USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1055 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 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 77 GLN : amide:sc= -0.0478 K(o=-0.1,f=-0.61) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.052 X(o=-0.1,f=-0.06) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= -0.0443 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.15) USER MOD Set 4.1: A 37 LYS NZ :NH3+ 173:sc= 2.24 (180deg=1.67) USER MOD Set 4.2: A 117 GLN : amide:sc= 0.577 K(o=2.8,f=-5.5!) USER MOD Single : A 0 MET CE :methyl -130:sc= 0 (180deg=-0.626) USER MOD Single : A 6 ASN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 21 THR OG1 : rot 177:sc= 0.624 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -53:sc= 0.205 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 28 SER OG : rot 130:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 1.15 K(o=1.1,f=-7.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.674 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 66:sc= 0.85 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 134:sc= 0.881 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.552 USER MOD Single : A 56 MET CE :methyl -126:sc=-0.00389 (180deg=-0.152) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 2.38 (180deg=1.67) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 MET CE :methyl 177:sc=-0.00919 (180deg=-0.0272) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 1.3 K(o=1.3,f=-4.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -0.254 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl -138:sc= 0 (180deg=-0.00809) USER MOD Single : A -11 MET N :NH3+ -111:sc= 0.0225 (180deg=-0.000767) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0205 K(o=-0.02,f=-2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -14:sc= 1.51 USER MOD Single : A 108 MET CE :methyl -177:sc= -0.273 (180deg=-0.278) USER MOD Single : A 109 MET CE :methyl -128:sc= -0.292 (180deg=-0.356) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -170:sc= -0.24 (180deg=-0.508) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.155 K(o=0.15,f=-5.4!) USER MOD Single : A 118 MET CE :methyl 178:sc= 0 (180deg=-0.00381) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 1.367 -1.436 21.994 1.00 0.00 N ATOM 2 CA MET A -11 2.072 -1.405 20.684 1.00 0.00 C ATOM 3 C MET A -11 1.093 -1.628 19.526 1.00 0.00 C ATOM 4 O MET A -11 0.147 -2.406 19.683 1.00 0.00 O ATOM 5 CB MET A -11 3.223 -2.431 20.609 1.00 0.00 C ATOM 6 CG MET A -11 4.384 -2.104 21.561 1.00 0.00 C ATOM 7 SD MET A -11 5.166 -0.481 21.320 1.00 0.00 S ATOM 8 CE MET A -11 6.118 -0.787 19.804 1.00 0.00 C ATOM 0 H1 MET A -11 1.366 -0.483 22.410 1.00 0.00 H new ATOM 0 H2 MET A -11 0.387 -1.753 21.853 1.00 0.00 H new ATOM 0 H3 MET A -11 1.855 -2.093 22.635 1.00 0.00 H new ATOM 0 HA MET A -11 2.511 -0.411 20.593 1.00 0.00 H new ATOM 0 HB2 MET A -11 2.835 -3.422 20.846 1.00 0.00 H new ATOM 0 HB3 MET A -11 3.599 -2.472 19.587 1.00 0.00 H new ATOM 0 HG2 MET A -11 4.017 -2.162 22.586 1.00 0.00 H new ATOM 0 HG3 MET A -11 5.147 -2.875 21.452 1.00 0.00 H new ATOM 0 HE1 MET A -11 7.105 -0.333 19.896 1.00 0.00 H new ATOM 0 HE2 MET A -11 6.226 -1.861 19.653 1.00 0.00 H new ATOM 0 HE3 MET A -11 5.596 -0.351 18.952 1.00 0.00 H new ATOM 20 N PRO A -10 1.289 -0.972 18.363 1.00 0.00 N ATOM 21 CA PRO A -10 0.453 -1.168 17.174 1.00 0.00 C ATOM 22 C PRO A -10 0.623 -2.566 16.551 1.00 0.00 C ATOM 23 O PRO A -10 1.630 -3.246 16.772 1.00 0.00 O ATOM 24 CB PRO A -10 0.866 -0.054 16.205 1.00 0.00 C ATOM 25 CG PRO A -10 2.331 0.189 16.558 1.00 0.00 C ATOM 26 CD PRO A -10 2.347 -0.008 18.074 1.00 0.00 C ATOM 0 HA PRO A -10 -0.606 -1.115 17.426 1.00 0.00 H new ATOM 0 HB2 PRO A -10 0.748 -0.360 15.166 1.00 0.00 H new ATOM 0 HB3 PRO A -10 0.264 0.844 16.344 1.00 0.00 H new ATOM 0 HG2 PRO A -10 2.992 -0.514 16.051 1.00 0.00 H new ATOM 0 HG3 PRO A -10 2.655 1.191 16.276 1.00 0.00 H new ATOM 0 HD2 PRO A -10 3.316 -0.379 18.410 1.00 0.00 H new ATOM 0 HD3 PRO A -10 2.169 0.934 18.592 1.00 0.00 H new ATOM 34 N ARG A -9 -0.364 -2.985 15.745 1.00 0.00 N ATOM 35 CA ARG A -9 -0.435 -4.310 15.088 1.00 0.00 C ATOM 36 C ARG A -9 -0.678 -4.285 13.574 1.00 0.00 C ATOM 37 O ARG A -9 -0.743 -5.348 12.960 1.00 0.00 O ATOM 38 CB ARG A -9 -1.444 -5.222 15.815 1.00 0.00 C ATOM 39 CG ARG A -9 -0.971 -5.622 17.221 1.00 0.00 C ATOM 40 CD ARG A -9 -1.861 -6.736 17.782 1.00 0.00 C ATOM 41 NE ARG A -9 -1.430 -7.150 19.130 1.00 0.00 N ATOM 42 CZ ARG A -9 -0.602 -8.135 19.437 1.00 0.00 C ATOM 43 NH1 ARG A -9 0.034 -8.835 18.541 1.00 0.00 N ATOM 44 NH2 ARG A -9 -0.389 -8.440 20.686 1.00 0.00 N ATOM 0 H ARG A -9 -1.165 -2.394 15.521 1.00 0.00 H new ATOM 0 HA ARG A -9 0.567 -4.729 15.182 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -2.403 -4.709 15.890 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -1.609 -6.121 15.221 1.00 0.00 H new ATOM 0 HG2 ARG A -9 0.065 -5.959 17.182 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -1.000 -4.756 17.882 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -2.895 -6.392 17.820 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -1.835 -7.595 17.112 1.00 0.00 H new ATOM 0 HE ARG A -9 -1.812 -6.618 19.912 1.00 0.00 H new ATOM 0 HH11 ARG A -9 -0.096 -8.633 17.550 1.00 0.00 H new ATOM 0 HH12 ARG A -9 0.662 -9.585 18.831 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -0.861 -7.919 21.426 1.00 0.00 H new ATOM 0 HH22 ARG A -9 0.249 -9.199 20.924 1.00 0.00 H new ATOM 58 N PHE A -8 -0.756 -3.109 12.947 1.00 0.00 N ATOM 59 CA PHE A -8 -0.923 -2.984 11.492 1.00 0.00 C ATOM 