USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 799 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 39 GLN :FLIP amide:sc= -2.48 F(o=-3.9!,f=-2.5) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot -147:sc= -0.925 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.112 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0837 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.198 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 0.402 USER MOD Single : A 6 SER OG : rot 58:sc= 0.315 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.152 F(o=-0.95,f=-0.15) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.882! USER MOD Single : A 35 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.2!) USER MOD Single : A 36 THR OG1 : rot 127:sc= -0.682 USER MOD Single : A 41 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.25) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.229 F(o=-0.96,f=-0.23) USER MOD Single : A 47 CYS SG : rot -72:sc= 1.1 USER MOD Single : A 48 SER OG : rot 24:sc= 0.0109 USER MOD Single : A 50 SER OG : rot 62:sc= 0.0977 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 173:sc= -0.863 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 68 CYS SG : rot 10:sc= -5.05! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 151:sc= -0.0957 (180deg=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -126:sc= -4.47! (180deg=-5.09!) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 0.481 (180deg=0.0814) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 53:sc= 0.0653 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.352 11.140 -23.931 1.00 0.00 N ATOM 2 CA GLY A 1 -25.886 10.808 -22.595 1.00 0.00 C ATOM 3 C GLY A 1 -24.860 11.829 -22.103 1.00 0.00 C ATOM 4 O GLY A 1 -24.738 12.915 -22.668 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.387 11.243 -23.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.918 12.034 -24.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.085 10.381 -24.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.732 10.777 -21.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.441 9.813 -22.598 1.00 0.00 H new ATOM 8 N SER A 2 -24.147 11.446 -21.053 1.00 0.00 N ATOM 9 CA SER A 2 -23.135 12.315 -20.478 1.00 0.00 C ATOM 10 C SER A 2 -21.910 11.494 -20.072 1.00 0.00 C ATOM 11 O SER A 2 -22.003 10.614 -19.217 1.00 0.00 O ATOM 12 CB SER A 2 -23.686 13.079 -19.272 1.00 0.00 C ATOM 13 OG SER A 2 -24.272 12.206 -18.310 1.00 0.00 O ATOM 0 H SER A 2 -24.251 10.545 -20.586 1.00 0.00 H new ATOM 0 HA SER A 2 -22.841 13.045 -21.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.882 13.647 -18.804 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.431 13.800 -19.609 1.00 0.00 H new ATOM 0 HG SER A 2 -23.760 11.372 -18.271 1.00 0.00 H new ATOM 19 N SER A 3 -20.789 11.810 -20.704 1.00 0.00 N ATOM 20 CA SER A 3 -19.547 11.112 -20.419 1.00 0.00 C ATOM 21 C SER A 3 -18.375 11.838 -21.083 1.00 0.00 C ATOM 22 O SER A 3 -18.556 12.530 -22.083 1.00 0.00 O ATOM 23 CB SER A 3 -19.609 9.659 -20.895 1.00 0.00 C ATOM 24 OG SER A 3 -19.358 9.544 -22.292 1.00 0.00 O ATOM 0 H SER A 3 -20.715 12.540 -21.412 1.00 0.00 H new ATOM 0 HA SER A 3 -19.398 11.106 -19.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.878 9.066 -20.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.591 9.245 -20.668 1.00 0.00 H new ATOM 0 HG SER A 3 -19.405 8.601 -22.556 1.00 0.00 H new ATOM 30 N GLY A 4 -17.200 11.654 -20.500 1.00 0.00 N ATOM 31 CA GLY A 4 -15.998 12.283 -21.022 1.00 0.00 C ATOM 32 C GLY A 4 -14.901 12.339 -19.957 1.00 0.00 C ATOM 33 O GLY A 4 -15.128 11.966 -18.807 1.00 0.00 O ATOM 0 H GLY A 4 -17.054 11.078 -19.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.640 11.728 -21.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.230 13.292 -21.363 1.00 0.00 H new ATOM 37 N SER A 5 -13.736 12.807 -20.378 1.00 0.00 N ATOM 38 CA SER A 5 -12.603 12.916 -19.475 1.00 0.00 C ATOM 39 C SER A 5 -11.670 14.037 -19.939 1.00 0.00 C ATOM 40 O SER A 5 -11.719 14.452 -21.096 1.00 0.00 O ATOM 41 CB SER A 5 -11.839 11.593 -19.386 1.00 0.00 C ATOM 42 OG SER A 5 -12.492 10.657 -18.534 1.00 0.00 O ATOM 0 H SER A 5 -13.552 13.115 -21.333 1.00 0.00 H new ATOM 0 HA SER A 5 -12.981 13.154 -18.481 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.737 11.166 -20.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.832 11.780 -19.014 1.00 0.00 H new ATOM 0 HG SER A 5 -13.411 10.952 -18.367 1.00 0.00 H new ATOM 48 N SER A 6 -10.841 14.496 -19.012 1.00 0.00 N ATOM 49 CA SER A 6 -9.899 15.560 -19.312 1.00 0.00 C ATOM 50 C SER A 6 -9.058 15.878 -18.074 1.00 0.00 C ATOM 51 O SER A 6 -9.583 16.348 -17.066 1.00 0.00 O ATOM 52 CB SER A 6 -10.624 16.817 -19.798 1.00 0.00 C ATOM 53 OG SER A 6 -10.461 17.019 -21.199 1.00 0.00 O ATOM 0 H SER A 6 -10.803 14.150 -18.053 1.00 0.00 H new ATOM 0 HA SER A 6 -9.242 15.220 -20.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.686 16.736 -19.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.244 17.686 -19.260 1.00 0.00 H new ATOM 0 HG SER A 6 -10.800 16.238 -21.684 1.00 0.00 H new ATOM 59 N GLY A 7 -7.766 15.608 -18.191 1.00 0.00 N ATOM 60 CA GLY A 7 -6.847 15.860 -17.094 1.00 0.00 C ATOM 61 C GLY A 7 -6.298 17.287 -17.154 1.00 0.00 C ATOM 62 O GLY A 7 -5.426 17.586 -17.968 1.00 0.00 O ATOM 0 H GLY A 7 -7.334 15.217 -19.028 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.358 15.703 -16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.023 15.148 -17.135 1.00 0.00 H new ATOM 66 N SER A 8 -6.832 18.129 -16.282 1.00 0.00 N ATOM 67 CA SER A 8 -6.407 19.517 -16.226 1.00 0.00 C ATOM 68 C SER A 8 -6.260 19.961 -14.769 1.00 0.00 C ATOM 69 O SER A 8 -7.119 19.668 -13.938 1.00 0.00 O ATOM 70 CB SER A 8 -7.393 20.426 -16.961 1.00 0.00 C ATOM 71 OG SER A 8 -6.927 20.781 -18.260 1.00 0.00 O ATOM 0 H SER A 8 -7.555 17.877 -15.608 1.00 0.00 H new ATOM 0 HA SER A 8 -5.441 19.598 -16.723 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.356 19.922 -17.047 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.558 21.330 -16.375 1.00 0.00 H new ATOM 0 HG SER A 8 -7.586 21.360 -18.697 1.00 0.00 H new ATOM 77 N ALA A 9 -5.167 20.662 -14.504 1.00 0.00 N ATOM 78 CA ALA A 9 -4.898 21.149 -13.162 1.00 0.00 C ATOM 79 C ALA A 9 -4.762 19.959 -12.209 1.00 0.00 C ATOM 80 O ALA A 9 -5.041 18.822 -12.587 1.00 0.00 O ATOM 81 CB ALA A 9 -6.007 22.113 -12.736 1.00 0.00 C ATOM 0 H ALA A 9 -4.458 20.904 -15.196 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.959 21.701 -13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.805 22.478 -11.729 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.042 22.955 -13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.965 21.593 -12.748 1.00 0.00 H new ATOM 87 N SER A 10 -4.335 20.262 -10.992 1.00 0.00 N ATOM 88 CA SER A 10 -4.159 19.232 -9.983 1.00 0.00 C ATOM 89 C SER A 10 -3.112 18.217 -10.448 1.00 0.00 C ATOM 90 O SER A 10 -2.869 18.076 -11.645 1.00 0.00 O ATOM 91 CB SER A 10 -5.482 18.527 -9.679 1.00 0.00 C ATOM 92 OG SER A 10 -6.180 19.145 -8.601 1.00 0.00 O ATOM 0 H SER A 10 -4.106 21.206 -10.682 1.00 0.00 H new ATOM 0 HA SER A 10 -3.813 19.708 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.110 18.535 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.289 17.483 -9.435 1.00 0.00 H new ATOM 0 HG SER A 10 -7.020 18.667 -8.439 1.00 0.00 H new ATOM 98 N LYS A 11 -2.521 17.537 -9.476 1.00 0.00 N ATOM 99 CA LYS A 11 -1.506 16.540 -9.771 1.00 0.00 C ATOM 100 C LYS A 11 -2.017 15.608 -10.872 1.00 0.00 C ATOM 101 O LYS A 11 -3.208 15.305 -10.930 1.00 0.00 O ATOM 102 CB LYS A 11 -1.086 15.810 -8.494 1.00 0.00 C ATOM 103 CG LYS A 11 0.011 16.581 -7.757 1.00 0.00 C ATOM 104 CD LYS A 11 0.376 15.892 -6.441 1.00 0.00 C ATOM 105 CE LYS A 11 0.690 16.921 -5.353 1.00 0.00 C ATOM 106 NZ LYS A 11 0.740 16.271 -4.024 1.00 0.00 N ATOM 0 H LYS A 11 -2.726 17.657 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.602 17.017 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.950 15.686 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.729 14.811 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.895 16.656 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.326 17.598 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.448 15.256 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.239 15.243 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.644 17.403 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.069 17.703 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.954 16.983 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.180 15.831 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.481 15.541 -4.022 1.00 0.00 H new ATOM 120 N ARG A 12 -1.092 15.180 -11.717 1.00 0.00 N ATOM 121 CA ARG A 12 -1.433 14.289 -12.813 1.00 0.00 C ATOM 122 C ARG A 12 -1.304 12.830 -12.371 1.00 0.00 C ATOM 123 O ARG A 12 -0.336 12.463 -11.707 1.00 0.00 O ATOM 124 CB ARG A 12 -0.528 14.531 -14.022 1.00 0.00 C ATOM 125 CG ARG A 12 -1.329 14.485 -15.325 1.00 0.00 C ATOM 126 CD ARG A 12 -0.695 15.382 -16.390 1.00 0.00 C ATOM 127 NE ARG A 12 -1.739 15.899 -17.303 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.537 16.872 -18.202 1.00 0.00 C ATOM 129 NH1 ARG A 12 -0.329 17.441 -18.313 1.00 0.00 N ATOM 130 NH2 ARG A 12 -2.543 17.277 -18.989 1.00 0.00 N ATOM 0 H ARG A 12 -0.105 15.434 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.464 14.495 -13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.038 15.500 -13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.259 13.777 -14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.377 13.459 -15.690 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.354 14.805 -15.138 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.173 16.212 -15.914 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.048 14.820 -16.955 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.671 15.489 -17.244 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.437 17.133 -17.713 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.175 18.182 -18.997 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.463 16.845 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.389 18.018 -19.673 1.00 0.00 H new ATOM 144 N TRP A 13 -2.293 12.038 -12.758 1.00 0.00 N ATOM 145 CA TRP A 13 -2.302 10.628 -12.409 1.00 0.00 C ATOM 146 C TRP A 13 -2.621 9.830 -13.676 1.00 0.00 C ATOM 147 O TRP A 13 -3.514 10.198 -14.437 1.00 0.00 O ATOM 148 CB TRP A 13 -3.281 10.351 -11.266 1.00 0.00 C ATOM 149 CG TRP A 13 -2.937 11.076 -9.964 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.953 12.395 -9.725 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.524 10.466 -8.723 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.581 12.678 -8.427 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.313 11.468 -7.798 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.336 9.113 -8.393 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.902 11.222 -6.482 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.925 8.884 -7.074 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.707 9.881 -6.131 1.00 0.00 C ATOM 0 H TRP A 13 -3.094 12.346 -13.310 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.326 10.317 -12.037 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.283 10.645 -11.580 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.308 9.278 -11.076 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.223 13.142 -10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.515 13.605 -8.006 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.496 8.313 -9.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.744 12.024 -5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.766 7.860 -6.768 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.389 9.622 -5.132 1.00 0.00 H new ATOM 168 N SER A 14 -1.873 8.752 -13.862 1.00 0.00 N ATOM 169 CA SER A 14 -2.065 7.900 -15.023 1.00 0.00 C ATOM 170 C SER A 14 -3.435 7.222 -14.954 1.00 0.00 C ATOM 171 O SER A 14 -4.167 7.392 -13.980 1.00 0.00 O ATOM 172 CB SER A 14 -0.957 6.849 -15.124 1.00 0.00 C ATOM 173 OG SER A 14 -1.435 5.540 -14.830 1.00 0.00 O ATOM 0 H SER A 14 -1.133 8.449 -13.228 1.00 0.00 H new ATOM 0 HA SER A 14 -2.020 8.523 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.534 6.863 -16.129 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.152 7.104 -14.435 1.00 0.00 H new ATOM 0 HG SER A 14 -0.724 5.022 -14.398 1.00 0.00 H new ATOM 179 N PRO A 15 -3.748 6.448 -16.027 1.00 0.00 N ATOM 180 CA PRO A 15 -5.017 5.744 -16.097 1.00 0.00 C ATOM 181 C PRO A 15 -5.019 4.524 -15.173 1.00 0.00 C ATOM 182 O PRO A 15 -3.984 3.889 -14.975 1.00 0.00 O ATOM 183 CB PRO A 15 -5.184 5.379 -17.563 1.00 0.00 C ATOM 184 CG PRO A 15 -3.797 5.479 -18.178 1.00 0.00 C ATOM 185 CD PRO A 15 -2.905 6.223 -17.198 1.00 0.00 C ATOM 0 HA PRO A 15 -5.854 6.351 -15.754 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.588 4.372 -17.671 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.880 6.056 -18.