 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.337 -7.755 7.265 1.00 0.00 H new ATOM 569 N THR A 55 -2.000 -9.331 8.406 1.00 0.00 N ATOM 570 CA THR A 55 -0.527 -9.405 8.623 1.00 0.00 C ATOM 571 C THR A 55 0.204 -10.245 7.566 1.00 0.00 C ATOM 572 O THR A 55 -0.363 -11.118 6.935 1.00 0.00 O ATOM 573 CB THR A 55 -0.340 -9.931 10.066 1.00 0.00 C ATOM 574 OG1 THR A 55 0.166 -8.825 10.792 1.00 0.00 O ATOM 575 CG2 THR A 55 0.770 -10.878 10.156 1.00 0.00 C ATOM 0 H THR A 55 -2.569 -9.672 9.181 1.00 0.00 H new ATOM 0 HA THR A 55 -0.068 -8.423 8.507 1.00 0.00 H new ATOM 0 HB THR A 55 -1.276 -10.376 10.403 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.309 -9.085 11.726 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.870 -11.225 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.576 -11.729 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.693 -10.387 9.848 1.00 0.00 H new ATOM 583 N ILE A 56 1.471 -9.977 7.398 1.00 0.00 N ATOM 584 CA ILE A 56 2.237 -10.760 6.379 1.00 0.00 C ATOM 585 C ILE A 56 2.702 -12.117 6.923 1.00 0.00 C ATOM 586 O ILE A 56 3.316 -12.224 7.969 1.00 0.00 O ATOM 587 CB ILE A 56 3.482 -9.933 5.906 1.00 0.00 C ATOM 588 CG1 ILE A 56 3.068 -8.739 5.004 1.00 0.00 C ATOM 589 CG2 ILE A 56 4.528 -10.820 5.157 1.00 0.00 C ATOM 590 CD1 ILE A 56 2.283 -9.190 3.730 1.00 0.00 C ATOM 0 H ILE A 56 2.000 -9.269 7.907 1.00 0.00 H new ATOM 0 HA ILE A 56 1.568 -10.950 5.540 1.00 0.00 H new ATOM 0 HB ILE A 56 3.949 -9.544 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.451 -8.050 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.960 -8.191 4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.373 -10.204 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.878 -11.609 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.064 -11.266 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.019 -8.315 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.907 -9.857 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.375 -9.713 4.029 1.00 0.00 H new ATOM 602 N VAL A 57 2.355 -13.114 6.152 1.00 0.00 N ATOM 603 CA VAL A 57 2.763 -14.535 6.423 1.00 0.00 C ATOM 604 C VAL A 57 3.341 -15.164 5.126 1.00 0.00 C ATOM 605 O VAL A 57 3.873 -14.448 4.299 1.00 0.00 O ATOM 606 CB VAL A 57 1.496 -15.362 7.001 1.00 0.00 C ATOM 607 CG1 VAL A 57 1.203 -14.698 8.346 1.00 0.00 C ATOM 608 CG2 VAL A 57 0.167 -15.320 6.167 1.00 0.00 C ATOM 0 H VAL A 57 1.785 -13.002 5.314 1.00 0.00 H new ATOM 0 HA VAL A 57 3.546 -14.569 7.180 1.00 0.00 H new ATOM 0 HB VAL A 57 1.774 -16.416 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.354 -15.192 8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.077 -14.782 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.969 -13.645 8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.596 -15.915 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.176 -14.289 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.349 -15.727 5.172 1.00 0.00 H new ATOM 618 N THR A 58 3.242 -16.461 4.979 1.00 0.00 N ATOM 619 CA THR A 58 3.768 -17.223 3.806 1.00 0.00 C ATOM 620 C THR A 58 2.818 -17.375 2.562 1.00 0.00 C ATOM 621 O THR A 58 1.936 -16.557 2.389 1.00 0.00 O ATOM 622 CB THR A 58 4.207 -18.583 4.408 1.00 0.00 C ATOM 623 OG1 THR A 58 4.036 -18.582 5.827 1.00 0.00 O ATOM 624 CG2 THR A 58 5.711 -18.841 4.219 1.00 0.00 C ATOM 0 H THR A 58 2.788 -17.057 5.671 1.00 0.00 H new ATOM 0 HA THR A 58 4.581 -16.663 3.344 1.00 0.00 H new ATOM 0 HB THR A 58 3.600 -19.332 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.316 -19.448 6.191 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.973 -19.805 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.948 -18.849 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.280 -18.053 4.712 1.00 0.00 H new ATOM 632 N MET A 59 3.028 -18.400 1.761 1.00 0.00 N ATOM 633 CA MET A 59 2.223 -18.691 0.499 1.00 0.00 C ATOM 634 C MET A 59 0.699 -18.869 0.715 1.00 0.00 C ATOM 635 O MET A 59 0.083 -18.288 1.584 1.00 0.00 O ATOM 636 CB MET A 59 2.861 -19.979 -0.146 1.00 0.00 C ATOM 637 CG MET A 59 4.398 -19.812 -0.357 1.00 0.00 C ATOM 638 SD MET A 59 5.229 -21.061 -1.372 1.00 0.00 S ATOM 639 CE MET A 59 4.898 -20.338 -3.001 1.00 0.00 C ATOM 0 H MET A 59 3.762 -19.087 1.933 1.00 0.00 H new ATOM 0 HA MET A 59 2.282 -17.821 -0.155 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.672 -20.840 0.495 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.381 -20.183 -1.103 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.574 -18.836 -0.809 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.875 -19.800 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.335 -20.969 -3.775 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.821 -20.268 -3.156 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.338 -19.342 -3.053 1.00 0.00 H new ATOM 649 N GLU A 60 0.072 -19.660 -0.098 1.00 0.00 N ATOM 650 CA GLU A 60 -1.372 -19.957 0.101 1.00 0.00 C ATOM 651 C GLU A 60 -1.712 -21.049 1.152 1.00 0.00 C ATOM 652 O GLU A 60 -2.792 -21.193 1.690 1.00 0.00 O ATOM 653 CB GLU A 60 -1.859 -20.270 -1.300 1.00 0.00 C ATOM 654 CG GLU A 60 -0.961 -21.221 -2.149 1.00 0.00 C ATOM 655 CD GLU A 60 -0.671 -22.490 -1.370 1.00 0.00 C ATOM 656 OE1 GLU A 60 -1.613 -23.221 -1.077 1.00 0.00 O ATOM 657 OE2 GLU A 60 0.516 -22.615 -1.109 1.00 0.00 O ATOM 0 H GLU A 60 0.499 -20.120 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.886 -19.110 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.852 -20.714 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.969 -19.330 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.460 -21.466 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.027 -20.720 -2.406 1.00 0.00 H new ATOM 664 N TYR A 61 -0.676 -21.761 1.377 1.00 0.00 N ATOM 665 CA TYR A 61 -0.537 -22.907 2.344 1.00 0.00 C ATOM 666 C TYR A 61 0.514 -22.475 3.399 1.00 0.00 C ATOM 667 O TYR A 61 1.691 -22.406 3.119 1.00 0.00 O ATOM 668 CB TYR A 61 -0.052 -24.174 1.581 1.00 0.00 C ATOM 669 CG TYR A 61 -0.753 -25.430 2.058 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.711 -25.678 3.384 1.00 0.00 C ATOM 671 CD2 TYR A 61 -1.407 -26.304 1.222 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.311 -26.788 3.917 1.00 0.00 C ATOM 673 CE2 TYR A 61 -2.016 -27.432 1.749 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.967 -27.675 3.107 1.00 0.00 C ATOM 675 OH TYR A 61 -2.573 -28.783 3.646 1.00 0.00 O ATOM 0 H TYR A 61 0.196 -21.587 0.877 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.487 -23.146 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.229 -24.044 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.024 -24.287 1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.195 -24.989 4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.446 -26.112 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.266 -26.964 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.530 -28.122 1.096 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.994 -29.306 2.932 1.00 0.00 H new ATOM 685 N ARG A 62 0.070 -22.182 4.580 1.00 0.00 N ATOM 686 CA ARG A 62 0.961 -21.763 5.728 1.00 0.00 C ATOM 687 C ARG A 62 1.054 -22.913 6.767 1.00 0.00 C ATOM 688 O ARG A 62 0.995 -22.775 7.979 1.00 0.00 O ATOM 689 CB ARG A 62 0.336 -20.513 6.325 1.00 0.00 C ATOM 690 CG ARG A 62 0.615 -19.273 5.478 1.00 0.00 C ATOM 691 CD ARG A 62 0.172 -19.311 4.016 1.00 0.00 C ATOM 692 NE ARG A 62 -1.269 -19.738 3.877 1.00 0.00 N ATOM 693 CZ ARG A 62 -2.247 -18.918 3.849 1.00 0.00 C ATOM 694 NH1 ARG A 62 -2.241 -17.898 3.084 1.00 0.00 N ATOM 695 NH2 ARG A 62 -3.213 -19.189 4.628 1.00 0.00 N ATOM 0 H ARG A 62 -0.920 -22.213 4.824 1.00 0.00 H new ATOM 0 HA ARG A 62 1.979 -21.552 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.741 -20.655 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.724 -20.359 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.130 -18.422 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.688 -19.083 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.303 -18.325 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.810 -19.999 3.461 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.472 -20.735 3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.442 -17.722 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.035 -17.258 3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.172 -20.017 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.029 -18.578 4.660 1.00 0.00 H new ATOM 709 N ILE A 63 1.216 -24.018 6.106 1.00 0.00 N ATOM 710 CA ILE A 63 1.308 -25.406 6.688 1.00 0.00 C ATOM 711 C ILE A 63 2.129 -25.652 7.933 1.00 0.00 C ATOM 712 O ILE A 63 1.854 -26.558 8.700 1.00 0.00 O ATOM 713 CB ILE A 63 1.789 -26.316 5.516 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.970 -27.767 5.920 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.153 -25.809 