60 C PHE A -8 -0.047 -3.882 10.599 1.00 0.00 C ATOM 61 O PHE A -8 -0.547 -4.580 9.714 1.00 0.00 O ATOM 62 CB PHE A -8 -0.911 -1.508 11.057 1.00 0.00 C ATOM 63 CG PHE A -8 -0.600 -1.331 9.582 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.610 -1.534 8.624 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.730 -1.121 9.166 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.284 -1.562 7.257 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.055 -1.163 7.800 1.00 0.00 C ATOM 68 CZ PHE A -8 0.050 -1.396 6.847 1.00 0.00 C ATOM 0 H PHE A -8 -0.705 -2.213 13.432 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.913 -3.401 11.309 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.881 -1.062 11.275 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.172 -0.966 11.647 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.634 -1.668 8.938 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.500 -0.928 9.898 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.060 -1.711 6.521 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.077 -1.016 7.483 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.303 -1.448 5.798 1.00 0.00 H new ATOM 78 N TRP A -7 1.263 -3.906 10.865 1.00 0.00 N ATOM 79 CA TRP A -7 2.215 -4.686 10.068 1.00 0.00 C ATOM 80 C TRP A -7 2.009 -6.205 10.184 1.00 0.00 C ATOM 81 O TRP A -7 2.247 -6.929 9.222 1.00 0.00 O ATOM 82 CB TRP A -7 3.646 -4.260 10.415 1.00 0.00 C ATOM 83 CG TRP A -7 4.730 -5.014 9.703 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.304 -6.156 10.149 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.173 -4.872 8.315 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.145 -6.669 9.181 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.088 -5.930 8.020 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.904 -3.952 7.275 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.709 -6.065 6.769 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.536 -4.071 6.020 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.432 -5.122 5.765 1.00 0.00 C ATOM 0 H TRP A -7 1.691 -3.389 11.633 1.00 0.00 H new ATOM 0 HA TRP A -7 2.028 -4.464 9.017 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.756 -3.199 10.190 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.791 -4.375 11.489 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.130 -6.600 11.118 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.734 -7.492 9.310 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.205 -3.147 7.444 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.390 -6.882 6.581 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.329 -3.346 5.247 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.907 -5.205 4.799 1.00 0.00 H new ATOM 102 N GLU A -6 1.487 -6.700 11.312 1.00 0.00 N ATOM 103 CA GLU A -6 1.132 -8.119 11.485 1.00 0.00 C ATOM 104 C GLU A -6 -0.005 -8.534 10.530 1.00 0.00 C ATOM 105 O GLU A -6 0.009 -9.641 9.987 1.00 0.00 O ATOM 106 CB GLU A -6 0.726 -8.402 12.945 1.00 0.00 C ATOM 107 CG GLU A -6 1.824 -8.030 13.957 1.00 0.00 C ATOM 108 CD GLU A -6 1.466 -8.359 15.422 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.280 -8.589 15.761 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.391 -8.369 16.269 1.00 0.00 O ATOM 0 H GLU A -6 1.297 -6.128 12.135 1.00 0.00 H new ATOM 0 HA GLU A -6 2.014 -8.712 11.241 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.180 -7.844 13.179 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.485 -9.460 13.051 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.741 -8.555 13.691 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.032 -6.963 13.876 1.00 0.00 H new ATOM 117 N TYR A -5 -0.952 -7.624 10.270 1.00 0.00 N ATOM 118 CA TYR A -5 -1.965 -7.770 9.222 1.00 0.00 C ATOM 119 C TYR A -5 -1.453 -7.646 7.783 1.00 0.00 C ATOM 120 O TYR A -5 -1.799 -8.447 6.913 1.00 0.00 O ATOM 121 CB TYR A -5 -3.171 -6.861 9.491 1.00 0.00 C ATOM 122 CG TYR A -5 -4.066 -7.364 10.601 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.051 -8.326 10.316 1.00 0.00 C ATOM 124 CD2 TYR A -5 -3.894 -6.893 11.917 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.868 -8.823 11.347 1.00 0.00 C ATOM 126 CE2 TYR A -5 -4.709 -7.390 12.952 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.700 -8.357 12.670 1.00 0.00 C ATOM 128 OH TYR A -5 -6.486 -8.830 13.676 1.00 0.00 O ATOM 0 H TYR A -5 -1.036 -6.752 10.792 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.287 -8.809 9.287 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.815 -5.863 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.757 -6.767 8.577 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.180 -8.683 9.305 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.138 -6.152 12.132 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.625 -9.562 11.127 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.577 -7.032 13.962 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.231 -8.401 14.519 1.00 0.00 H new ATOM 138 N TRP A -4 -0.586 -6.659 7.542 1.00 0.00 N ATOM 139 CA TRP A -4 0.010 -6.392 6.229 1.00 0.00 C ATOM 140 C TRP A -4 0.939 -7.530 5.787 1.00 0.00 C ATOM 141 O TRP A -4 0.947 -7.902 4.616 1.00 0.00 O ATOM 142 CB TRP A -4 0.783 -5.073 6.316 1.00 0.00 C ATOM 143 CG TRP A -4 1.123 -4.497 4.984 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.237 -4.758 4.262 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.212 -3.815 4.070 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.121 -4.169 3.019 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.882 -3.600 2.832 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.125 -3.375 4.165 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.270 -2.953 1.748 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.755 -2.737 3.082 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.062 -2.520 1.878 1.00 0.00 C ATOM 0 H TRP A -4 -0.273 -6.012 8.266 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.781 -6.322 5.483 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.190 -4.349 6.876 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.702 -5.236 6.879 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.083 -5.336 4.604 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.865 -4.157 2.322 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.673 -3.530 5.083 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.813 -2.790 0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.780 -2.411 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.552 -2.022 1.054 1.00 0.00 H new ATOM 162 N LEU A -3 1.663 -8.161 6.715 1.00 0.00 N ATOM 163 CA LEU A -3 2.510 -9.317 6.432 1.00 0.00 C ATOM 164 C LEU A -3 1.721 -10.493 5.829 1.00 0.00 C ATOM 165 O LEU A -3 2.248 -11.200 4.972 1.00 0.00 O ATOM 166 CB LEU A -3 3.236 -9.705 7.734 1.00 0.00 C ATOM 167 CG LEU A -3 4.285 -10.820 7.576 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.452 -10.353 6.704 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.836 -11.200 8.950 1.00 0.00 C ATOM 0 H LEU A -3 1.676 -7.878 7.695 1.00 0.00 H new ATOM 0 HA LEU A -3 3.242 -9.052 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.725 -8.819 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.494 -10.023 8.467 1.00 0.00 H new ATOM 0 HG LEU A -3 3.801 -11.675 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.180 -11.159 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.081 -10.079 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.928 -9.488 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.579 -11.990 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.300 -10.328 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.022 -11.554 9.583 1.00 0.00 H new ATOM 181 N ARG A -2 0.443 -10.672 6.201 1.00 0.00 N ATOM 182 CA ARG A -2 -0.429 -11.737 5.680 1.00 0.00 C ATOM 183 C ARG A -2 -0.876 -11.509 4.229 1.00 0.00 C ATOM 184 O ARG A -2 -1.275 -12.466 3.572 1.00 0.00 O ATOM 185 CB ARG A -2 -1.595 -11.953 6.664 1.00 0.00 C ATOM 186 CG ARG A -2 -2.547 -13.110 6.317 1.00 0.00 C ATOM 187 CD ARG A -2 -1.843 -14.467 6.152 1.00 0.00 C ATOM 188 NE ARG A -2 -2.822 -15.555 5.956 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.662 -16.670 5.266 1.00 0.00 C ATOM 190 NH1 ARG A -2 -1.574 -16.954 4.607 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.620 -17.553 5.226 1.00 0.00 N ATOM 0 H ARG A -2 -0.020 -10.071 6.883 1.00 0.00 H new ATOM 0 HA ARG A -2 0.146 -12.661 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.182 -12.131 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.175 -11.032 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.300 -13.195 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -3.073 -12.870 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -1.164 -14.427 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.236 -14.675 7.033 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.729 -15.431 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -0.792 -16.299 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -1.505 -17.831 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -4.492 -17.383 5.727 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.498 -18.414 4.694 1.00 0.00 H new ATOM 205 N LEU A -1 -0.761 -10.289 3.693 1.00 0.00 N ATOM 206 CA LEU A -1 -0.916 -10.046 2.251 1.00 0.00 C ATOM 207 C LEU A -1 0.255 -10.670 1.483 1.00 0.00 C ATOM 208 O LEU A -1 0.053 -11.339 0.470 1.00 0.00 O ATOM 209 CB LEU A -1 -0.918 -8.538 1.957 1.00 0.00 C ATOM 210 CG LEU A -1 -2.191 -7.787 2.353 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.879 -6.299 2.287 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.335 -8.078 1.381 1.00 0.00 C ATOM 0 H LEU A -1 -0.560 -9.450 4.237 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.860 -10.491 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.074 -8.084 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.750 -8.394 0.890 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.498 -8.102 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.766 -5.729 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.068 -6.066 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.579 -6.035 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.224 -7.529 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.048 -7.766 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.550 -9.147 1.381 1.00 0.00 H new ATOM 224 N MET A 0 1.479 -10.440 1.964 1.00 0.00 N ATOM 225 CA MET A 0 2.704 -10.855 1.277 1.00 0.00 C ATOM 226 C MET A 0 2.977 -12.355 1.477 1.00 0.00 C ATOM 227 O MET A 0 3.339 -13.062 0.539 1.00 0.00 O ATOM 228 CB MET A 0 3.891 -10.009 1.759 1.00 0.00 C ATOM 229 CG MET A 0 3.574 -8.509 1.752 1.00 0.00 C ATOM 230 SD MET A 0 4.979 -7.422 1.424 1.00 0.00 S ATOM 231 CE MET A 0 6.036 -7.712 2.853 1.00 0.00 C ATOM 0 H MET A 0 1.649 -9.958 2.847 1.00 0.00 H new ATOM 0 HA MET A 0 2.570 -10.690 0.208 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.167 -10.315 2.768 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.754 -10.199 1.120 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.807 -8.320 1.001 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.146 -8.241 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.329 -6.757 3.289 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.493 -8.298 3.594 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.927 -8.257 2.542 1.00 0.00 H new ATOM 241 N GLU A 1 2.733 -12.853 2.691 1.00 0.00 N ATOM 242 CA GLU A 1 2.706 -14.274 3.068 1.00 0.00 C ATOM 243 C GLU A 1 1.279 -14.855 2.911 1.00 0.00 C ATOM 244 O GLU A 1 0.774 -15.575 3.779 1.00 0.00 O ATOM 245 CB GLU A 1 3.270 -14.446 4.497 1.00 0.00 C ATOM 246 CG GLU A 1 4.650 -13.800 4.744 1.00 0.00 C ATOM 247 CD GLU A 1 5.785 -14.298 3.824 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.682 -15.390 3.216 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.816 -13.590 3.714 1.00 0.00 O ATOM 0 H GLU A 1 2.537 -12.243 3.485 1.00 0.00 H new ATOM 0 HA GLU A 1 3.346 -14.844 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.557 -14.023 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.342 -15.511 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.554 -12.721 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.938 -13.981 5.780 1.00 0.00 H new ATOM 256 N GLY A 2 0.596 -14.473 1.825 1.00 0.00 N ATOM 257 CA GLY A 2 -0.813 -14.765 1.534 1.00 0.00 C ATOM 258 C GLY A 2 -1.011 -15.616 0.276 1.00 0.00 C ATOM 259 O GLY A 2 -0.423 -16.693 0.142 1.00 0.00 O ATOM 0 H GLY A 2 1.035 -13.923 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.253 -15.283 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.354 -13.826 1.417 1.00 0.00 H new ATOM 263 N GLY A 3 -1.858 -15.140 -0.642 1.00 0.00 N ATOM 264 CA GLY A 3 -2.235 -15.852 -1.871 1.00 0.00 C ATOM 265 C GLY A 3 -3.156 -17.056 -1.628 1.00 0.00 C ATOM 266 O GLY A 3 -3.797 -17.165 -0.577 1.00 0.00 O ATOM 0 H GLY A 3 -2.311 -14.231 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.732 -15.156 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.331 -16.193 -2.375 1.00 0.00 H new ATOM 270 N GLY A 4 -3.254 -17.955 -2.611 1.00 0.00 N ATOM 271 CA GLY A 4 -4.137 -19.128 -2.551 1.00 0.00 C ATOM 272 C GLY A 4 -5.613 -18.731 -2.444 1.00 0.00 C ATOM 273 O GLY A 4 -6.112 -17.932 -3.238 1.00 0.00 O ATOM 0 H GLY A 4 -2.720 -17.891 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.990 -19.739 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.864 -19.744 -1.694 1.00 0.00 H new ATOM 277 N GLU A 5 -6.313 -19.243 -1.432 1.00 0.00 N ATOM 278 CA GLU A 5 -7.720 -18.930 -1.136 1.00 0.00 C ATOM 279 C GLU A 5 -7.984 -17.443 -0.807 1.00 0.00 C ATOM 280 O GLU A 5 -9.135 -17.001 -0.844 1.00 0.00 O ATOM 281 CB GLU A 5 -8.218 -19.819 0.022 1.00 0.00 C ATOM 282 CG GLU A 5 -8.249 -21.327 -0.296 1.00 0.00 C ATOM 283 CD GLU A 5 -6.910 -22.083 -0.119 1.00 0.00 C ATOM 284 OE1 GLU A 5 -5.867 -21.474 0.225 1.00 0.00 O ATOM 285 OE2 GLU A 5 -6.899 -23.320 -0.330 1.00 0.00 O ATOM 0 H GLU A 5 -5.909 -19.908 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.275 -19.138 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.578 -19.657 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.222 -19.499 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.997 -21.798 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.583 -21.455 -1.326 1.00 0.00 H new ATOM 292 N ASN A 6 -6.940 -16.653 -0.517 1.00 0.00 N ATOM 293 CA ASN A 6 -7.031 -15.200 -0.319 1.00 0.00 C ATOM 294 C ASN A 6 -7.189 -14.400 -1.635 1.00 0.00 C ATOM 295 O ASN A 6 -7.456 -13.198 -1.584 1.00 0.00 O ATOM 296 CB ASN A 6 -5.801 -14.719 0.474 1.00 0.00 C ATOM 297 CG ASN A 6 -5.674 -15.378 1.837 1.00 0.00 C ATOM 298 OD1 ASN A 6 -6.353 -15.024 2.790 1.00 0.00 O ATOM 299 ND2 ASN A 6 -4.781 -16.330 1.984 1.00 0.00 N ATOM 0 H ASN A 6 -5.992 -17.013 -0.412 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.943 -15.008 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.901 -14.922 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.860 -13.638 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.654 -16.774 2.893 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.215 -16.625 1.189 1.00 0.00 H new ATOM 306 N LEU A 7 -7.010 -15.030 -2.804 1.00 0.00 N ATOM 307 CA LEU A 7 -7.172 -14.409 -4.126 1.00 0.00 C ATOM 308 C LEU A 7 -8.631 -13.981 -4.405 1.00 0.00 C ATOM 309 O LEU A 7 -9.580 -14.565 -3.877 1.00 0.00 O ATOM 310 CB LEU A 7 -6.630 -15.389 -5.191 1.00 0.00 C ATOM 311 CG LEU A 7 -6.610 -14.882 -6.647 1.00 0.00 C ATOM 312 CD1 LEU A 7 -5.646 -13.708 -6.835 1.00 0.00 C ATOM 313 CD2 LEU A 7 -6.170 -16.004 -7.586 1.00 0.00 C ATOM 0 H LEU A 7 -6.741 -16.012 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.598 -13.483 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.613 -15.667 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.230 -16.298 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.622 -14.551 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.665 -13.384 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.949 -12.882 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.636 -14.021 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.159 -15.636 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.170 -16.339 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.867 -16.839 -7.507 1.00 0.00 H new ATOM 325 N TYR A 8 -8.816 -12.972 -5.261 1.00 0.00 N ATOM 326 CA TYR A 8 -10.125 -12.548 -5.769 1.00 0.00 C ATOM 327 C TYR A 8 -10.966 -13.591 -6.531 1.00 0.00 C ATOM 328 O TYR A 8 -10.425 -14.413 -7.274 1.00 0.00 O ATOM 329 CB TYR A 8 -10.033 -11.201 -6.508 1.00 0.00 C ATOM 330 CG TYR A 8 -8.841 -11.086 -7.444 1.00 0.00 C ATOM 331 CD1 TYR A 8 -8.869 -11.745 -8.687 1.00 0.00 C ATOM 332 CD2 TYR A 8 -7.697 -10.357 -7.064 1.00 0.00 C ATOM 333 CE1 TYR A 8 -7.757 -11.683 -9.546 1.00 0.00 C ATOM 334 CE2 TYR A 8 -6.587 -10.278 -7.930 1.00 0.00 C ATOM 335 CZ TYR A 8 -6.615 -10.944 -9.175 1.00 0.00 C ATOM 336 OH TYR A 8 -5.542 -10.877 -10.010 1.00 0.00 O ATOM 0 H TYR A 8 -8.044 -12.415 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.713 -12.417 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.947 -11.051 -7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.982 -10.398 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.747 -12.300 -8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.670 -9.857 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.778 -12.203 -10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.716 -9.709 -7.641 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.843 -10.326 -9.600 1.00 0.00 H new ATOM 346 N PHE A 9 -12.295 -13.517 -6.380 1.00 0.00 N ATOM 347 CA PHE A 9 -13.283 -14.369 -7.065 1.00 0.00 C ATOM 348 C PHE A 9 -14.158 -13.715 -8.154 1.00 0.00 C ATOM 349 O PHE A 9 -14.959 -14.384 -8.811 1.00 0.00 O ATOM 350 CB PHE A 9 -14.044 -15.242 -6.051 1.00 0.00 C ATOM 351 CG PHE A 9 -13.232 -16.408 -5.515 1.00 0.00 C ATOM 352 CD1 PHE A 9 -13.230 -17.643 -6.193 1.00 0.00 C ATOM 353 CD2 PHE A 9 -12.460 -16.256 -4.346 1.00 0.00 C ATOM 354 CE1 PHE A 9 -12.466 -18.718 -5.703 1.00 0.00 C ATOM 355 CE2 PHE A 9 -11.693 -17.329 -3.858 1.00 0.00 C ATOM 356 CZ PHE A 9 -11.697 -18.562 -4.536 1.00 0.00 C ATOM 0 H PHE A 9 -12.730 -12.838 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 9 -12.690 -15.029 -7.698 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -14.362 -14.618 -5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -14.948 -15.627 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -13.817 -17.765 -7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -12.457 -15.311 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.470 -19.664 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.101 -17.207 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.110 -19.387 -4.161 1.00 0.00 H new ATOM 366 N GLN A 10 -13.991 -12.403 -8.352 1.00 0.00 N ATOM 367 CA GLN A 10 -14.704 -11.561 -9.325 1.00 0.00 C ATOM 368 C GLN A 10 -13.763 -10.497 -9.925 1.00 0.00 C ATOM 369 O GLN A 10 -12.698 -10.209 -9.368 1.00 0.00 O ATOM 370 CB GLN A 10 -15.923 -10.885 -8.664 1.00 0.00 C ATOM 371 CG GLN A 10 -16.992 -11.874 -8.166 1.00 0.00 C ATOM 372 CD GLN A 10 -18.250 -11.163 -7.667 1.00 0.00 C ATOM 373 OE1 GLN A 10 -18.446 -10.942 -6.478 1.00 0.00 O ATOM 374 NE2 GLN A 10 -19.063 -10.617 -8.549 1.00 0.00 N ATOM 0 H GLN A 10 -13.316 -11.867 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.056 -12.202 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.580 -10.282 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.380 -10.202 -9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.258 -12.555 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.576 -12.481 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.922 -10.785 -9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -19.833 -10.026 -8.235 1.00 0.00 H new ATOM 383 N GLY A 11 -14.156 -9.890 -11.050 1.00 0.00 N ATOM 384 CA GLY A 11 -13.360 -8.877 -11.753 1.00 0.00 C ATOM 385 C GLY A 11 -12.241 -9.501 -12.593 1.00 0.00 C ATOM 386 O GLY A 11 -12.511 -10.132 -13.619 1.00 0.00 O ATOM 0 H GLY A 11 -15.047 -10.091 -11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.012 -8.289 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.927 -8.190 -11.027 1.00 0.00 H new ATOM 390 N MET A 12 -10.984 -9.311 -12.178 1.00 0.00 N ATOM 391 CA MET A 12 -9.800 -9.845 -12.869 1.00 0.00 C ATOM 392 C MET A 12 -9.736 -11.384 -12.854 1.00 0.00 C ATOM 393 O MET A 12 -10.202 -12.039 -11.917 1.00 0.00 O ATOM 394 CB MET A 12 -8.513 -9.255 -12.268 1.00 0.00 C ATOM 395 CG MET A 12 -8.428 -7.733 -12.425 1.00 0.00 C ATOM 396 SD MET A 12 -6.818 -7.045 -11.952 1.00 0.00 S ATOM 397 CE MET A 12 -7.251 -5.288 -11.851 1.00 0.00 C ATOM 0 H MET A 12 -10.755 -8.775 -11.341 1.00 0.00 H new ATOM 0 HA MET A 12 -9.888 -9.542 -13.912 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.462 -9.510 -11.209 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.649 -9.714 -12.749 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.636 -7.471 -13.462 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.205 -7.269 -11.817 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.370 -4.712 -11.569 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.613 -4.946 -12.821 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.031 -5.148 -11.103 1.00 0.00 H new ATOM 407 N SER A 13 -9.125 -11.966 -13.889 1.00 0.00 N ATOM 408 CA SER A 13 -8.808 -13.399 -13.979 1.00 0.00 C ATOM 409 C SER A 13 -7.594 -13.798 -13.120 1.00 0.00 C ATOM 410 O SER A 13 -6.804 -12.950 -12.689 1.00 0.00 O ATOM 411 CB SER A 13 -8.592 -13.792 -15.448 1.00 0.00 C ATOM 412 OG SER A 13 -7.546 -13.031 -16.036 1.00 0.00 O ATOM 0 H SER A 13 -8.828 -11.441 -14.712 1.00 0.00 H new ATOM 0 HA SER A 13 -9.660 -13.947 -13.576 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.353 -14.854 -15.512 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.515 -13.639 -16.007 1.00 0.00 H new ATOM 0 HG SER A 13 -7.429 -13.303 -16.970 1.00 0.00 H new ATOM 418 N VAL A 14 -7.435 -15.104 -12.867 1.00 0.00 N ATOM 419 CA VAL A 14 -6.300 -15.678 -12.115 1.00 0.00 C ATOM 420 C VAL A 14 -4.957 -15.308 -12.781 1.00 0.00 C ATOM 421 O VAL A 14 -4.826 -15.493 -13.998 1.00 0.00 O ATOM 422 CB VAL A 14 -6.440 -17.211 -11.979 1.00 0.00 C ATOM 423 CG1 VAL A 14 -5.337 -17.845 -11.123 1.00 0.00 C ATOM 424 CG2 VAL A 14 -7.791 -17.607 -11.362 1.00 0.00 C ATOM 0 H VAL A 14 -8.102 -15.808 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.313 -15.250 -11.113 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.359 -17.587 -12.999 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.494 -18.922 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.365 -17.642 -11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.367 -17.422 -10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.851 -18.692 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.881 -17.166 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.601 -17.244 -11.995 1.00 0.00 H new ATOM 434 N PRO A 15 -3.959 -14.785 -12.037 1.00 0.00 N ATOM 435 CA PRO A 15 -2.711 -14.284 -12.615 1.00 0.00 C ATOM 436 C PRO A 15 -1.854 -15.389 -13.258 1.00 0.00 C ATOM 437 O PRO A 15 -1.750 -16.509 -12.747 1.00 0.00 O ATOM 438 CB PRO A 15 -1.977 -13.574 -11.471 1.00 0.00 C ATOM 439 CG PRO A 15 -2.517 -14.262 -10.218 1.00 0.00 C ATOM 440 CD PRO A 15 -3.964 -14.566 -10.597 1.00 0.00 C ATOM 0 HA PRO A 15 -2.920 -13.603 -13.440 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.896 -13.687 -11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.186 -12.504 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.961 -15.170 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.455 -13.615 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.330 -15.446 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.621 -13.738 -10.330 1.00 0.00 H new ATOM 448 N THR A 16 -1.219 -15.054 -14.382 1.00 0.00 N ATOM 449 CA THR A 16 -0.335 -15.929 -15.174 1.00 0.00 C ATOM 450 C THR A 16 0.962 -16.391 -14.495 1.00 0.00 C ATOM 451 O THR A 16 1.512 -15.680 -13.650 1.00 0.00 O ATOM 452 CB THR A 16 -0.047 -15.346 -16.578 1.00 0.00 C ATOM 453 OG1 THR A 16 -1.069 -14.456 -16.995 1.00 0.00 O ATOM 454 CG2 THR A 16 0.096 -16.413 -17.667 1.00 0.00 C ATOM 0 H THR A 16 -1.307 -14.123 -14.789 1.00 0.00 H new ATOM 0 HA THR A 16 -0.923 -16.841 -15.272 1.00 0.00 H new ATOM 0 HB THR A 16 0.904 -14.825 -16.464 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.854 -14.105 -17.885 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.297 -15.931 -18.624 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.921 -17.080 -17.416 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.828 -16.988 -17.737 1.00 0.00 H new ATOM 462 N ASP A 17 1.488 -17.558 -14.885 1.00 0.00 N ATOM 463 CA ASP A 17 2.830 -18.019 -14.494 1.00 0.00 C ATOM 464 C ASP A 17 3.985 -17.082 -14.911 1.00 0.00 C ATOM 465 O ASP A 17 3.884 -16.367 -15.914 1.00 0.00 O ATOM 466 CB ASP A 17 3.077 -19.469 -14.955 1.00 0.00 C ATOM 467 CG ASP A 17 2.318 -20.552 -14.162 1.00 0.00 C ATOM 468 OD1 ASP A 17 1.748 -20.272 -13.080 1.00 0.00 O ATOM 469 OD2 ASP A 17 2.311 -21.720 -14.623 1.00 0.00 O ATOM 0 H ASP A 17 0.992 -18.216 -15.486 1.00 0.00 H new ATOM 0 HA ASP A 17 2.835 -17.992 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.800 -19.551 -16.006 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.145 -19.676 -14.890 1.00 0.00 H new ATOM 474 N GLY A 18 5.086 -17.082 -14.152 1.00 0.00 N ATOM 475 CA GLY A 18 6.204 -16.149 -14.344 1.00 0.00 C ATOM 476 C GLY A 18 7.454 -16.500 -13.531 1.00 0.00 C ATOM 477 O GLY A 18 7.881 -17.657 -13.501 1.00 0.00 O ATOM 0 H GLY A 18 5.228 -17.734 -13.381 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.466 -16.124 -15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.877 -15.145 -14.073 1.00 0.00 H new ATOM 481 N ALA A 19 8.042 -15.490 -12.886 1.00 0.00 N ATOM 482 CA ALA A 19 9.313 -15.516 -12.161 1.00 0.00 C ATOM 483 C ALA A 19 10.515 -15.964 -13.019 1.00 0.00 C ATOM 484 O ALA A 19 11.170 -15.121 -13.636 1.00 0.00 O ATOM 485 CB ALA A 19 9.154 -16.249 -10.818 1.00 0.00 C ATOM 0 H ALA A 19 7.611 -14.566 -12.855 1.00 0.00 H new ATOM 0 HA ALA A 19 9.578 -14.487 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.109 -16.258 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.410 -15.735 -10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.830 -17.274 -10.999 1.00 0.00 H new ATOM 491 N VAL A 20 10.836 -17.265 -13.044 1.00 0.00 N ATOM 492 CA VAL A 20 12.065 -17.820 -13.660 1.00 0.00 C ATOM 493 C VAL A 20 13.381 -17.216 -13.123 1.00 0.00 C ATOM 494 O VAL A 20 14.401 -17.135 -13.811 1.00 0.00 O ATOM 495 CB VAL A 20 11.996 -17.957 -15.205 1.00 0.00 C ATOM 496 CG1 VAL A 20 12.805 -19.169 -15.696 1.00 0.00 C ATOM 497 CG2 VAL A 20 10.571 -18.122 -15.758 1.00 0.00 C ATOM 0 H VAL A 20 10.241 -17.982 -12.630 1.00 0.00 H new ATOM 0 HA VAL A 20 12.097 -18.851 -13.307 1.00 0.00 H new ATOM 0 HB VAL A 20 12.410 -17.018 -15.573 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.736 -19.237 -16.782 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.849 -19.052 -15.405 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.404 -20.079 -15.250 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.610 -18.211 -16.844 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.119 -19.020 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.972 -17.252 -15.487 1.00 0.00 H new ATOM 507 N THR A 21 13.335 -16.726 -11.882 1.00 0.00 N ATOM 508 CA THR A 21 14.410 -16.008 -11.177 1.00 0.00 C ATOM 509 C THR A 21 15.437 -17.025 -10.649 1.00 0.00 C ATOM 510 O THR A 21 15.160 -18.221 -10.496 1.00 0.00 O ATOM 511 CB THR A 21 13.806 -15.244 -9.978 1.00 0.00 C ATOM 512 OG1 THR A 21 12.789 -15.994 -9.341 1.00 0.00 O ATOM 513 CG2 THR A 21 13.167 -13.941 -10.458 1.00 0.00 C ATOM 0 H THR A 21 12.500 -16.823 -11.305 1.00 0.00 H new ATOM 0 HA THR A 21 14.894 -15.310 -11.860 1.00 0.00 H new ATOM 0 HB THR A 21 14.621 -15.056 -9.279 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.459 -15.501 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.743 -13.408 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.924 -13.319 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.377 -14.166 -11.175 1.00 0.00 H new ATOM 521 N THR A 22 16.653 -16.543 -10.366 1.00 0.00 N ATOM 522 CA THR A 22 17.743 -17.349 -9.785 1.00 0.00 C ATOM 523 C THR A 22 17.487 -17.901 -8.375 1.00 0.00 C ATOM 524 O THR A 22 16.666 -17.369 -7.623 1.00 0.00 O ATOM 525 CB THR A 22 19.107 -16.649 -9.920 1.00 0.00 C ATOM 526 OG1 THR A 22 20.132 -17.618 -9.858 1.00 0.00 O ATOM 527 CG2 THR A 22 19.392 -15.624 -8.822 1.00 0.00 C ATOM 0 H THR A 22 16.915 -15.572 -10.534 1.00 0.00 H new ATOM 0 HA THR A 22 17.770 -18.250 -10.398 1.00 0.00 H new ATOM 0 HB THR A 22 19.078 -16.121 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 22 21.003 -17.178 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.371 -15.176 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.628 -14.846 -8.843 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.380 -16.118 -7.851 1.00 0.00 H new ATOM 535 N SER A 23 18.202 -18.972 -8.019 1.00 0.00 N ATOM 536 CA SER A 23 18.160 -19.630 -6.701 1.00 0.00 C ATOM 537 C SER A 23 19.519 -20.265 -6.332 1.00 0.00 C ATOM 538 O SER A 23 19.590 -21.258 -5.603 1.00 0.00 O ATOM 539 CB SER A 23 16.997 -20.637 -6.673 1.00 0.00 C ATOM 540 OG SER A 23 16.723 -21.098 -5.358 1.00 0.00 O ATOM 0 H SER A 23 18.852 -19.425 -8.662 1.00 0.00 H new ATOM 0 HA SER A 23 17.976 -18.881 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.103 -20.170 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.238 -21.487 -7.312 1.00 0.00 H new ATOM 0 HG SER A 23 17.547 -21.441 -4.953 1.00 0.00 H new ATOM 546 N GLN A 24 20.622 -19.718 -6.864 1.00 0.00 N ATOM 547 CA GLN A 24 21.988 -20.247 -6.684 1.00 0.00 C ATOM 548 C GLN A 24 22.550 -20.098 -5.254 1.00 0.00 C ATOM 549 O GLN A 24 23.534 -20.756 -4.906 1.00 0.00 O ATOM 550 CB GLN A 24 22.929 -19.582 -7.704 1.00 0.00 C ATOM 551 CG GLN A 24 22.641 -20.033 -9.148 1.00 0.00 C ATOM 552 CD GLN A 24 23.501 -19.323 -10.198 1.00 0.00 C ATOM 553 OE1 GLN A 24 24.441 -18.589 -9.913 1.00 0.00 O ATOM 554 NE2 GLN A 24 23.217 -19.518 -11.469 1.00 0.00 N ATOM 0 H GLN A 24 20.592 -18.879 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 24 21.927 -21.322 -6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 24 22.826 -18.499 -7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 24 23.962 -19.820 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 24 22.805 -21.108 -9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 24 21.589 -19.855 -9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 24 22.440 -20.124 -11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 24 23.774 -19.063 -12.192 1.00 0.00 H new ATOM 563 N ILE A 25 21.925 -19.258 -4.421 1.00 0.00 N ATOM 564 CA ILE A 25 22.272 -18.998 -3.014 1.00 0.00 C ATOM 565 C ILE A 25 20.996 -18.785 -2.170 1.00 0.00 C ATOM 566 O ILE A 25 19.979 -18.336 -2.709 1.00 0.00 O ATOM 567 CB ILE A 25 23.264 -17.808 -2.853 1.00 0.00 C ATOM 568 CG1 ILE A 25 23.313 -16.762 -3.994 1.00 0.00 C ATOM 569 CG2 ILE A 25 24.691 -18.358 -2.681 1.00 0.00 C ATOM 570 CD1 ILE A 25 21.998 -16.002 -4.195 1.00 0.00 C ATOM 0 H ILE A 25 21.120 -18.710 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 25 22.790 -19.882 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 25 22.879 -17.275 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 25 24.107 -16.046 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 25 23.576 -17.265 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 25 25.389 -17.529 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 25 24.733 -18.991 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 25 24.963 -18.944 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 25 22.111 -15.288 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.203 -16.708 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 25 21.742 -15.469 -3.279 1.00 0.00 H new ATOM 582 N PRO A 26 21.010 -19.071 -0.850 1.00 0.00 N ATOM 583 CA PRO A 26 19.814 -19.005 0.003 1.00 0.00 C ATOM 584 C PRO A 26 19.258 -17.582 0.213 1.00 0.00 C ATOM 585 O PRO A 26 18.129 -17.429 0.682 1.00 0.00 O ATOM 586 CB PRO A 26 20.233 -19.654 1.329 1.00 0.00 C ATOM 587 CG PRO A 26 21.738 -19.409 1.390 1.00 0.00 C ATOM 588 CD PRO A 26 22.153 -19.536 -0.073 1.00 0.00 C ATOM 0 HA PRO A 26 18.985 -19.525 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.719 -19.201 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 26 19.999 -20.719 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 26 21.973 -18.424 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.243 -20.141 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.039 -18.936 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.401 -20.568 -0.321 1.00 0.00 H new ATOM 596 N ALA A 27 20.017 -16.539 -0.148 1.00 0.00 N ATOM 597 CA ALA A 27 19.573 -15.143 -0.120 1.00 0.00 C ATOM 598 C ALA A 27 18.521 -14.789 -1.202 1.00 0.00 C ATOM 599 O ALA A 27 17.884 -13.736 -1.107 1.00 0.00 O ATOM 600 CB ALA A 27 20.818 -14.253 -0.238 1.00 0.00 C ATOM 0 H ALA A 27 20.977 -16.647 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 27 19.055 -14.971 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 27 20.519 -13.205 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 21.489 -14.453 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 27 21.331 -14.468 -1.175 1.00 0.00 H new ATOM 606 N SER A 28 18.319 -15.638 -2.221 1.00 0.00 N ATOM 607 CA SER A 28 17.312 -15.425 -3.275 1.00 0.00 C ATOM 