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.397 4.486 -18.380 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.839 6.006 -19.131 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.022 5.637 -16.943 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.553 7.165 -17.619 1.00 0.00 H new ATOM 193 N PRO A 16 -6.224 4.225 -14.619 1.00 0.00 N ATOM 194 CA PRO A 16 -6.374 3.093 -13.721 1.00 0.00 C ATOM 195 C PRO A 16 -6.365 1.774 -14.495 1.00 0.00 C ATOM 196 O PRO A 16 -6.989 1.664 -15.549 1.00 0.00 O ATOM 197 CB PRO A 16 -7.683 3.343 -12.988 1.00 0.00 C ATOM 198 CG PRO A 16 -8.444 4.356 -13.828 1.00 0.00 C ATOM 199 CD PRO A 16 -7.471 4.955 -14.831 1.00 0.00 C ATOM 0 HA PRO A 16 -5.548 3.004 -13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.252 2.420 -12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.501 3.726 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.276 3.876 -14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.868 5.136 -13.195 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.831 4.835 -15.853 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.338 6.024 -14.664 1.00 0.00 H new ATOM 207 N ARG A 17 -5.650 0.805 -13.943 1.00 0.00 N ATOM 208 CA ARG A 17 -5.551 -0.503 -14.569 1.00 0.00 C ATOM 209 C ARG A 17 -6.465 -1.502 -13.857 1.00 0.00 C ATOM 210 O ARG A 17 -6.732 -1.365 -12.664 1.00 0.00 O ATOM 211 CB ARG A 17 -4.113 -1.023 -14.533 1.00 0.00 C ATOM 212 CG ARG A 17 -3.593 -1.100 -13.096 1.00 0.00 C ATOM 213 CD ARG A 17 -2.217 -1.766 -13.045 1.00 0.00 C ATOM 214 NE ARG A 17 -1.172 -0.802 -13.458 1.00 0.00 N ATOM 215 CZ ARG A 17 0.143 -1.004 -13.296 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.582 -2.135 -12.727 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.018 -0.074 -13.701 1.00 0.00 N ATOM 0 H ARG A 17 -5.133 0.899 -13.069 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.861 -0.398 -15.609 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.068 -2.010 -14.993 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.471 -0.368 -15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.531 -0.097 -12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.296 -1.662 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.014 -2.124 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.200 -2.636 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.472 0.071 -13.893 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.085 -2.842 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.583 -2.289 -12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.683 0.788 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.019 -0.227 -13.578 1.00 0.00 H new ATOM 231 N GLY A 18 -6.921 -2.485 -14.620 1.00 0.00 N ATOM 232 CA GLY A 18 -7.800 -3.507 -14.078 1.00 0.00 C ATOM 233 C GLY A 18 -7.007 -4.744 -13.654 1.00 0.00 C ATOM 234 O GLY A 18 -6.501 -5.481 -14.498 1.00 0.00 O ATOM 0 H GLY A 18 -6.698 -2.595 -15.609 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.343 -3.108 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.543 -3.786 -14.825 1.00 0.00 H new ATOM 238 N ILE A 19 -6.922 -4.933 -12.345 1.00 0.00 N ATOM 239 CA ILE A 19 -6.199 -6.068 -11.798 1.00 0.00 C ATOM 240 C ILE A 19 -7.196 -7.158 -11.398 1.00 0.00 C ATOM 241 O ILE A 19 -8.347 -6.865 -11.079 1.00 0.00 O ATOM 242 CB ILE A 19 -5.285 -5.621 -10.656 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.535 -4.339 -11.023 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.331 -6.745 -10.245 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.456 -4.018 -9.987 1.00 0.00 C ATOM 0 H ILE A 19 -7.342 -4.319 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.540 -6.499 -12.552 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.907 -5.393 -9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.078 -4.450 -12.006 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.238 -3.509 -11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.692 -6.401 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.908 -7.609 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.713 -7.027 -11.097 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.939 -3.102 -10.272 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.919 -3.884 -9.009 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.741 -4.839 -9.940 1.00 0.00 H new ATOM 257 N HIS A 20 -6.717 -8.393 -11.427 1.00 0.00 N ATOM 258 CA HIS A 20 -7.551 -9.528 -11.070 1.00 0.00 C ATOM 259 C HIS A 20 -6.743 -10.514 -10.226 1.00 0.00 C ATOM 260 O HIS A 20 -5.821 -11.157 -10.727 1.00 0.00 O ATOM 261 CB HIS A 20 -8.154 -10.173 -12.320 1.00 0.00 C ATOM 262 CG HIS A 20 -7.275 -10.078 -13.545 1.00 0.00 C ATOM 263 ND1 HIS A 20 -5.917 -10.101 -13.671 1.00 0.00 N flip ATOM 264 CD2 HIS A 20 -7.784 -9.942 -14.824 1.00 0.00 C flip ATOM 265 CE1 HIS A 20 -5.613 -9.987 -14.958 1.00 0.00 C flip ATOM 266 NE2 HIS A 20 -6.769 -9.887 -15.674 1.00 0.00 N flip ATOM 0 H HIS A 20 -5.762 -8.633 -11.692 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.392 -9.190 -10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.358 -11.223 -12.112 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.112 -9.699 -12.535 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.831 -9.890 -15.085 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.615 -9.975 -15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.840 -9.787 -16.687 1.00 0.00 H new ATOM 274 N PHE A 21 -7.117 -10.604 -8.958 1.00 0.00 N ATOM 275 CA PHE A 21 -6.438 -11.501 -8.039 1.00 0.00 C ATOM 276 C PHE A 21 -7.345 -11.870 -6.862 1.00 0.00 C ATOM 277 O PHE A 21 -8.451 -11.346 -6.739 1.00 0.00 O ATOM 278 CB PHE A 21 -5.213 -10.755 -7.508 1.00 0.00 C ATOM 279 CG PHE A 21 -5.551 -9.549 -6.629 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.925 -8.374 -7.202 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.477 -9.652 -5.275 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.239 -7.254 -6.387 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.791 -8.532 -4.460 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.165 -7.357 -5.033 1.00 0.00 C ATOM 0 H PHE A 21 -7.882 -10.070 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.162 -12.421 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.598 -11.449 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.611 -10.419 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.983 -8.292 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.180 -10.585 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.536 -6.321 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.733 -8.614 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.403 -6.506 -4.413 1.00 0.00 H new ATOM 294 N THR A 22 -6.843 -12.769 -6.029 1.00 0.00 N ATOM 295 CA THR A 22 -7.594 -13.214 -4.867 1.00 0.00 C ATOM 296 C THR A 22 -6.871 -12.813 -3.579 1.00 0.00 C ATOM 297 O THR A 22 -5.791 -13.324 -3.284 1.00 0.00 O ATOM 298 CB THR A 22 -7.814 -14.722 -4.996 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.987 -14.834 -5.796 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.206 -15.372 -3.667 1.00 0.00 C ATOM 0 H THR A 22 -5.925 -13.202 -6.135 1.00 0.00 H new ATOM 0 HA THR A 22 -8.570 -12.731 -4.818 1.00 0.00 H new ATOM 0 HB THR A 22 -6.906 -15.190 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.202 -15.781 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.350 -16.442 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.415 -15.210 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.133 -14.928 -3.304 1.00 0.00 H new ATOM 308 N VAL A 23 -7.495 -11.902 -2.847 1.00 0.00 N ATOM 309 CA VAL A 23 -6.924 -11.427 -1.598 1.00 0.00 C ATOM 310 C VAL A 23 -6.379 -12.617 -0.806 1.00 0.00 C ATOM 311 O VAL A 23 -6.698 -13.766 -1.107 1.00 0.00 O ATOM 312 CB VAL A 23 -7.966 -10.619 -0.821 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.531 -10.417 0.632 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.238 -9.276 -1.503 1.00 0.00 C ATOM 0 H VAL A 23 -8.390 -11.480 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.088 -10.755 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.896 -11.188 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.289 -9.840 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.411 -11.387 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.583 -9.880 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.982 -8.721 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.314 -8.699 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.612 -9.449 -2.512 1.00 0.00 H new ATOM 324 N GLU A 24 -5.564 -12.300 0.190 1.00 0.00 N ATOM 325 CA GLU A 24 -4.971 -13.329 1.027 1.00 0.00 C ATOM 326 C GLU A 24 -5.120 -12.962 2.505 1.00 0.00 C ATOM 327 O GLU A 24 -4.327 -12.189 3.039 1.00 0.00 O ATOM 328 CB GLU A 24 -3.502 -13.553 0.663 1.00 0.00 C ATOM 329 CG GLU A 24 -3.374 -14.435 -0.581 1.00 0.00 C ATOM 330 CD GLU A 24 -2.549 -15.688 -0.281 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.904 -16.381 0.697 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.582 -15.926 -1.037 1.00 0.00 O ATOM 0 H GLU A 24 -5.301 -11.346 0.436 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.502 -14.264 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.017 -12.593 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.983 -14.021 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.365 -14.723 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.904 -13.869 -1.386 1.00 0.00 H new ATOM 339 N GLU A 25 -6.143 -13.534 3.124 1.00 0.00 N ATOM 340 CA GLU A 25 -6.406 -13.277 4.529 1.00 0.00 C ATOM 341 C GLU A 25 -5.433 -14.068 5.405 1.00 0.00 C ATOM 342 O GLU A 25 -5.853 -14.823 6.281 1.00 0.00 O ATOM 343 CB GLU A 25 -7.857 -13.607 4.885 1.00 0.00 C ATOM 344 CG GLU A 25 -8.270 -14.960 4.303 1.00 0.00 C ATOM 345 CD GLU A 25 -9.012 -15.801 5.343 1.00 0.00 C ATOM 346 OE1 GLU A 25 -9.756 -15.191 6.141 1.00 0.00 O ATOM 347 OE2 GLU A 25 -8.819 -17.036 5.317 1.00 0.00 O ATOM 0 H GLU A 25 -6.799 -14.175 2.678 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.253 -12.215 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.975 -13.622 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.515 -12.827 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.908 -14.806 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.386 -15.497 3.959 1.00 0.00 H new ATOM 354 N GLY A 26 -4.150 -13.869 5.139 1.00 0.00 N ATOM 355 CA GLY A 26 -3.114 -14.555 5.892 1.00 0.00 C ATOM 356 C GLY A 26 -1.724 -14.064 5.484 1.00 0.00 C ATOM 357 O GLY A 26 -0.843 -13.912 6.328 1.00 0.00 O ATOM 0 H GLY A 26 -3.805 -13.242 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.264 -14.388 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.188 -15.629 5.724 1.00 0.00 H new ATOM 361 N ASP A 27 -1.571 -13.829 4.189 1.00 0.00 N ATOM 362 CA ASP A 27 -0.302 -13.359 3.658 1.00 0.00 C ATOM 363 C ASP A 27 -0.547 -12.625 2.338 1.00 0.00 C ATOM 364 O ASP A 27 -0.520 -13.234 1.270 1.00 0.00 O ATOM 365 CB ASP A 27 0.646 -14.527 3.380 1.00 0.00 C ATOM 366 CG ASP A 27 2.051 -14.125 2.927 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.858 -13.780 3.817 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.286 -14.172 1.700 1.00 0.00 O ATOM 0 H ASP A 27 -2.305 -13.955 3.492 1.00 0.00 H new ATOM 0 HA ASP A 27 0.148 -12.697 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.731 -15.130 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.201 -15.162 2.614 1.00 0.00 H new ATOM 373 N LEU A 28 -0.782 -11.326 2.455 1.00 0.00 N ATOM 374 CA LEU A 28 -1.031 -10.502 1.285 1.00 0.00 C ATOM 375 C LEU A 28 0.239 -10.431 0.436 1.00 0.00 C ATOM 376 O LEU A 28 0.172 -10.447 -0.792 1.00 0.00 O ATOM 377 CB LEU A 28 -1.571 -9.132 1.699 1.00 0.00 C ATOM 378 CG LEU A 28 -2.974 -9.120 2.310 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.257 -7.789 3.008 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.033 -9.452 1.258 1.00 0.00 C ATOM 0 H LEU A 28 -0.805 -10.824 3.343 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.806 -10.950 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.879 -8.693 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.573 -8.484 0.822 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.021 -9.899 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.260 -7.807 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.528 -7.633 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.184 -6.976 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.021 -9.437 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.995 -8.713 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.840 -10.443 0.847 1.00 0.00 H new ATOM 392 N GLY A 29 1.369 -10.355 1.124 1.00 0.00 N ATOM 393 CA GLY A 29 2.653 -10.282 0.448 1.00 0.00 C ATOM 394 C GLY A 29 3.084 -8.828 0.246 1.00 0.00 C ATOM 395 O GLY A 29 4.144 -8.564 -0.320 1.00 0.00 O ATOM 0 H GLY A 29 1.422 -10.342 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.406 -10.811 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.589 -10.784 -0.518 1.00 0.00 H new ATOM 399 N PHE A 30 2.241 -7.923 0.719 1.00 0.00 N ATOM 400 CA PHE A 30 2.521 -6.502 0.598 1.00 0.00 C ATOM 401 C PHE A 30 1.832 -5.710 1.710 1.00 0.00 C ATOM 402 O PHE A 30 1.052 -6.266 2.482 1.00 0.00 O ATOM 403 CB PHE A 30 1.964 -6.051 -0.754 1.00 0.00 C ATOM 404 CG PHE A 30 0.440 -6.127 -0.856 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.323 -5.078 -0.446 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.153 -7.244 -1.356 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.738 -5.149 -0.540 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.568 -7.315 -1.451 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.331 -6.266 -1.041 1.00 0.00 C ATOM 0 H PHE A 30 1.363 -8.146 1.187 1.00 0.00 H new ATOM 0 HA PHE A 30 3.594 -6.326 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.280 -5.025 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.402 -6.667 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.148 -4.191 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.452 -8.077 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.343 -4.316 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.039 -8.202 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.407 -6.320 -1.113 1.00 0.00 H new ATOM 419 N THR A 31 2.144 -4.423 1.757 1.00 0.00 N ATOM 420 CA THR A 31 1.564 -3.549 2.763 1.00 0.00 C ATOM 421 C THR A 31 1.101 -2.237 2.125 1.00 0.00 C ATOM 422 O THR A 31 1.300 -2.018 0.932 1.00 0.00 O ATOM 423 CB THR A 31 2.599 -3.352 3.872 1.00 0.00 C ATOM 424 OG1 THR A 31 2.421 -1.998 4.277 1.00 0.00 O ATOM 425 CG2 THR A 31 4.036 -3.399 3.348 1.00 0.00 C ATOM 0 H THR A 31 2.791 -3.965 1.115 1.00 0.00 H new ATOM 0 HA THR A 31 0.672 -3.993 3.206 1.00 0.00 H new ATOM 0 HB THR A 31 2.465 -4.121 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.053 -1.786 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.730 -3.254 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.222 -4.367 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.180 -2.609 2.611 1.00 0.00 H new ATOM 433 N LEU A 32 0.490 -1.399 2.950 1.00 0.00 N ATOM 434 CA LEU A 32 -0.003 -0.115 2.482 1.00 0.00 C ATOM 435 C LEU A 32 0.689 1.007 3.260 1.00 0.00 C ATOM 436 O LEU A 32 0.491 1.144 4.466 1.00 0.00 O ATOM 437 CB LEU A 32 -1.530 -0.067 2.561 1.00 0.00 C ATOM 438 CG LEU A 32 -2.278 -1.125 1.748 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.783 -1.057 2.011 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.950 -1.004 0.258 1.00 0.00 C ATOM 0 H LEU A 32 0.325 -1.584 3.939 1.00 0.00 H new ATOM 0 HA LEU A 32 0.244 0.027 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.823 -0.166 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.860 0.918 2.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.939 -2.108 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.290 -1.820 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.976 -1.230 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.157 -0.072 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.495 -1.767 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.242 -0.017 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.879 -1.141 0.109 1.00 0.00 H new ATOM 452 N ARG A 33 1.485 1.781 2.537 1.00 0.00 N ATOM 453 CA ARG A 33 2.207 2.886 3.144 1.00 0.00 C ATOM 454 C ARG A 33 1.597 4.220 2.709 1.00 0.00 C ATOM 455 O ARG A 33 0.802 4.268 1.772 1.00 0.00 O ATOM 456 CB ARG A 33 3.686 2.858 2.754 1.00 0.00 C ATOM 457 CG ARG A 33 4.341 1.543 3.184 1.00 0.00 C ATOM 458 CD ARG A 33 5.722 1.793 3.794 1.00 0.00 C ATOM 459 NE ARG A 33 6.296 0.520 4.286 1.00 0.00 N ATOM 460 CZ ARG A 33 5.871 -0.120 5.384 1.00 0.00 C ATOM 461 NH1 ARG A 33 4.867 0.389 6.111 1.00 0.00 N ATOM 462 NH2 ARG A 33 6.451 -1.270 5.755 1.00 0.00 N ATOM 0 H ARG A 33 1.646 1.665 1.536 1.00 0.00 H new ATOM 0 HA ARG A 33 2.127 2.781 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.784 2.982 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.205 3.696 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.705 1.036 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.434 0.880 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.383 2.236 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.643 2.507 4.614 1.00 0.00 H new ATOM 0 HE ARG A 33 7.062 0.104 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.426 1.264 5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.544 -0.099 6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.215 -1.657 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.128 -1.758 6.591 1.00 0.00 H new ATOM 476 N GLY A 34 1.994 5.272 3.411 1.00 0.00 N ATOM 477 CA GLY A 34 1.497 6.603 3.110 1.00 0.00 C ATOM 478 C GLY A 34 0.118 6.829 3.735 1.00 0.00 C ATOM 479 O GLY A 34 -0.375 5.984 4.480 1.00 0.00 O ATOM 0 H GLY A 34 2.654 5.229 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.197 7.350 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.437 6.737 2.030 1.00 0.00 H new ATOM 483 N ASN A 35 -0.464 7.973 3.408 1.00 0.00 N ATOM 484 CA ASN A 35 -1.776 8.320 3.928 1.00 0.00 C ATOM 485 C ASN A 35 -2.845 7.934 2.904 1.00 0.00 C ATOM 486 O ASN A 35 -3.639 7.026 3.142 1.00 0.00 O ATOM 487 CB ASN A 35 -1.887 9.825 4.183 1.00 0.00 C ATOM 488 CG ASN A 35 -2.805 10.113 5.373 1.00 0.00 C ATOM 489 OD1 ASN A 35 -2.860 9.372 6.341 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.519 11.228 5.247 1.00 0.00 N ATOM 0 H ASN A 35 -0.052 8.672 2.790 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.919 7.783 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.897 10.239 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.273 10.321 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.161 11.509 5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.424 11.802 4.409 1.00 0.00 H new ATOM 497 N THR A 36 -2.830 8.643 1.784 1.00 0.00 N ATOM 498 CA THR A 36 -3.787 8.385 0.723 1.00 0.00 C ATOM 499 C THR A 36 -3.517 9.301 -0.473 1.00 0.00 C ATOM 500 O THR A 36 -3.215 10.481 -0.301 1.00 0.00 O ATOM 501 CB THR A 36 -5.193 8.546 1.305 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.038 8.611 0.159 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.392 9.899 1.991 1.00 0.00 C ATOM 0 H THR A 36 -2.170 9.396 1.589 1.00 0.00 H new ATOM 0 HA THR A 36 -3.691 7.368 0.343 1.00 0.00 H new ATOM 0 HB THR A 36 -5.383 7.745 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.754 7.948 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.406 9.961 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.677 10.001 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.235 10.700 1.269 1.00 0.00 H new ATOM 511 N PRO A 37 -3.638 8.707 -1.691 1.00 0.00 N ATOM 512 CA PRO A 37 -4.000 7.304 -1.806 1.00 0.00 C ATOM 513 C PRO A 37 -2.818 6.402 -1.445 1.00 0.00 C ATOM 514 O PRO A 37 -1.705 6.607 -1.928 1.00 0.00 O ATOM 515 CB PRO A 37 -4.459 7.134 -3.245 1.00 0.00 C ATOM 516 CG PRO A 37 -3.902 8.327 -4.005 1.00 0.00 C ATOM 517 CD PRO A 37 -3.435 9.352 -2.984 1.00 0.00 C ATOM 0 HA PRO A 37 -4.790 7.014 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.091 6.198 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.547 7.105 -3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.074 8.020 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.665 8.756 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.388 9.613 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.008 10.276 -3.060 1.00 0.00 H new ATOM 525 N VAL A 38 -3.100 5.422 -0.599 1.00 0.00 N ATOM 526 CA VAL A 38 -2.074 4.488 -0.168 1.00 0.00 C ATOM 527 C VAL A 38 -1.341 3.940 -1.394 1.00 0.00 C ATOM 528 O VAL A 38 -1.768 4.160 -2.526 1.00 0.00 O ATOM 529 CB VAL A 38 -2.697 3.390 0.697 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.379 3.984 1.931 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.677 2.541 -0.116 1.00 0.00 C ATOM 0 H VAL A 38 -4.024 5.255 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.334 4.993 0.453 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.894 2.738 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.813 3.182 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.644 4.524 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.166 4.670 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.105 1.768 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.474 3.176 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.150 2.073 -0.948 1.00 0.00 H new ATOM 541 N GLN A 39 -0.251 3.236 -1.127 1.00 0.00 N ATOM 542 CA GLN A 39 0.545 2.655 -2.194 1.00 0.00 C ATOM 543 C GLN A 39 0.729 1.154 -1.962 1.00 0.00 C ATOM 544 O GLN A 39 0.307 0.624 -0.935 1.00 0.00 O ATOM 545 CB GLN A 39 1.897 3.360 -2.316 1.00 0.00 C ATOM 546 CG GLN A 39 1.878 4.390 -3.448 1.00 0.00 C ATOM 547 CD GLN A 39 2.975 5.439 -3.253 1.00 0.00 C ATOM 548 OE1 GLN A 39 2.527 6.617 -2.829 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 4.150 5.194 -3.474 1.00 0.00 N flip ATOM 0 H GLN A 39 0.100 3.055 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 39 0.013 2.795 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.140 3.853 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.679 2.624 -2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.017 3.887 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.904 4.879 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.425 4.267 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.857 5.916 -3.334 1.00 0.00 H new ATOM 558 N VAL A 40 1.359 0.510 -2.934 1.00 0.00 N ATOM 559 CA VAL A 40 1.604 -0.920 -2.848 1.00 0.00 C ATOM 560 C VAL A 40 3.104 -1.167 -2.677 1.00 0.00 C ATOM 561 O VAL A 40 3.862 -1.097 -3.643 1.00 0.00 O ATOM 562 CB VAL A 40 1.018 -1.625 -4.073 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.344 -3.120 -4.053 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.492 -1.395 -4.169 1.00 0.00 C ATOM 0 H VAL A 40 1.707 0.952 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 40 1.104 -1.342 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 40 1.480 -1.193 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.916 -3.598 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.425 -3.257 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.923 -3.572 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.883 -1.907 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.977 -1.787 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.693 -0.327 -4.252 1.00 0.00 H new ATOM 574 N HIS A 41 3.487 -1.450 -1.441 1.00 0.00 N ATOM 575 CA HIS A 41 4.883 -1.708 -1.131 1.00 0.00 C ATOM 576 C HIS A 41 5.147 -3.214 -1.166 1.00 0.00 C ATOM 577 O HIS A 41 5.329 -3.841 -0.123 1.00 0.00 O ATOM 578 CB HIS A 41 5.269 -1.070 0.205 1.00 0.00 C ATOM 579 CG HIS A 41 6.690 -0.560 0.254 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.173 0.400 -0.617 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.726 -0.887 1.079 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.443 0.632 -0.322 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.784 -0.167 0.730 1.00 0.00 N ATOM 0 H HIS A 41 2.855 -1.506 -0.642 1.00 0.00 H new ATOM 0 HA HIS A 41 5.518 -1.245 -1.886 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.590 -0.243 0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.129 -1.803 1.000 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.691 -1.610 1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.094 1.331 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.701 -0.205 1.175 1.00 0.00 H new ATOM 591 N PHE A 42 5.160 -3.752 -2.377 1.00 0.00 N ATOM 592 CA PHE A 42 5.399 -5.173 -2.562 1.00 0.00 C ATOM 593 C PHE A 42 6.635 -5.628 -1.783 1.00 0.00 C ATOM 594 O PHE A 42 7.691 -5.003 -1.869 1.00 0.00 O ATOM 595 CB PHE A 42 5.642 -5.395 -4.056 1.00 0.00 C ATOM 596 CG PHE A 42 4.366 -5.634 -4.866 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.420 -6.497 -4.406 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.177 -4.983 -6.045 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.236 -6.718 -5.157 1.00 0.00 C ATOM 600 CE2 PHE A 42 2.992 -5.204 -6.796 1.00 0.00 C ATOM 601 CZ PHE A 42 2.047 -6.067 -6.336 1.00 0.00 C ATOM 0 H PHE A 42 5.009 -3.229 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 42 4.544 -5.744 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.160 -4.526 -4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.306 -6.250 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.570 -7.014 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.928 -4.298 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.485 -7.403 -4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.841 -4.687 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.146 -6.235 -6.907 1.00 0.00 H new ATOM 611 N LEU A 43 6.462 -6.712 -1.042 1.00 0.00 N ATOM 612 CA LEU A 43 7.551 -7.257 -0.248 1.00 0.00 C ATOM 613 C LEU A 43 8.007 -8.583 -0.859 1.00 0.00 C ATOM 614 O LEU A 43 9.184 -8.932 -0.787 1.00 0.00 O ATOM 615 CB LEU A 43 7.140 -7.366 1.221 1.00 0.00 C ATOM 616 CG LEU A 43 7.046 -6.047 1.991 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.453 -6.267 3.384 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.406 -5.348 2.050 1.00 0.00 C ATOM 0 H LEU A 43 5.585 -7.228 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 43 8.409 -6.585 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.171 -7.863 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.855 -8.011 1.731 1.00 0.00 H new ATOM 0 HG LEU A 43 6.367 -5.385 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.397 -5.314 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.452 -6.689 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.086 -6.954 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.311 -4.413 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.126 -5.995 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.751 -5.137 1.038 1.00 0.00 H new ATOM 630 N ASP A 44 7.051 -9.287 -1.447 1.00 0.00 N ATOM 631 CA ASP A 44 7.339 -10.568 -2.070 1.00 0.00 C ATOM 632 C ASP A 44 7.053 -10.476 -3.571 1.00 0.00 C ATOM 633 O ASP A 44 5.964 -10.073 -3.975 1.00 0.00 O ATOM 634 CB ASP A 44 6.458 -11.675 -1.488 1.00 0.00 C ATOM 635 CG ASP A 44 7.216 -12.893 -0.957 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.838 -12.750 0.118 1.00 0.00 O ATOM 637 OD2 ASP A 44 7.157 -13.939 -1.638 1.00 0.00 O ATOM 0 H ASP A 44 6.076 -8.994 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 44 8.386 -10.806 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.862 -11.256 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.761 -12.007 -2.258 1.00 0.00 H new ATOM 642 N PRO A 45 8.078 -10.866 -4.376 1.00 0.00 N ATOM 643 CA PRO A 45 7.947 -10.831 -5.823 1.00 0.00 C ATOM 644 C PRO A 45 7.071 -11.982 -6.322 1.00 0.00 C ATOM 645 O PRO A 45 6.710 -12.027 -7.497 1.00 0.00 O ATOM 646 CB PRO A 45 9.372 -10.898 -6.348 1.00 0.00 C ATOM 647 CG PRO A 45 10.214 -11.434 -5.201 1.00 0.00 C ATOM 648 CD PRO A 45 9.382 -11.348 -3.932 1.00 0.00 C ATOM 0 HA PRO A 45 7.447 -9.930 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.437 -11.551 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.720 -9.913 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.510 -12.465 -5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.131 -10.853 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.300 -12.320 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.831 -10.667 -3.209 1.00 0.00 H new ATOM 656 N HIS A 46 6.756 -12.884 -5.404 1.00 0.00 N ATOM 657 CA HIS A 46 5.929 -14.032 -5.737 1.00 0.00 C ATOM 658 C HIS A 46 4.819 -14.183 -4.695 1.00 0.00 C ATOM 659 O HIS A 46 4.790 -15.163 -3.952 1.00 0.00 O ATOM 660 CB HIS A 46 6.783 -15.293 -5.881 1.00 0.00 C ATOM 661 CG HIS A 46 8.181 -15.033 -6.389 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.617 -14.417 -7.525 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 9.315 -15.426 -5.698 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 9.944 -14.431 -7.528 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 10.379 -15.057 -6.396 1.00 0.00 N flip ATOM 0 H HIS A 46 7.058 -12.843 -4.431 1.00 0.00 H new ATOM 0 HA HIS A 46 5.453 -13.874 -6.705 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.846 -15.789 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.283 -15.983 -6.561 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.330 -15.945 -4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.576 -14.015 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.352 -15.213 -6.133 1.00 0.00 H new ATOM 673 N CYS A 47 3.932 -13.199 -4.674 1.00 0.00 N ATOM 674 CA CYS A 47 2.823 -13.211 -3.735 1.00 0.00 C ATOM 675 C CYS A 47 1.536 -13.487 -4.516 1.00 0.00 C ATOM 676 O CYS A 47 1.294 -14.616 -4.940 1.00 0.00 O ATOM 677 CB CYS A 47 2.740 -11.906 -2.941 1.00 0.00 C ATOM 678 SG CYS A 47 3.207 -10.494 -4.007 1.00 0.00 S ATOM 0 H CYS A 47 3.959 -12.388 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 47 2.976 -13.999 -2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.728 -11.766 -2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.402 -11.954 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 47 4.489 -10.519 -4.223 1.00 0.00 H new ATOM 684 N SER A 48 0.746 -12.437 -4.681 1.00 0.00 N ATOM 685 CA SER A 48 -0.510 -12.552 -5.403 1.00 0.00 C ATOM 686 C SER A 48 -0.767 -11.279 -6.212 1.00 0.00 C ATOM 687 O SER A 48 -0.747 -11.305 -7.441 1.00 0.00 O ATOM 688 CB SER A 48 -1.673 -12.817 -4.446 1.00 0.00 C ATOM 689 OG SER A 48 -1.808 -14.202 -4.140 1.00 0.00 O ATOM 0 H SER A 48 0.951 -11.502 -4.327 1.00 0.00 H new ATOM 0 HA SER A 48 -0.436 -13.399 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.519 -12.256 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.599 -12.452 -4.891 1.00 0.00 H new ATOM 0 HG SER A 48 -0.950 -14.653 -4.281 1.00 0.00 H new ATOM 695 N ALA A 49 -1.003 -10.194 -5.488 1.00 0.00 N ATOM 696 CA ALA A 49 -1.264 -8.913 -6.123 1.00 0.00 C ATOM 697 C ALA A 49 -0.276 -8.708 -7.273 1.00 0.00 C ATOM 698 O ALA A 49 -0.679 -8.411 -8.397 1.00 0.00 O ATOM 699 CB ALA A 49 -1.181 -7.799 -5.078 1.00 0.00 C ATOM 0 H ALA A 49 -1.019 -10.176 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.269 -8.891 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.377 -6.838 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.922 -7.975 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.185 -7.789 -4.636 1.00 0.00 H new ATOM 705 N SER A 50 0.999 -8.875 -6.953 1.00 0.00 N ATOM 706 CA SER A 50 2.047 -8.712 -7.946 1.00 0.00 C ATOM 707 C SER A 50 1.783 -9.629 -9.142 1.00 0.00 C ATOM 708 O SER A 50 1.665 -9.161 -10.273 1.00 0.00 O ATOM 709 CB SER A 50 3.424 -9.006 -7.346 1.00 0.00 C ATOM 710 OG SER A 50 4.443 -8.198 -7.928 1.00 0.00 O ATOM 0 H SER A 50 1.330 -9.121 -6.020 1.00 0.00 H new ATOM 0 HA SER A 50 2.040 -7.675 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.395 -8.834 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.667 -10.058 -7.494 1.00 0.00 H new ATOM 0 HG SER A 50 4.257 -7.254 -7.744 1.00 0.00 H new ATOM 716 N LEU A 51 1.697 -10.919 -8.851 1.00 0.00 N ATOM 717 CA LEU A 51 1.449 -11.905 -9.888 1.00 0.00 C ATOM 718 C LEU A 51 0.300 -11.425 -10.777 1.00 0.00 C ATOM 719 O LEU A 51 0.408 -11.445 -12.002 1.00 0.00 O ATOM 720 CB LEU A 51 1.214 -13.285 -9.271 1.00 0.00 C ATOM 721 CG LEU A 51 2.430 -13.942 -8.614 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.999 -14.976 -7.572 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.363 -14.544 -9.667 1.00 0.00 C ATOM 0 H LEU A 51 1.795 -11.304 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 51 2.325 -12.013 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.425 -13.197 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.843 -13.951 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 51 2.992 -13.171 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.882 -15.428 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.406 -14.488 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.401 -15.750 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.219 -15.005 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.825 -15.299 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.710 -13.758 -10.338 1.00 0.00 H new ATOM 735 N ALA A 52 -0.775 -11.006 -10.125 1.00 0.00 N ATOM 736 CA ALA A 52 -1.943 -10.522 -10.841 1.00 0.00 C ATOM 737 C ALA A 52 -1.491 -9.669 -12.028 1.00 0.00 C ATOM 738 O ALA A 52 -1.683 -10.052 -13.181 1.00 0.00 O ATOM 739 CB ALA A 52 -2.848 -9.750 -9.879 1.00 0.00 C ATOM 0 H ALA A 52 -0.861 -10.992 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.524 -11.356 -11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.724 -9.387 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.165 -10.408 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.300 -8.904 -9.464 1.00 0.00 H new ATOM 745 N GLY A 53 -0.899 -8.529 -11.705 1.00 0.00 N ATOM 746 CA GLY A 53 -0.418 -7.618 -12.731 1.00 0.00 C ATOM 747 C GLY A 53 -0.226 -6.209 -12.166 1.00 0.00 C ATOM 748 O GLY A 53 -0.585 -5.224 -12.810 1.00 0.00 O ATOM 0 H GLY A 53 -0.741 -8.215 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.526 -7.984 -13.134 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.127 -7.589 -13.558 1.00 0.00 H new ATOM 752 N ALA A 54 0.341 -6.158 -10.970 1.00 0.00 N ATOM 753 CA ALA A 54 0.585 -4.886 -10.312 1.00 0.00 C ATOM 754 C ALA A 54 2.094 -4.662 -10.188 1.00 0.00 C ATOM 755 O ALA A 54 2.884 -5.553 -10.495 1.00 0.00 O ATOM 756 CB ALA A 54 -0.119 -4.870 -8.954 1.00 0.00 C ATOM 0 H ALA A 54 0.638 -6.977 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 54 0.176 -4.065 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.064 -3.916 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.191 -5.004 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.268 -5.679 -8.334 1.00 0.00 H new ATOM 762 N LYS A 55 2.448 -3.467 -9.739 1.00 0.00 N ATOM 763 CA LYS A 55 3.848 -3.115 -9.572 1.00 0.00 C ATOM 764 C LYS A 55 3.982 -2.108 -8.427 1.00 0.00 C ATOM 765 O LYS A 55 3.010 -1.456 -8.052 1.00 0.00 O ATOM 766 CB LYS A 55 4.439 -2.625 -10.895 1.00 0.00 C ATOM 767 CG LYS A 55 4.708 -3.795 -11.842 1.00 0.00 C ATOM 768 CD LYS A 55 5.865 -3.477 -12.792 1.00 0.00 C ATOM 769 CE LYS A 55 5.799 -4.348 -14.048 1.00 0.00 C ATOM 770 NZ LYS A 55 6.716 -5.504 -13.926 1.00 0.00 N ATOM 0 H LYS A 55 1.790 -2.730 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 55 4.432 -3.993 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.752 -1.922 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.367 -2.085 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.943 -4.689 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.809 -4.015 -12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.831 -2.424 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.814 -3.640 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.779 -4.700 -14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.066 -3.755 -14.