5.042 1.00 0.00 C ATOM 716 CD1 ILE A 63 0.640 -28.460 6.198 1.00 0.00 C ATOM 0 H ILE A 63 1.297 -24.022 5.089 1.00 0.00 H new ATOM 0 HA ILE A 63 0.315 -25.625 7.082 1.00 0.00 H new ATOM 0 HB ILE A 63 1.022 -26.270 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.496 -28.300 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.597 -27.819 6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.508 -26.433 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.059 -24.778 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.865 -25.855 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.822 -29.496 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.124 -27.946 7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.022 -28.434 5.301 1.00 0.00 H new ATOM 728 N ASP A 64 3.132 -24.855 8.144 1.00 0.00 N ATOM 729 CA ASP A 64 3.923 -25.010 9.414 1.00 0.00 C ATOM 730 C ASP A 64 2.899 -24.827 10.595 1.00 0.00 C ATOM 731 O ASP A 64 3.117 -25.177 11.740 1.00 0.00 O ATOM 732 CB ASP A 64 5.034 -23.902 9.402 1.00 0.00 C ATOM 733 CG ASP A 64 4.402 -22.517 9.433 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.797 -22.136 8.453 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.527 -21.867 10.454 1.00 0.00 O ATOM 0 H ASP A 64 3.443 -24.115 7.515 1.00 0.00 H new ATOM 0 HA ASP A 64 4.413 -25.978 9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.692 -24.028 10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.652 -24.007 8.510 1.00 0.00 H new ATOM 740 N ARG A 65 1.799 -24.247 10.199 1.00 0.00 N ATOM 741 CA ARG A 65 0.665 -23.873 11.072 1.00 0.00 C ATOM 742 C ARG A 65 -0.735 -24.069 10.413 1.00 0.00 C ATOM 743 O ARG A 65 -0.898 -24.647 9.357 1.00 0.00 O ATOM 744 CB ARG A 65 1.012 -22.449 11.359 1.00 0.00 C ATOM 745 CG ARG A 65 0.848 -22.092 12.855 1.00 0.00 C ATOM 746 CD ARG A 65 1.965 -21.126 13.337 1.00 0.00 C ATOM 747 NE ARG A 65 3.292 -21.678 12.866 1.00 0.00 N ATOM 748 CZ ARG A 65 4.117 -22.392 13.541 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.098 -22.424 14.803 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.976 -23.070 12.897 1.00 0.00 N ATOM 0 H ARG A 65 1.639 -24.002 9.222 1.00 0.00 H new ATOM 0 HA ARG A 65 0.555 -24.495 11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.041 -22.260 11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.377 -21.796 10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.127 -21.631 13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.872 -23.004 13.452 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.804 -20.126 12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.952 -21.039 14.423 1.00 0.00 H new ATOM 0 HE ARG A 65 3.560 -21.459 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.412 -21.871 15.317 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.769 -23.003 15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.993 -23.035 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.649 -23.650 13.399 1.00 0.00 H new ATOM 764 N VAL A 66 -1.696 -23.553 11.134 1.00 0.00 N ATOM 765 CA VAL A 66 -3.097 -23.395 10.656 1.00 0.00 C ATOM 766 C VAL A 66 -2.906 -21.861 10.769 1.00 0.00 C ATOM 767 O VAL A 66 -2.770 -21.372 11.880 1.00 0.00 O ATOM 768 CB VAL A 66 -4.177 -23.895 11.675 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.556 -24.139 11.009 1.00 0.00 C ATOM 770 CG2 VAL A 66 -3.960 -25.258 12.154 1.00 0.00 C ATOM 0 H VAL A 66 -1.553 -23.218 12.087 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.425 -23.889 9.742 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.125 -23.115 12.435 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.267 -24.484 11.760 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.917 -23.210 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.455 -24.895 10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.750 -25.528 12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.973 -25.947 11.309 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.994 -25.318 12.656 1.00 0.00 H new ATOM 780 N ARG A 67 -2.864 -21.082 9.726 1.00 0.00 N ATOM 781 CA ARG A 67 -2.583 -19.625 9.997 1.00 0.00 C ATOM 782 C ARG A 67 -3.862 -18.889 10.443 1.00 0.00 C ATOM 783 O ARG A 67 -4.734 -18.513 9.676 1.00 0.00 O ATOM 784 CB ARG A 67 -1.988 -19.060 8.702 1.00 0.00 C ATOM 785 CG ARG A 67 -1.240 -17.719 8.936 1.00 0.00 C ATOM 786 CD ARG A 67 0.298 -17.951 8.864 1.00 0.00 C ATOM 787 NE ARG A 67 0.723 -18.941 