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.659 -6.085 -14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.691 -5.163 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.444 -6.078 -13.103 1.00 0.00 H new ATOM 784 N GLU A 56 5.196 -2.014 -7.905 1.00 0.00 N ATOM 785 CA GLU A 56 5.471 -1.098 -6.811 1.00 0.00 C ATOM 786 C GLU A 56 5.148 0.339 -7.228 1.00 0.00 C ATOM 787 O GLU A 56 5.458 0.749 -8.345 1.00 0.00 O ATOM 788 CB GLU A 56 6.923 -1.220 -6.344 1.00 0.00 C ATOM 789 CG GLU A 56 7.858 -0.410 -7.244 1.00 0.00 C ATOM 790 CD GLU A 56 9.272 -0.994 -7.233 1.00 0.00 C ATOM 791 OE1 GLU A 56 10.028 -0.631 -6.306 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.565 -1.790 -8.151 1.00 0.00 O ATOM 0 H GLU A 56 6.000 -2.557 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 56 4.830 -1.365 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.009 -0.870 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.224 -2.268 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.472 -0.403 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.886 0.626 -6.907 1.00 0.00 H new ATOM 799 N GLY A 57 4.530 1.063 -6.307 1.00 0.00 N ATOM 800 CA GLY A 57 4.162 2.445 -6.565 1.00 0.00 C ATOM 801 C GLY A 57 2.722 2.543 -7.074 1.00 0.00 C ATOM 802 O GLY A 57 2.337 3.550 -7.666 1.00 0.00 O ATOM 0 H GLY A 57 4.275 0.719 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.269 3.030 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.842 2.875 -7.301 1.00 0.00 H new ATOM 806 N ASP A 58 1.967 1.483 -6.826 1.00 0.00 N ATOM 807 CA ASP A 58 0.579 1.437 -7.253 1.00 0.00 C ATOM 808 C ASP A 58 -0.298 2.106 -6.192 1.00 0.00 C ATOM 809 O ASP A 58 -0.233 1.754 -5.015 1.00 0.00 O ATOM 810 CB ASP A 58 0.101 -0.007 -7.419 1.00 0.00 C ATOM 811 CG ASP A 58 0.568 -0.699 -8.701 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.246 -0.016 -9.500 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.237 -1.894 -8.854 1.00 0.00 O ATOM 0 H ASP A 58 2.290 0.649 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 58 0.503 1.954 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.446 -0.589 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.989 -0.018 -7.394 1.00 0.00 H new ATOM 818 N TYR A 59 -1.099 3.059 -6.647 1.00 0.00 N ATOM 819 CA TYR A 59 -1.988 3.780 -5.753 1.00 0.00 C ATOM 820 C TYR A 59 -3.428 3.283 -5.893 1.00 0.00 C ATOM 821 O TYR A 59 -4.117 3.629 -6.851 1.00 0.00 O ATOM 822 CB TYR A 59 -1.922 5.246 -6.185 1.00 0.00 C ATOM 823 CG TYR A 59 -0.526 5.864 -6.080 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.475 5.456 -6.939 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.268 6.828 -5.127 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.788 6.038 -6.840 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.046 7.409 -5.029 1.00 0.00 C ATOM 828 CZ TYR A 59 2.009 6.985 -5.890 1.00 0.00 C ATOM 829 OH TYR A 59 3.250 7.534 -5.797 1.00 0.00 O ATOM 0 H TYR A 59 -1.150 3.348 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.688 3.636 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.267 5.326 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.612 5.826 -5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.273 4.701 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.051 7.147 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.580 5.729 -7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.262 8.165 -4.288 1.00 0.00 H new ATOM 0 HH TYR A 59 3.261 8.197 -5.075 1.00 0.00 H new ATOM 839 N ILE A 60 -3.840 2.479 -4.924 1.00 0.00 N ATOM 840 CA ILE A 60 -5.186 1.931 -4.928 1.00 0.00 C ATOM 841 C ILE A 60 -6.197 3.075 -5.034 1.00 0.00 C ATOM 842 O ILE A 60 -6.153 4.022 -4.250 1.00 0.00 O ATOM 843 CB ILE A 60 -5.401 1.031 -3.709 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.383 -0.110 -3.684 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.841 0.516 -3.656 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.446 0.017 -2.481 1.00 0.00 C ATOM 0 H ILE A 60 -3.266 2.194 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.335 1.292 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.238 1.627 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.904 -1.066 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.801 -0.103 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.968 -0.121 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.527 1.360 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.055 -0.059 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.732 -0.807 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.908 0.963 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.029 -0.015 -1.561 1.00 0.00 H new ATOM 858 N VAL A 61 -7.084 2.949 -6.010 1.00 0.00 N ATOM 859 CA VAL A 61 -8.105 3.960 -6.229 1.00 0.00 C ATOM 860 C VAL A 61 -9.481 3.360 -5.937 1.00 0.00 C ATOM 861 O VAL A 61 -10.360 4.041 -5.409 1.00 0.00 O ATOM 862 CB VAL A 61 -7.986 4.525 -7.646 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.772 5.448 -7.768 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.926 3.400 -8.681 1.00 0.00 C ATOM 0 H VAL A 61 -7.117 2.162 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.965 4.799 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.879 5.118 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.711 5.836 -8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.874 6.278 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.865 4.889 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.842 3.829 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.060 2.769 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.834 2.800 -8.619 1.00 0.00 H new ATOM 874 N SER A 62 -9.627 2.093 -6.294 1.00 0.00 N ATOM 875 CA SER A 62 -10.882 1.394 -6.077 1.00 0.00 C ATOM 876 C SER A 62 -10.610 -0.053 -5.659 1.00 0.00 C ATOM 877 O SER A 62 -9.477 -0.524 -5.742 1.00 0.00 O ATOM 878 CB SER A 62 -11.756 1.428 -7.333 1.00 0.00 C ATOM 879 OG SER A 62 -11.592 0.257 -8.129 1.00 0.00 O ATOM 0 H SER A 62 -8.897 1.532 -6.732 1.00 0.00 H new ATOM 0 HA SER A 62 -11.422 1.901 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.802 1.526 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.505 2.308 -7.926 1.00 0.00 H new ATOM 0 HG SER A 62 -12.246 0.263 -8.859 1.00 0.00 H new ATOM 885 N ILE A 63 -11.669 -0.717 -5.220 1.00 0.00 N ATOM 886 CA ILE A 63 -11.559 -2.100 -4.788 1.00 0.00 C ATOM 887 C ILE A 63 -12.925 -2.778 -4.908 1.00 0.00 C ATOM 888 O ILE A 63 -13.750 -2.683 -4.000 1.00 0.00 O ATOM 889 CB ILE A 63 -10.954 -2.177 -3.385 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.549 -1.574 -3.359 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.971 -3.614 -2.859 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.851 -1.867 -2.029 1.00 0.00 C ATOM 0 H ILE A 63 -12.607 -0.323 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.874 -2.648 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.572 -1.581 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.959 -1.981 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.609 -0.497 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.535 -3.641 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.999 -3.974 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.391 -4.252 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.854 -1.427 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.430 -1.438 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.771 -2.945 -1.890 1.00 0.00 H new ATOM 904 N GLN A 64 -13.122 -3.446 -6.035 1.00 0.00 N ATOM 905 CA GLN A 64 -14.375 -4.139 -6.285 1.00 0.00 C ATOM 906 C GLN A 64 -15.497 -3.131 -6.542 1.00 0.00 C ATOM 907 O GLN A 64 -16.647 -3.371 -6.179 1.00 0.00 O ATOM 908 CB GLN A 64 -14.729 -5.068 -5.122 1.00 0.00 C ATOM 909 CG GLN A 64 -14.545 -6.535 -5.517 1.00 0.00 C ATOM 910 CD GLN A 64 -15.832 -7.107 -6.115 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.703 -6.390 -6.579 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.902 -8.434 -6.078 1.00 0.00 N ATOM 0 H GLN A 64 -12.435 -3.522 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.255 -4.755 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.099 -4.837 -4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.761 -4.897 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.734 -6.622 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.256 -7.117 -4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.136 -8.974 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.721 -8.912 -6.453 1.00 0.00 H new ATOM 921 N GLY A 65 -15.123 -2.024 -7.167 1.00 0.00 N ATOM 922 CA GLY A 65 -16.083 -0.979 -7.477 1.00 0.00 C ATOM 923 C GLY A 65 -16.316 -0.071 -6.267 1.00 0.00 C ATOM 924 O GLY A 65 -17.292 0.675 -6.225 1.00 0.00 O ATOM 0 H GLY A 65 -14.168 -1.828 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.721 -0.386 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.027 -1.428 -7.787 1.00 0.00 H new ATOM 928 N VAL A 66 -15.401 -0.165 -5.313 1.00 0.00 N ATOM 929 CA VAL A 66 -15.494 0.639 -4.106 1.00 0.00 C ATOM 930 C VAL A 66 -14.543 1.832 -4.218 1.00 0.00 C ATOM 931 O VAL A 66 -13.612 1.815 -5.023 1.00 0.00 O ATOM 932 CB VAL A 66 -15.221 -0.230 -2.877 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.273 0.603 -1.594 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.198 -1.405 -2.807 1.00 0.00 C ATOM 0 H VAL A 66 -14.592 -0.785 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.502 1.037 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.214 -0.637 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.076 -0.039 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.520 1.389 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.261 1.052 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.981 -2.006 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.218 -1.027 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.091 -2.021 -3.700 1.00 0.00 H new ATOM 944 N ASP A 67 -14.810 2.840 -3.400 1.00 0.00 N ATOM 945 CA ASP A 67 -13.989 4.039 -3.398 1.00 0.00 C ATOM 946 C ASP A 67 -12.806 3.840 -2.448 1.00 0.00 C ATOM 947 O ASP A 67 -12.995 3.632 -1.251 1.00 0.00 O ATOM 948 CB ASP A 67 -14.787 5.251 -2.913 1.00 0.00 C ATOM 949 CG ASP A 67 -14.460 6.566 -3.622 1.00 0.00 C ATOM 950 OD1 ASP A 67 -14.248 6.510 -4.853 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.431 7.599 -2.919 1.00 0.00 O ATOM 0 H ASP A 67 -15.583 2.851 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.648 4.217 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.849 5.042 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.612 5.378 -1.845 1.00 0.00 H new ATOM 956 N CYS A 68 -11.613 3.912 -3.018 1.00 0.00 N ATOM 957 CA CYS A 68 -10.399 3.743 -2.237 1.00 0.00 C ATOM 958 C CYS A 68 -9.373 4.773 -2.714 1.00 0.00 C ATOM 959 O CYS A 68 -8.230 4.426 -3.008 1.00 0.00 O ATOM 960 CB CYS A 68 -9.860 2.314 -2.332 1.00 0.00 C ATOM 961 SG CYS A 68 -10.966 1.166 -1.434 1.00 0.00 S ATOM 0 H CYS A 68 -11.460 4.085 -4.012 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.616 3.910 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.783 2.015 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.855 2.267 -1.912 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.060 1.786 -1.105 1.00 0.00 H new ATOM 967 N LYS A 69 -9.819 6.020 -2.776 1.00 0.00 N ATOM 968 CA LYS A 69 -8.954 7.103 -3.212 1.00 0.00 C ATOM 969 C LYS A 69 -8.686 8.041 -2.034 1.00 0.00 C ATOM 970 O LYS A 69 -7.598 8.604 -1.919 1.00 0.00 O ATOM 971 CB LYS A 69 -9.548 7.804 -4.434 1.00 0.00 C ATOM 972 CG LYS A 69 -8.448 8.260 -5.395 1.00 0.00 C ATOM 973 CD LYS A 69 -8.862 9.530 -6.141 1.00 0.00 C ATOM 974 CE LYS A 69 -9.936 9.225 -7.187 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.373 9.325 -8.552 1.00 0.00 N ATOM 0 H LYS A 69 -10.768 6.304 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.989 6.713 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.229 7.127 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.136 8.664 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.528 8.444 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.234 7.467 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.239 10.266 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.991 9.971 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.336 8.224 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.767 9.922 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.115 9.115 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.012 10.288 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.595 8.643 -8.658 1.00 0.00 H new ATOM 989 N TRP A 70 -9.696 8.181 -1.188 1.00 0.00 N ATOM 990 CA TRP A 70 -9.583 9.042 -0.023 1.00 0.00 C ATOM 991 C TRP A 70 -9.278 8.160 1.189 1.00 0.00 C ATOM 992 O TRP A 70 -8.575 8.581 2.106 1.00 0.00 O ATOM 993 CB TRP A 70 -10.844 9.890 0.156 1.00 0.00 C ATOM 994 CG TRP A 70 -11.327 10.568 -1.127 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.066 10.039 -2.112 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.073 11.931 -1.527 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.305 10.958 -3.114 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.682 12.145 -2.747 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.352 12.950 -0.880 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.633 13.369 -3.425 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.312 14.167 -1.571 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.920 14.398 -2.799 1.00 0.00 C ATOM 0 H TRP A 70 -10.597 7.712 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.768 9.755 -0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.643 9.257 0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.651 10.655 0.908 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.429 9.022 -2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.840 10.796 -3.967 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.867 12.805 0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.119 13.511 -4.