9.895 1.00 0.00 N ATOM 788 CZ ARG A 67 1.962 -19.116 10.187 1.00 0.00 C ATOM 789 NH1 ARG A 67 2.577 -18.273 10.927 1.00 0.00 N ATOM 790 NH2 ARG A 67 2.496 -20.167 9.694 1.00 0.00 N ATOM 0 H ARG A 67 -3.001 -21.355 8.753 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.880 -19.491 10.820 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.300 -19.788 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.785 -18.907 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.542 -16.988 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.509 -17.307 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.572 -18.309 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.822 -17.008 9.018 1.00 0.00 H new ATOM 0 HE ARG A 67 0.014 -19.492 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.084 -17.457 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.561 -18.417 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.941 -20.797 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.477 -20.376 9.880 1.00 0.00 H new ATOM 804 N LEU A 68 -3.957 -18.668 11.735 1.00 0.00 N ATOM 805 CA LEU A 68 -5.175 -18.019 12.241 1.00 0.00 C ATOM 806 C LEU A 68 -5.216 -16.510 12.072 1.00 0.00 C ATOM 807 O LEU A 68 -4.903 -15.764 12.980 1.00 0.00 O ATOM 808 CB LEU A 68 -5.343 -18.441 13.762 1.00 0.00 C ATOM 809 CG LEU A 68 -6.247 -19.706 13.835 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.602 -20.858 13.070 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.461 -20.187 15.269 1.00 0.00 C ATOM 0 H LEU A 68 -3.254 -18.908 12.434 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.013 -18.364 11.635 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.369 -18.647 14.206 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.788 -17.626 14.333 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.205 -19.421 13.401 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.243 -21.737 13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.470 -20.573 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.631 -21.087 13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.098 -21.071 15.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.499 -20.435 15.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.939 -19.398 15.850 1.00 0.00 H new ATOM 823 N PHE A 69 -5.556 -16.121 10.866 1.00 0.00 N ATOM 824 CA PHE A 69 -5.905 -14.706 10.693 1.00 0.00 C ATOM 825 C PHE A 69 -7.268 -14.430 11.401 1.00 0.00 C ATOM 826 O PHE A 69 -8.370 -14.782 11.001 1.00 0.00 O ATOM 827 CB PHE A 69 -5.875 -14.491 9.135 1.00 0.00 C ATOM 828 CG PHE A 69 -4.444 -14.166 8.916 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.063 -13.021 9.524 1.00 0.00 C ATOM 830 CD2 PHE A 69 -3.536 -14.890 8.194 1.00 0.00 C ATOM 831 CE1 PHE A 69 -2.809 -12.566 9.437 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.294 -14.415 8.121 1.00 0.00 C ATOM 833 CZ PHE A 69 -1.887 -13.267 8.714 1.00 0.00 C ATOM 0 H PHE A 69 -5.602 -16.708 10.033 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.226 -13.989 11.154 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.182 -15.384 8.590 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.534 -13.682 8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.789 -12.460 10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.815 -15.810 7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.527 -11.650 9.935 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.567 -14.979 7.555 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.869 -12.919 8.618 1.00 0.00 H new ATOM 843 N VAL A 70 -7.031 -13.749 12.496 1.00 0.00 N ATOM 844 CA VAL A 70 -8.126 -13.378 13.474 1.00 0.00 C ATOM 845 C VAL A 70 -8.451 -11.866 13.343 1.00 0.00 C ATOM 846 O VAL A 70 -7.773 -11.179 12.618 1.00 0.00 O ATOM 847 CB VAL A 70 -7.654 -13.687 14.934 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.173 -15.134 15.133 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.489 -12.773 15.342 1.00 0.00 C ATOM 0 H VAL A 70 -6.103 -13.423 12.767 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.020 -13.961 13.252 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.537 -13.517 15.551 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.862 -15.275 16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.986 -15.823 14.902 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.330 -15.332 14.