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.770 14.984 -1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.843 15.368 -3.268 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.822 6.952 1.153 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.616 6.007 2.238 1.00 0.00 C ATOM 1015 C LEU A 71 -8.142 6.020 2.647 1.00 0.00 C ATOM 1016 O LEU A 71 -7.273 6.351 1.842 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.134 4.622 1.846 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.638 4.517 1.584 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.079 3.055 1.499 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.433 5.296 2.634 1.00 0.00 C ATOM 0 H LEU A 71 -10.405 6.606 0.390 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.192 6.301 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.606 4.299 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.874 3.921 2.639 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.849 4.973 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.152 3.009 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.548 2.561 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.852 2.551 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.499 5.205 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.222 4.892 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.145 6.347 2.602 1.00 0.00 H new ATOM 1032 N THR A 72 -7.905 5.654 3.898 1.00 0.00 N ATOM 1033 CA THR A 72 -6.551 5.619 4.424 1.00 0.00 C ATOM 1034 C THR A 72 -5.966 4.211 4.296 1.00 0.00 C ATOM 1035 O THR A 72 -6.388 3.435 3.440 1.00 0.00 O ATOM 1036 CB THR A 72 -6.590 6.132 5.865 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.343 5.145 6.565 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.422 7.408 6.010 1.00 0.00 C ATOM 0 H THR A 72 -8.628 5.379 4.563 1.00 0.00 H new ATOM 0 HA THR A 72 -5.887 6.267 3.851 1.00 0.00 H new ATOM 0 HB THR A 72 -5.574 6.320 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.416 5.398 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.417 7.729 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.996 8.193 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.447 7.212 5.696 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.002 3.925 5.159 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.354 2.624 5.153 1.00 0.00 C ATOM 1048 C VAL A 73 -5.258 1.606 5.850 1.00 0.00 C ATOM 1049 O VAL A 73 -5.468 0.506 5.341 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.967 2.728 5.791 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.323 1.347 5.928 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.068 3.676 4.996 1.00 0.00 C ATOM 0 H VAL A 73 -4.654 4.572 5.867 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.202 2.277 4.131 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.088 3.142 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.338 1.448 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.950 0.714 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.221 0.894 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.088 3.732 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.957 3.304 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.517 4.669 4.972 1.00 0.00 H new ATOM 1062 N SER A 74 -5.770 2.008 7.004 1.00 0.00 N ATOM 1063 CA SER A 74 -6.646 1.144 7.776 1.00 0.00 C ATOM 1064 C SER A 74 -7.883 0.783 6.952 1.00 0.00 C ATOM 1065 O SER A 74 -8.207 -0.394 6.795 1.00 0.00 O ATOM 1066 CB SER A 74 -7.060 1.811 9.089 1.00 0.00 C ATOM 1067 OG SER A 74 -7.490 0.860 10.059 1.00 0.00 O ATOM 0 H SER A 74 -5.595 2.921 7.423 1.00 0.00 H new ATOM 0 HA SER A 74 -6.100 0.233 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.220 2.380 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.864 2.522 8.897 1.00 0.00 H new ATOM 0 HG SER A 74 -7.744 1.325 10.883 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.541 1.816 6.446 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.735 1.622 5.641 1.00 0.00 C ATOM 1075 C GLU A 75 -9.487 0.555 4.572 1.00 0.00 C ATOM 1076 O GLU A 75 -10.049 -0.537 4.638 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.190 2.938 5.008 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.068 3.736 5.973 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.384 5.042 6.385 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.304 5.938 5.517 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.958 5.114 7.557 1.00 0.00 O ATOM 0 H GLU A 75 -8.270 2.790 6.578 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.537 1.275 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.319 3.531 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.744 2.733 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.026 3.956 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.279 3.137 6.859 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.645 0.910 3.613 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.316 -0.003 2.531 1.00 0.00 C ATOM 1090 C VAL A 76 -8.080 -1.402 3.104 1.00 0.00 C ATOM 1091 O VAL A 76 -8.757 -2.355 2.724 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.119 0.531 1.742 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.572 -0.534 0.789 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.486 1.808 0.985 1.00 0.00 C ATOM 0 H VAL A 76 -8.181 1.817 3.562 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.145 -0.076 1.827 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.332 0.779 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.722 -0.129 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.253 -1.405 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.351 -0.828 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.617 2.166 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.297 1.597 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.806 2.572 1.694 1.00 0.00 H new ATOM 1104 N MET A 77 -7.116 -1.480 4.010 1.00 0.00 N ATOM 1105 CA MET A 77 -6.781 -2.746 4.639 1.00 0.00 C ATOM 1106 C MET A 77 -8.043 -3.553 4.951 1.00 0.00 C ATOM 1107 O MET A 77 -8.192 -4.683 4.487 1.00 0.00 O ATOM 1108 CB MET A 77 -6.008 -2.485 5.933 1.00 0.00 C ATOM 1109 CG MET A 77 -4.501 -2.626 5.710 1.00 0.00 C ATOM 1110 SD MET A 77 -4.117 -4.282 5.168 1.00 0.00 S ATOM 1111 CE MET A 77 -2.839 -3.929 3.973 1.00 0.00 C ATOM 0 H MET A 77 -6.556 -0.687 4.323 1.00 0.00 H new ATOM 0 HA MET A 77 -6.165 -3.322 3.948 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.233 -1.483 6.299 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.332 -3.186 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.166 -1.904 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.966 -2.403 6.633 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.151 -4.773 3.916 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.291 -3.763 2.995 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.293 -3.036 4.277 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.918 -2.943 5.736 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.162 -3.591 6.116 1.00 0.00 C ATOM 1123 C LYS A 78 -11.000 -3.851 4.863 1.00 0.00 C ATOM 1124 O LYS A 78 -11.722 -4.844 4.790 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.890 -2.770 7.182 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.499 -3.229 8.589 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.912 -2.194 9.638 1.00 0.00 C ATOM 1128 CE LYS A 78 -12.125 -2.676 10.436 1.00 0.00 C ATOM 1129 NZ LYS A 78 -11.712 -3.658 11.464 1.00 0.00 N ATOM 0 H LYS A 78 -8.790 -2.007 6.120 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.962 -4.560 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.649 -1.714 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.967 -2.869 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.975 -4.185 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.422 -3.391 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.079 -2.005 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.146 -1.249 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.615 -1.827 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.853 -3.129 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.547 -3.975 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.264 -4.476 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.034 -3.214 12.116 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.876 -2.942 3.907 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.613 -3.060 2.660 1.00 0.00 C ATOM 1145 C LEU A 79 -11.084 -4.261 1.873 1.00 0.00 C ATOM 1146 O LEU A 79 -11.829 -4.896 1.128 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.564 -1.744 1.882 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.883 -1.286 1.256 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.270 0.108 1.755 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -12.818 -1.351 -0.271 1.00 0.00 C ATOM 0 H LEU A 79 -10.276 -2.120 3.971 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.669 -3.247 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.212 -0.961 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.823 -1.841 1.089 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.668 -1.972 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.211 0.411 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.386 0.087 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.490 0.820 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.768 -1.020 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.018 -0.703 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.621 -2.377 -0.583 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.802 -4.536 2.065 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.165 -5.649 1.382 1.00 0.00 C ATOM 1164 C LEU A 80 -9.412 -6.936 2.173 1.00 0.00 C ATOM 1165 O LEU A 80 -9.753 -7.967 1.596 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.684 -5.352 1.139 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.310 -4.929 -0.283 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.919 -4.295 -0.319 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.429 -6.106 -1.254 1.00 0.00 C ATOM 0 H LEU A 80 -9.187 -4.007 2.684 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.604 -5.791 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.375 -4.563 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.108 -6.241 1.396 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.019 -4.168 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.678 -4.004 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.904 -3.414 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.182 -5.015 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.158 -5.779 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.759 -6.906 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.455 -6.473 -1.257 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.230 -6.833 3.481 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.429 -7.975 4.357 1.00 0.00 C ATOM 1183 C LYS A 81 -10.842 -8.526 4.157 1.00 0.00 C ATOM 1184 O LYS A 81 -11.022 -9.724 3.949 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.114 -7.600 5.807 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.608 -7.419 6.011 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.314 -6.753 7.357 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.875 -6.237 7.410 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.442 -6.054 8.814 1.00 0.00 N ATOM 0 H LYS A 81 -8.947 -5.976 3.956 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.735 -8.776 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.634 -6.678 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.485 -8.377 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.112 -8.388 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.198 -6.812 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.007 -5.927 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.478 -7.467 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.211 -6.940 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.802 -5.291 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.463 -5.703 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.065 -5.366 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.493 -6.964 9.315 1.00 0.00 H new ATOM 1203 N SER A 82 -11.810 -7.623 4.228 1.00 0.00 N ATOM 1204 CA SER A 82 -13.202 -8.003 4.058 1.00 0.00 C ATOM 1205 C SER A 82 -13.343 -8.955 2.868 1.00 0.00 C ATOM 1206 O SER A 82 -14.032 -9.969 2.959 1.00 0.00 O ATOM 1207 CB SER A 82 -14.089 -6.772 3.861 1.00 0.00 C ATOM 1208 OG SER A 82 -15.475 -7.099 3.912 1.00 0.00 O ATOM 0 H SER A 82 -11.657 -6.629 4.401 1.00 0.00 H new ATOM 0 HA SER A 82 -13.530 -8.513 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.862 -6.035 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.861 -6.310 2.900 1.00 0.00 H new ATOM 0 HG SER A 82 -16.008 -6.287 3.784 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.678 -8.593 1.780 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.721 -9.402 0.574 1.00 0.00 C ATOM 1216 C PHE A 83 -11.610 -10.454 0.580 1.00 0.00 C ATOM 1217 O PHE A 83 -11.017 -10.742 -0.458 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.503 -8.455 -0.608 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.518 -7.312 -0.684 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.793 -7.504 -0.251 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.144 -6.104 -1.184 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.734 -6.443 -0.322 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.085 -5.043 -1.254 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.361 -5.235 -0.822 1.00 0.00 C ATOM 0 H PHE A 83 -12.107 -7.751 1.709 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.677 -9.922 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.500 -8.033 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.547 -9.029 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.090 -8.463 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.132 -5.952 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.747 -6.596 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.788 -4.083 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.077 -4.428 -0.876 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.361 -10.999 1.762 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.332 -12.013 1.917 1.00 0.00 C ATOM 1236 C GLY A 84 -10.759 -13.331 1.267 1.00 0.00 C ATOM 1237 O GLY A 84 -11.828 -13.858 1.568 1.00 0.00 O ATOM 0 H GLY A 84 -11.854 -10.757 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.403 -11.665 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.131 -12.174 2.976 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.900 -13.825 0.387 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.174 -15.071 -0.308 1.00 0.00 C ATOM 1243 C GLY A 85 -11.312 -14.898 -1.316 1.00 0.00 C ATOM 1244 O GLY A 85 -12.068 -15.835 -1.571 1.00 0.00 O ATOM 0 H GLY A 85 -9.014 -13.385 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.275 -15.409 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.437 -15.844 0.414 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.399 -13.694 -1.860 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.433 -13.385 -2.834 1.00 0.00 C ATOM 1250 C GLU A 86 -11.860 -12.524 -3.962 1.00 0.00 C ATOM 1251 O GLU A 86 -11.338 -11.438 -3.714 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.625 -12.695 -2.169 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.219 -13.571 -1.065 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.743 -13.442 -1.023 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.394 -14.134 -1.835 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.223 -12.653 -0.180 1.00 0.00 O ATOM 0 H GLU A 86 -10.770 -12.920 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.791 -14.321 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.309 -11.740 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.388 -12.479 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.943 -14.612 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.799 -13.282 -0.101 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.976 -13.042 -5.176 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.476 -12.334 -6.342 1.00 0.00 C ATOM 1265 C GLU A 87 -12.113 -10.946 -6.434 1.00 0.00 C ATOM 1266 O GLU A 87 -13.333 -10.824 -6.536 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.726 -13.137 -7.620 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.478 -13.161 -8.505 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.597 -14.231 -9.592 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.195 -13.909 -10.642 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.088 -15.346 -9.349 1.00 0.00 O ATOM 0 H GLU A 87 -12.409 -13.943 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.398 -12.212 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.014 -14.156 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.559 -12.700 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.336 -12.184 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.597 -13.356 -7.893 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.259 -9.934 -6.395 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.724 -8.559 -6.473 1.00 0.00 C ATOM 1280 C VAL A 88 -10.988 -7.840 -7.605 1.00 0.00 C ATOM 1281 O VAL A 88 -9.966 -8.323 -8.092 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.552 -7.871 -5.117 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.261 -8.655 -4.011 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.071 -7.673 -4.786 1.00 0.00 C ATOM 0 H VAL A 88 -10.248 -10.038 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.788 -8.528 -6.706 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.015 -6.886 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.123 -8.145 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.325 -8.721 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.840 -9.659 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.977 -7.182 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.573 -8.642 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.606 -7.054 -5.553 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.536 -6.697 -7.993 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.945 -5.907 -9.059 1.00 0.00 C ATOM 1296 C GLU A 89 -10.349 -4.616 -8.494 1.00 0.00 C ATOM 1297 O GLU A 89 -11.068 -3.644 -8.266 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.972 -5.605 -10.152 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.368 -5.811 -11.543 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.464 -5.995 -12.594 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.169 -4.997 -12.860 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.573 -7.129 -13.108 1.00 0.00 O ATOM 0 H GLU A 89 -12.383 -6.300 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.141 -6.487 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.840 -6.252 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.323 -4.578 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.748 -4.954 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.716 -6.685 -11.535 1.00 0.00 H new ATOM 1309 N MET A 90 -9.041 -4.646 -8.286 1.00 0.00 N ATOM 1310 CA MET A 90 -8.340 -3.490 -7.753 1.00 0.00 C ATOM 1311 C MET A 90 -7.780 -2.621 -8.880 1.00 0.00 C ATOM 1312 O MET A 90 -7.163 -3.130 -9.814 1.00 0.00 O ATOM 1313 CB MET A 90 -7.196 -3.958 -6.852 1.00 0.00 C ATOM 1314 CG MET A 90 -6.620 -2.791 -6.047 1.00 0.00 C ATOM 1315 SD MET A 90 -5.327 -3.375 -4.964 1.00 0.00 S ATOM 1316 CE MET A 90 -4.399 -4.384 -6.106 1.00 0.00 C ATOM 0 H MET A 90 -8.448 -5.453 -8.477 1.00 0.00 H new ATOM 0 HA MET A 90 -9.047 -2.893 -7.177 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.556 -4.731 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.411 -4.408 -7.459 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.225 -2.033 -6.723 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.409 -2.317 -5.463 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.287 -5.388 -5.697 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.928 -4.437 -7.058 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.414 -3.944 -6.262 1.00 0.00 H new ATOM 1326 N LYS A 91 -8.016 -1.323 -8.756 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.542 -0.377 -9.753 1.00 0.00 C ATOM 1328 C LYS A 91 -6.399 0.450 -9.162 1.00 0.00 C ATOM 1329 O LYS A 91 -6.513 0.971 -8.054 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.702 0.468 -10.283 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.404 -0.234 -11.448 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.705 -0.895 -10.986 1.00 0.00 C ATOM 1333 CE LYS A 91 -10.785 -2.344 -11.471 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.544 -2.425 -12.739 1.00 0.00 N ATOM 0 H LYS A 91 -8.529 -0.904 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.140 -0.904 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.417 0.654 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.330 1.439 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.618 0.488 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.742 -0.986 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.765 -0.868 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.558 -0.333 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.780 -2.741 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.266 -2.962 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.063 -3.326 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.218 -1.635 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.885 -2.372 -13.542 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.322 0.544 -9.929 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.159 1.299 -9.496 1.00 0.00 C ATOM 1350 C VAL A 92 -3.792 2.324 -10.570 1.00 0.00 C ATOM 1351 O VAL A 92 -4.116 2.143 -11.743 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.010 0.345 -9.163 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.343 -0.508 -7.937 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.662 -0.535 -10.366 1.00 0.00 C ATOM 0 H VAL A 92 -5.231 0.110 -10.847 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.381 1.851 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.133 0.947 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.510 -1.177 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.518 0.141 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.239 -1.096 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.842 -1.204 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.534 -1.124 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.361 0.095 -11.203 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.121 3.380 -10.132 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.707 4.434 -11.042 1.00 0.00 C ATOM 1366 C VAL A 93 -1.264 4.835 -10.728 1.00 0.00 C ATOM 1367 O VAL A 93 -0.757 4.545 -9.646 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.685 5.608 -10.962 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.818 5.448 -11.977 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.237 5.766 -9.544 1.00 0.00 C ATOM 0 H VAL A 93 -2.854 3.528 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.729 4.080 -12.073 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.138 6.517 -11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.499 6.296 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.402 5.408 -12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.362 4.526 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.929 6.607 -9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.760 4.855 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.415 5.948 -8.852 1.00 0.00 H new ATOM 1380 N SER A 94 -0.644 5.496 -11.695 1.00 0.00 N ATOM 1381 CA SER A 94 0.730 5.939 -11.535 1.00 0.00 C ATOM 1382 C SER A 94 0.766 7.443 -11.255 1.00 0.00 C ATOM 1383 O SER A 94 -0.021 8.202 -11.819 1.00 0.00 O ATOM 1384 CB SER A 94 1.562 5.611 -12.777 1.00 0.00 C ATOM 1385 OG SER A 94 1.149 4.393 -13.390 1.00 0.00 O ATOM 0 H SER A 94 -1.068 5.735 -12.591 1.00 0.00 H new ATOM 0 HA SER A 94 1.164 5.408 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.477 6.426 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.614 5.539 -12.500 1.00 0.00 H new ATOM 0 HG SER A 94 1.703 4.220 -14.180 1.00 0.00 H new ATOM 1391 N LEU A 95 1.686 7.828 -10.382 1.00 0.00 N ATOM 1392 CA LEU A 95 1.834 9.227 -10.020 1.00 0.00 C ATOM 1393 C LEU A 95 2.899 9.870 -10.910 1.00 0.00 C ATOM 1394 O LEU A 95 4.062 9.472 -10.879 1.00 0.00 O ATOM 1395 CB LEU A 95 2.118 9.366 -8.523 1.00 0.00 C ATOM 1396 CG LEU A 95 1.228 10.349 -7.759 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.509 10.289 -6.257 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.375 11.767 -8.314 1.00 0.00 C ATOM 0 H LEU A 95 2.336 7.195 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 95 0.903 9.766 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.019 8.383 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.156 9.674 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 95 0.189 10.053 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.863 10.997 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.312 9.282 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.552 10.545 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.732 12.446 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.412 12.089 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.086 11.778 -9.365 1.00 0.00 H new ATOM 1410 N LEU A 96 2.463 10.855 -11.682 1.00 0.00 N ATOM 1411 CA LEU A 96 3.365 11.557 -12.580 1.00 0.00 C ATOM 1412 C LEU A 96 3.981 12.750 -11.846 1.00 0.00 C ATOM 1413 O LEU A 96 3.906 12.836 -10.621 1.00 0.00 O ATOM 1414 CB LEU A 96 2.644 11.937 -13.874 1.00 0.00 C ATOM 1415 CG LEU A 96 1.990 10.786 -14.641 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.934 9.586 -14.738 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.644 10.408 -14.019 1.00 0.00 C ATOM 0 H LEU A 96 1.498 11.183 -11.704 1.00 0.00 H new ATOM 0 HA LEU A 96 4.187 10.907 -12.