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.181 -13.009 16.361 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.650 -12.928 14.664 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.808 -11.732 15.292 1.00 0.00 H new ATOM 859 N ASP A 71 -9.420 -11.315 14.019 1.00 0.00 N ATOM 860 CA ASP A 71 -9.697 -9.862 13.783 1.00 0.00 C ATOM 861 C ASP A 71 -8.936 -8.938 14.743 1.00 0.00 C ATOM 862 O ASP A 71 -7.785 -9.125 15.098 1.00 0.00 O ATOM 863 CB ASP A 71 -11.238 -9.632 13.905 1.00 0.00 C ATOM 864 CG ASP A 71 -11.695 -9.651 15.349 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.291 -10.549 16.062 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.415 -8.705 15.603 1.00 0.00 O ATOM 0 H ASP A 71 -10.016 -11.783 14.702 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.343 -9.606 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.500 -8.675 13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.767 -10.404 13.346 1.00 0.00 H new ATOM 871 N LYS A 72 -9.685 -7.954 15.119 1.00 0.00 N ATOM 872 CA LYS A 72 -9.218 -6.890 16.048 1.00 0.00 C ATOM 873 C LYS A 72 -9.475 -7.254 17.519 1.00 0.00 C ATOM 874 O LYS A 72 -9.178 -6.530 18.446 1.00 0.00 O ATOM 875 CB LYS A 72 -9.965 -5.611 15.652 1.00 0.00 C ATOM 876 CG LYS A 72 -9.719 -5.226 14.161 1.00 0.00 C ATOM 877 CD LYS A 72 -10.722 -4.114 13.694 1.00 0.00 C ATOM 878 CE LYS A 72 -12.169 -4.650 13.713 1.00 0.00 C ATOM 879 NZ LYS A 72 -13.069 -3.589 13.148 1.00 0.00 N ATOM 0 H LYS A 72 -10.649 -7.834 14.808 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.139 -6.759 15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.033 -5.749 15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.645 -4.791 16.295 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.695 -4.873 14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.830 -6.108 13.531 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.641 -3.245 14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.464 -3.782 12.688 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.243 -5.565 13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.468 -4.900 14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.052 -3.930 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.999 -2.729 13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.781 -3.373 12.172 1.00 0.00 H new ATOM 893 N LEU A 73 -10.024 -8.413 17.623 1.00 0.00 N ATOM 894 CA LEU A 73 -10.448 -9.048 18.908 1.00 0.00 C ATOM 895 C LEU A 73 -10.017 -10.532 18.928 1.00 0.00 C ATOM 896 O LEU A 73 -10.697 -11.356 19.505 1.00 0.00 O ATOM 897 CB LEU A 73 -11.955 -8.914 18.938 1.00 0.00 C ATOM 898 CG LEU A 73 -12.430 -7.462 18.789 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.952 -7.475 18.591 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.121 -6.674 20.064 1.00 0.00 C ATOM 0 H LEU A 73 -10.215 -8.999 16.810 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.992 -8.577 19.779 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.384 -9.515 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.332 -9.319 19.877 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.923 -6.998 17.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.314 -6.452 18.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.197 -8.044 17.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.427 -7.938 19.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.462 -5.645 19.948 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.634 -7.133 20.909 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.046 -6.682 20.245 1.00 0.00 H new ATOM 912 N ASP A 74 -8.905 -10.801 18.296 1.00 0.00 N ATOM 913 CA ASP A 74 -8.355 -12.177 18.166 1.00 0.00 C ATOM 914 C ASP A 74 -9.414 -13.290 17.971 1.00 0.00 C ATOM 915 O ASP A 74 -9.208 -14.436 18.314 1.00 0.00 O ATOM 916 CB ASP A 74 -7.408 -12.351 19.456 1.00 0.00 C ATOM 917 CG ASP A 74 -7.789 -13.508 20.391 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.774 -13.310 21.078 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.092 -14.516 20.370 1.00 0.00 O ATOM 0 H ASP A 74 -8.333 -10.087 17.845 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.791 -12.296 17.241 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.383 -12.500 19.118 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.423 -11.423 20.027 1.00 0.00 H new ATOM 924 N ASN A 75 -10.512 -12.899 17.379 1.00 0.00 N ATOM 925 CA ASN A 75 -11.650 -13.808 17.062 1.00 0.00 C ATOM 926 C ASN A 75 -11.556 -14.096 15.562 1.00 0.00 C ATOM 927 O ASN A 75 -11.116 -13.292 14.763 1.00 0.00 O ATOM 928 CB ASN A 75 -12.982 -13.093 17.423 1.00 0.00 C ATOM 929 CG ASN A 75 -13.209 -13.125 18.913 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.315 -14.151 19.550 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.292 -11.982 19.490 1.00 0.00 N ATOM 0 H ASN A 75 -10.671 -11.934 17.088 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.616 -14.739 17.627 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.954 -12.060 17.075 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.813 -13.579 16.912 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.449 -11.929 20.496 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.201 -11.126 18.942 1.00 0.00 H new ATOM 938 N ILE A 76 -11.983 -15.258 15.199 1.00 0.00 N ATOM 939 CA ILE A 76 -11.865 -15.698 13.817 1.00 0.00 C ATOM 940 C ILE A 76 -12.841 -15.058 12.886 1.00 0.00 C ATOM 941 O ILE A 76 -14.032 -15.293 12.803 1.00 0.00 O ATOM 942 CB ILE A 76 -11.948 -17.186 13.846 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.671 -17.434 14.705 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.737 -17.649 12.364 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.411 -18.808 14.904 1.00 0.00 C ATOM 0 H ILE A 76 -12.420 -15.933 15.827 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.911 -15.376 13.400 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.851 -17.672 14.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.813 -16.972 14.216 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.787 -16.946 15.673 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.786 -18.737 12.312 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.517 -17.220 11.734 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.761 -17.313 12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.511 -18.924 15.508 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.255 -19.267 15.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.266 -19.294 13.939 1.00 0.00 H new ATOM 957 N ALA A 77 -12.086 -14.244 12.236 1.00 0.00 N ATOM 958 CA ALA A 77 -12.420 -13.284 11.206 1.00 0.00 C ATOM 959 C ALA A 77 -12.535 -13.986 9.853 1.00 0.00 C ATOM 960 O ALA A 77 -13.523 -13.871 9.157 1.00 0.00 O ATOM 961 CB ALA A 77 -11.268 -12.354 11.476 1.00 0.00 C ATOM 0 H ALA A 77 -11.085 -14.222 12.430 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.376 -12.760 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.311 -11.511 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.329 -11.988 12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.328 -12.889 11.337 1.00 0.00 H new ATOM 967 N GLN A 78 -11.500 -14.711 9.569 1.00 0.00 N ATOM 968 CA GLN A 78 -11.395 -15.446 8.270 1.00 0.00 C ATOM 969 C GLN A 78 -11.391 -16.924 8.662 1.00 0.00 C ATOM 970 O GLN A 78 -10.888 -17.224 9.726 1.00 0.00 O ATOM 971 CB GLN A 78 -10.079 -14.990 7.622 1.00 0.00 C ATOM 972 CG GLN A 78 -9.880 -15.685 6.240 1.00 0.00 C ATOM 973 CD GLN A 78 -8.524 -15.310 5.649 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.546 -16.011 5.796 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.397 -14.212 4.974 1.00 0.00 N ATOM 0 H GLN A 78 -10.700 -14.833 10.190 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.198 -15.264 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.086 -13.908 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.242 -15.227 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.947 -16.767 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.676 -15.388 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.203 -13.603 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.491 -13.956 4.582 1.00 0.00 H new ATOM 984 N VAL A 79 -11.907 -17.840 7.878 1.00 0.00 N ATOM 985 CA VAL A 79 -11.824 -19.236 8.425 1.00 0.00 C ATOM 986 C VAL A 79 -10.347 -19.678 8.389 1.00 0.00 C ATOM 987 O VAL A 79 -9.634 -19.365 7.452 1.00 0.00 O ATOM 988 CB VAL A 79 -12.689 -20.240 7.587 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.494 -21.657 8.168 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.141 -19.990 7.924 1.00 0.00 C ATOM 0 H VAL A 79 -12.344 -17.709 6.966 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.212 -19.239 9.444 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.426 -20.136 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.089 -22.370 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.441 -21.933 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.814 -21.670 9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.770 -20.675 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.300 -20.152 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.402 -18.963 7.670 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.901 -20.396 9.397 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.492 -20.858 9.494 1.00 0.00 C ATOM 1002 C PRO A 80 -8.383 -22.224 8.793 1.00 0.00 C ATOM 1003 O PRO A 80 -9.380 -22.907 8.648 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.232 -20.917 11.000 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.574 -20.390 11.591 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.636 -20.855 10.595 1.00 0.00 C ATOM 0 HA PRO A 80 -7.755 -20.217 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.011 -21.930 11.335 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.387 -20.293 11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.757 -20.796 12.586 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.567 -19.304 11.687 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.813 -21.930 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.603 -20.370 10.728 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.213 -22.618 8.397 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.051 -23.909 7.669 1.00 0.00 C ATOM 1016 C ARG A 81 -5.629 -24.339 7.941 1.00 0.00 C ATOM 1017 O ARG A 81 -4.824 -23.483 8.249 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.330 -23.651 6.119 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.061 -24.012 5.303 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.141 -23.712 3.814 1.00 0.00 C ATOM 1021 NE ARG A 81 -4.709 -23.444 3.462 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.037 -24.170 2.657 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -3.817 -25.368 2.992 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.620 -23.637 1.574 1.00 0.00 N ATOM 0 H ARG A 81 -6.348 -22.098 8.546 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.742 -24.689 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.175 -24.253 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.597 -22.607 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.213 -23.470 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.855 -25.075 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.547 -24.553 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.778 -22.852 3.607 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.248 -22.640 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.173 -25.723 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.283 -25.980 2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.827 -22.658 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.080 -24.190 0.909 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.319 -25.603 7.829 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.900 -25.982 8.014 1.00 0.00 C ATOM 1040 C VAL A 82 -3.406 -25.488 6.699 1.00 0.00 C ATOM 1041 O VAL A 82 -3.707 -26.033 5.646 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.587 -27.449 8.016 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.053 -27.515 7.983 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -3.941 -28.004 9.366 1.00 0.00 C ATOM 0 H VAL A 82 -5.967 -26.364 7.624 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.506 -25.615 8.962 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.099 -27.971 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.734 -28.557 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.687 -27.023 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.648 -27.012 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.721 -29.071 9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.356 -27.496 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.003 -27.848 9.556 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.673 -24.454 6.848 1.00 0.00 N ATOM 1055 CA GLY A 83 -2.115 -23.806 5.692 1.00 0.00 C ATOM 1056 C GLY A 83 -2.571 -22.331 5.736 1.00 0.00 C ATOM 1057 O GLY A 83 -2.713 -21.755 6.802 1.00 0.00 O ATOM 1058 OXT GLY A 83 -2.754 -21.830 4.650 1.00 0.00 O ATOM 0 H GLY A 83 -2.437 -24.028 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.027 -23.874 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.458 -24.288 4.777 1.00 0.00 H new