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.875 12.672 -13.636 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.359 12.427 -14.534 1.00 0.00 H new ATOM 0 HG LEU A 96 1.791 11.122 -15.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.445 8.782 -15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.845 9.881 -15.260 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.186 9.239 -13.736 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.200 9.588 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.795 10.098 -12.985 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.024 11.269 -14.045 1.00 0.00 H new ATOM 1429 N ASP A 97 4.576 13.641 -12.626 1.00 0.00 N ATOM 1430 CA ASP A 97 5.205 14.825 -12.065 1.00 0.00 C ATOM 1431 C ASP A 97 5.255 15.923 -13.130 1.00 0.00 C ATOM 1432 O ASP A 97 5.189 15.637 -14.324 1.00 0.00 O ATOM 1433 CB ASP A 97 6.640 14.529 -11.623 1.00 0.00 C ATOM 1434 CG ASP A 97 7.322 15.657 -10.846 1.00 0.00 C ATOM 1435 OD1 ASP A 97 6.698 16.133 -9.873 1.00 0.00 O ATOM 1436 OD2 ASP A 97 8.452 16.016 -11.241 1.00 0.00 O ATOM 0 H ASP A 97 4.636 13.567 -13.642 1.00 0.00 H new ATOM 0 HA ASP A 97 4.620 15.141 -11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.636 13.632 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.237 14.304 -12.506 1.00 0.00 H new ATOM 1441 N SER A 98 5.370 17.155 -12.658 1.00 0.00 N ATOM 1442 CA SER A 98 5.429 18.297 -13.554 1.00 0.00 C ATOM 1443 C SER A 98 6.802 18.365 -14.226 1.00 0.00 C ATOM 1444 O SER A 98 6.916 18.167 -15.435 1.00 0.00 O ATOM 1445 CB SER A 98 5.140 19.600 -12.806 1.00 0.00 C ATOM 1446 OG SER A 98 4.304 20.474 -13.559 1.00 0.00 O ATOM 0 H SER A 98 5.424 17.388 -11.666 1.00 0.00 H new ATOM 0 HA SER A 98 4.663 18.171 -14.319 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.662 19.373 -11.853 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.080 20.104 -12.579 1.00 0.00 H new ATOM 0 HG SER A 98 4.142 21.293 -13.047 1.00 0.00 H new ATOM 1452 N THR A 99 7.811 18.644 -13.413 1.00 0.00 N ATOM 1453 CA THR A 99 9.171 18.740 -13.914 1.00 0.00 C ATOM 1454 C THR A 99 9.438 17.642 -14.946 1.00 0.00 C ATOM 1455 O THR A 99 8.838 16.570 -14.886 1.00 0.00 O ATOM 1456 CB THR A 99 10.121 18.691 -12.715 1.00 0.00 C ATOM 1457 OG1 THR A 99 9.804 19.866 -11.973 1.00 0.00 O ATOM 1458 CG2 THR A 99 11.583 18.888 -13.119 1.00 0.00 C ATOM 0 H THR A 99 7.713 18.807 -12.411 1.00 0.00 H new ATOM 0 HA THR A 99 9.334 19.682 -14.438 1.00 0.00 H new ATOM 0 HB THR A 99 10.012 17.735 -12.203 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.373 19.913 -11.176 1.00 0.00 H new ATOM 0 HG21 THR A 99 12.215 18.845 -12.232 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.878 18.101 -13.813 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.700 19.859 -13.600 1.00 0.00 H new ATOM 1466 N SER A 100 10.339 17.948 -15.868 1.00 0.00 N ATOM 1467 CA SER A 100 10.693 17.001 -16.911 1.00 0.00 C ATOM 1468 C SER A 100 12.213 16.951 -17.079 1.00 0.00 C ATOM 1469 O SER A 100 12.928 17.801 -16.551 1.00 0.00 O ATOM 1470 CB SER A 100 10.024 17.367 -18.238 1.00 0.00 C ATOM 1471 OG SER A 100 9.163 16.332 -18.705 1.00 0.00 O ATOM 0 H SER A 100 10.834 18.838 -15.914 1.00 0.00 H new ATOM 0 HA SER A 100 10.334 16.016 -16.614 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.452 18.286 -18.114 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.790 17.567 -18.987 1.00 0.00 H new ATOM 0 HG SER A 100 8.754 16.604 -19.553 1.00 0.00 H new ATOM 1477 N SER A 101 12.662 15.946 -17.817 1.00 0.00 N ATOM 1478 CA SER A 101 14.084 15.774 -18.061 1.00 0.00 C ATOM 1479 C SER A 101 14.818 15.543 -16.738 1.00 0.00 C ATOM 1480 O SER A 101 14.679 16.329 -15.802 1.00 0.00 O ATOM 1481 CB SER A 101 14.669 16.987 -18.788 1.00 0.00 C ATOM 1482 OG SER A 101 14.996 16.691 -20.142 1.00 0.00 O ATOM 0 H SER A 101 12.066 15.243 -18.254 1.00 0.00 H new ATOM 0 HA SER A 101 14.218 14.902 -18.701 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.952 17.807 -18.759 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.563 17.327 -18.265 1.00 0.00 H new ATOM 0 HG SER A 101 15.365 17.491 -20.572 1.00 0.00 H new ATOM 1488 N MET A 102 15.583 14.462 -16.704 1.00 0.00 N ATOM 1489 CA MET A 102 16.339 14.118 -15.512 1.00 0.00 C ATOM 1490 C MET A 102 17.217 12.889 -15.755 1.00 0.00 C ATOM 1491 O MET A 102 18.387 12.873 -15.375 1.00 0.00 O ATOM 1492 CB MET A 102 15.374 13.836 -14.359 1.00 0.00 C ATOM 1493 CG MET A 102 15.958 14.308 -13.026 1.00 0.00 C ATOM 1494 SD MET A 102 15.094 15.765 -12.463 1.00 0.00 S ATOM 1495 CE MET A 102 15.620 15.797 -10.757 1.00 0.00 C ATOM 0 H MET A 102 15.696 13.813 -17.483 1.00 0.00 H new ATOM 0 HA MET A 102 16.985 14.959 -15.259 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.425 14.340 -14.543 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.163 12.768 -14.310 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.875 13.516 -12.282 1.00 0.00 H new ATOM 0 HG3 MET A 102 17.020 14.527 -13.142 1.00 0.00 H new ATOM 0 HE1 MET A 102 15.169 16.652 -10.253 1.00 0.00 H new ATOM 0 HE2 MET A 102 15.307 14.878 -10.262 1.00 0.00 H new ATOM 0 HE3 MET A 102 16.706 15.881 -10.713 1.00 0.00 H new ATOM 1505 N HIS A 103 16.619 11.890 -16.386 1.00 0.00 N ATOM 1506 CA HIS A 103 17.333 10.659 -16.685 1.00 0.00 C ATOM 1507 C HIS A 103 17.785 9.999 -15.381 1.00 0.00 C ATOM 1508 O HIS A 103 18.131 10.686 -14.421 1.00 0.00 O ATOM 1509 CB HIS A 103 18.491 10.923 -17.649 1.00 0.00 C ATOM 1510 CG HIS A 103 18.383 10.178 -18.958 1.00 0.00 C ATOM 1511 ND1 HIS A 103 19.252 9.163 -19.316 1.00 0.00 N ATOM 1512 CD2 HIS A 103 17.499 10.310 -19.988 1.00 0.00 C ATOM 1513 CE1 HIS A 103 18.899 8.712 -20.511 1.00 0.00 C ATOM 1514 NE2 HIS A 103 17.812 9.424 -20.926 1.00 0.00 N ATOM 0 H HIS A 103 15.648 11.907 -16.699 1.00 0.00 H new ATOM 0 HA HIS A 103 16.667 9.962 -17.193 1.00 0.00 H new ATOM 0 HB2 HIS A 103 18.542 11.992 -17.855 1.00 0.00 H new ATOM 0 HB3 HIS A 103 19.426 10.647 -17.162 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.683 11.016 -20.033 1.00 0.00 H new ATOM 0 HE1 HIS A 103 19.386 7.920 -21.060 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.321 9.297 -21.811 1.00 0.00 H new ATOM 1522 N ASN A 104 17.768 8.675 -15.389 1.00 0.00 N ATOM 1523 CA ASN A 104 18.172 7.914 -14.219 1.00 0.00 C ATOM 1524 C ASN A 104 19.222 6.878 -14.626 1.00 0.00 C ATOM 1525 O ASN A 104 18.965 6.032 -15.481 1.00 0.00 O ATOM 1526 CB ASN A 104 16.984 7.168 -13.609 1.00 0.00 C ATOM 1527 CG ASN A 104 17.023 7.228 -12.081 1.00 0.00 C ATOM 1528 OD1 ASN A 104 17.407 6.287 -11.406 1.00 0.00 O ATOM 1529 ND2 ASN A 104 16.607 8.386 -11.574 1.00 0.00 N ATOM 0 H ASN A 104 17.481 8.109 -16.187 1.00 0.00 H new ATOM 0 HA ASN A 104 18.574 8.613 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.052 7.604 -13.970 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.997 6.128 -13.936 1.00 0.00 H new ATOM 0 HD21 ASN A 104 16.597 8.526 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.298 9.133 -12.196 1.00 0.00 H new ATOM 1536 N LYS A 105 20.383 6.980 -13.996 1.00 0.00 N ATOM 1537 CA LYS A 105 21.473 6.062 -14.283 1.00 0.00 C ATOM 1538 C LYS A 105 21.320 4.810 -13.417 1.00 0.00 C ATOM 1539 O LYS A 105 21.226 4.904 -12.194 1.00 0.00 O ATOM 1540 CB LYS A 105 22.822 6.764 -14.117 1.00 0.00 C ATOM 1541 CG LYS A 105 23.971 5.856 -14.559 1.00 0.00 C ATOM 1542 CD LYS A 105 25.049 5.769 -13.477 1.00 0.00 C ATOM 1543 CE LYS A 105 24.963 4.440 -12.723 1.00 0.00 C ATOM 1544 NZ LYS A 105 25.538 3.345 -13.536 1.00 0.00 N ATOM 0 H LYS A 105 20.593 7.684 -13.288 1.00 0.00 H new ATOM 0 HA LYS A 105 21.435 5.738 -15.323 1.00 0.00 H new ATOM 0 HB2 LYS A 105 22.833 7.682 -14.704 1.00 0.00 H new ATOM 0 HB3 LYS A 105 22.961 7.051 -13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.588 4.859 -14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.407 6.239 -15.482 1.00 0.00 H new ATOM 0 HD2 LYS A 105 26.035 5.870 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 105 24.934 6.597 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.497 4.517 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.923 4.217 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.472 2.450 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.011 3.262 -14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 26.536 3.553 -13.742 1.00 0.00 H new ATOM 1558 N SER A 106 21.302 3.666 -14.085 1.00 0.00 N ATOM 1559 CA SER A 106 21.163 2.397 -13.392 1.00 0.00 C ATOM 1560 C SER A 106 21.489 1.243 -14.342 1.00 0.00 C ATOM 1561 O SER A 106 20.831 1.074 -15.368 1.00 0.00 O ATOM 1562 CB SER A 106 19.752 2.232 -12.822 1.00 0.00 C ATOM 1563 OG SER A 106 19.731 2.362 -11.403 1.00 0.00 O ATOM 0 H SER A 106 21.381 3.592 -15.099 1.00 0.00 H new ATOM 0 HA SER A 106 21.866 2.384 -12.559 1.00 0.00 H new ATOM 0 HB2 SER A 106 19.093 2.979 -13.264 1.00 0.00 H new ATOM 0 HB3 SER A 106 19.360 1.254 -13.102 1.00 0.00 H new ATOM 0 HG SER A 106 20.172 3.198 -11.145 1.00 0.00 H new ATOM 1569 N GLY A 107 22.505 0.479 -13.968 1.00 0.00 N ATOM 1570 CA GLY A 107 22.926 -0.654 -14.774 1.00 0.00 C ATOM 1571 C GLY A 107 23.624 -1.709 -13.914 1.00 0.00 C ATOM 1572 O GLY A 107 24.256 -1.380 -12.911 1.00 0.00 O ATOM 0 H GLY A 107 23.049 0.623 -13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 107 22.060 -1.096 -15.267 1.00 0.00 H new ATOM 0 HA3 GLY A 107 23.601 -0.315 -15.560 1.00 0.00 H new ATOM 1576 N PRO A 108 23.482 -2.990 -14.348 1.00 0.00 N ATOM 1577 CA PRO A 108 24.091 -4.096 -13.629 1.00 0.00 C ATOM 1578 C PRO A 108 25.600 -4.144 -13.874 1.00 0.00 C ATOM 1579 O PRO A 108 26.106 -3.490 -14.785 1.00 0.00 O ATOM 1580 CB PRO A 108 23.368 -5.336 -14.130 1.00 0.00 C ATOM 1581 CG PRO A 108 22.710 -4.935 -15.439 1.00 0.00 C ATOM 1582 CD PRO A 108 22.740 -3.418 -15.531 1.00 0.00 C ATOM 0 HA PRO A 108 23.990 -4.002 -12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.065 -6.161 -14.280 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.625 -5.674 -13.407 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.238 -5.379 -16.283 1.00 0.00 H new ATOM 0 HG3 PRO A 108 21.683 -5.299 -15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 108 23.229 -3.086 -16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.733 -3.002 -15.539 1.00 0.00 H new ATOM 1590 N SER A 109 26.278 -4.925 -13.045 1.00 0.00 N ATOM 1591 CA SER A 109 27.719 -5.067 -13.159 1.00 0.00 C ATOM 1592 C SER A 109 28.130 -6.506 -12.841 1.00 0.00 C ATOM 1593 O SER A 109 27.935 -6.977 -11.722 1.00 0.00 O ATOM 1594 CB SER A 109 28.444 -4.090 -12.232 1.00 0.00 C ATOM 1595 OG SER A 109 29.204 -3.128 -12.959 1.00 0.00 O ATOM 0 H SER A 109 25.855 -5.466 -12.291 1.00 0.00 H new ATOM 0 HA SER A 109 28.006 -4.833 -14.184 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.715 -3.577 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 109 29.104 -4.645 -11.565 1.00 0.00 H new ATOM 0 HG SER A 109 29.650 -2.522 -12.332 1.00 0.00 H new ATOM 1601 N SER A 110 28.692 -7.163 -13.844 1.00 0.00 N ATOM 1602 CA SER A 110 29.133 -8.538 -13.685 1.00 0.00 C ATOM 1603 C SER A 110 30.239 -8.854 -14.694 1.00 0.00 C ATOM 1604 O SER A 110 30.192 -8.397 -15.835 1.00 0.00 O ATOM 1605 CB SER A 110 27.966 -9.513 -13.854 1.00 0.00 C ATOM 1606 OG SER A 110 28.102 -10.659 -13.018 1.00 0.00 O ATOM 0 H SER A 110 28.852 -6.768 -14.771 1.00 0.00 H new ATOM 0 HA SER A 110 29.527 -8.656 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.031 -9.003 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 110 27.906 -9.829 -14.895 1.00 0.00 H new ATOM 0 HG SER A 110 27.337 -11.256 -13.154 1.00 0.00 H new ATOM 1612 N GLY A 111 31.208 -9.633 -14.236 1.00 0.00 N ATOM 1613 CA GLY A 111 32.324 -10.015 -15.085 1.00 0.00 C ATOM 1614 C GLY A 111 33.634 -10.032 -14.293 1.00 0.00 C ATOM 1615 O GLY A 111 33.928 -9.095 -13.553 1.00 0.00 O ATOM 0 H GLY A 111 31.244 -10.010 -13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 111 32.140 -11.001 -15.512 1.00 0.00 H new ATOM 0 HA3 GLY A 111 32.407 -9.317 -15.918 1.00 0.00 H new TER 1619 GLY A 111