608 C SER A 28 15.869 -15.428 -2.745 1.00 0.00 C ATOM 609 O SER A 28 15.475 -16.301 -1.969 1.00 0.00 O ATOM 610 CB SER A 28 17.447 -16.476 -4.382 1.00 0.00 C ATOM 611 OG SER A 28 18.651 -16.286 -5.107 1.00 0.00 O ATOM 0 H SER A 28 18.853 -16.499 -2.339 1.00 0.00 H new ATOM 0 HA SER A 28 17.511 -14.432 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.433 -17.475 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.595 -16.411 -5.058 1.00 0.00 H new ATOM 0 HG SER A 28 19.134 -17.137 -5.168 1.00 0.00 H new ATOM 617 N GLU A 29 15.072 -14.456 -3.195 1.00 0.00 N ATOM 618 CA GLU A 29 13.678 -14.207 -2.764 1.00 0.00 C ATOM 619 C GLU A 29 12.793 -13.614 -3.890 1.00 0.00 C ATOM 620 O GLU A 29 11.579 -13.463 -3.740 1.00 0.00 O ATOM 621 CB GLU A 29 13.746 -13.298 -1.512 1.00 0.00 C ATOM 622 CG GLU A 29 12.434 -12.804 -0.868 1.00 0.00 C ATOM 623 CD GLU A 29 11.494 -13.900 -0.317 1.00 0.00 C ATOM 624 OE1 GLU A 29 11.800 -15.115 -0.399 1.00 0.00 O ATOM 625 OE2 GLU A 29 10.432 -13.534 0.245 1.00 0.00 O ATOM 0 H GLU A 29 15.386 -13.788 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 29 13.190 -15.150 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.305 -13.836 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.333 -12.418 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.686 -12.126 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.886 -12.222 -1.609 1.00 0.00 H new ATOM 632 N GLN A 30 13.399 -13.276 -5.033 1.00 0.00 N ATOM 633 CA GLN A 30 12.806 -12.540 -6.151 1.00 0.00 C ATOM 634 C GLN A 30 11.735 -13.331 -6.928 1.00 0.00 C ATOM 635 O GLN A 30 11.729 -14.564 -6.962 1.00 0.00 O ATOM 636 CB GLN A 30 13.926 -12.060 -7.099 1.00 0.00 C ATOM 637 CG GLN A 30 14.884 -11.010 -6.495 1.00 0.00 C ATOM 638 CD GLN A 30 15.967 -11.545 -5.548 1.00 0.00 C ATOM 639 OE1 GLN A 30 16.143 -12.737 -5.325 1.00 0.00 O ATOM 640 NE2 GLN A 30 16.738 -10.675 -4.934 1.00 0.00 N ATOM 0 H GLN A 30 14.372 -13.524 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 30 12.279 -11.688 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 30 14.510 -12.924 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.469 -11.640 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.375 -10.483 -7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.289 -10.275 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.614 -9.676 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.461 -10.999 -4.291 1.00 0.00 H new ATOM 649 N GLU A 31 10.859 -12.596 -7.614 1.00 0.00 N ATOM 650 CA GLU A 31 9.756 -13.087 -8.459 1.00 0.00 C ATOM 651 C GLU A 31 9.572 -12.153 -9.682 1.00 0.00 C ATOM 652 O GLU A 31 10.413 -11.286 -9.936 1.00 0.00 O ATOM 653 CB GLU A 31 8.477 -13.211 -7.600 1.00 0.00 C ATOM 654 CG GLU A 31 7.966 -11.856 -7.084 1.00 0.00 C ATOM 655 CD GLU A 31 6.687 -11.911 -6.225 1.00 0.00 C ATOM 656 OE1 GLU A 31 6.098 -13.003 -6.028 1.00 0.00 O ATOM 657 OE2 GLU A 31 6.265 -10.828 -5.751 1.00 0.00 O ATOM 0 H GLU A 31 10.898 -11.577 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 31 9.985 -14.077 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.694 -13.687 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.678 -13.864 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.757 -11.389 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.780 -11.208 -7.940 1.00 0.00 H new ATOM 664 N THR A 32 8.485 -12.304 -10.448 1.00 0.00 N ATOM 665 CA THR A 32 8.162 -11.442 -11.603 1.00 0.00 C ATOM 666 C THR A 32 8.206 -9.927 -11.367 1.00 0.00 C ATOM 667 O THR A 32 7.604 -9.427 -10.412 1.00 0.00 O ATOM 668 CB THR A 32 6.841 -11.829 -12.297 1.00 0.00 C ATOM 669 OG1 THR A 32 6.506 -13.182 -12.068 1.00 0.00 O ATOM 670 CG2 THR A 32 6.887 -11.621 -13.809 1.00 0.00 C ATOM 0 H THR A 32 7.793 -13.036 -10.285 1.00 0.00 H new ATOM 0 HA THR A 32 8.999 -11.652 -12.270 1.00 0.00 H new ATOM 0 HB THR A 32 6.090 -11.170 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.663 -13.391 -12.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.931 -11.910 -14.245 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.083 -10.571 -14.026 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.681 -12.234 -14.237 1.00 0.00 H new ATOM 678 N LEU A 33 8.888 -9.186 -12.248 1.00 0.00 N ATOM 679 CA LEU A 33 8.920 -7.719 -12.234 1.00 0.00 C ATOM 680 C LEU A 33 7.671 -7.101 -12.883 1.00 0.00 C ATOM 681 O LEU A 33 7.109 -7.641 -13.839 1.00 0.00 O ATOM 682 CB LEU A 33 10.182 -7.200 -12.948 1.00 0.00 C ATOM 683 CG LEU A 33 11.515 -7.475 -12.228 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.656 -6.963 -13.108 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.608 -6.771 -10.871 1.00 0.00 C ATOM 0 H LEU A 33 9.441 -9.594 -13.001 1.00 0.00 H new ATOM 0 HA LEU A 33 8.937 -7.414 -11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.227 -7.649 -13.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.081 -6.124 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 33 11.580 -8.549 -12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.609 -7.150 -12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.637 -7.482 -14.067 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.536 -5.892 -13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.568 -6.999 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.521 -5.694 -11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.801 -7.118 -10.225 1.00 0.00 H new ATOM 697 N VAL A 34 7.290 -5.923 -12.386 1.00 0.00 N ATOM 698 CA VAL A 34 6.176 -5.079 -12.846 1.00 0.00 C ATOM 699 C VAL A 34 6.557 -3.607 -12.988 1.00 0.00 C ATOM 700 O VAL A 34 7.565 -3.160 -12.429 1.00 0.00 O ATOM 701 CB VAL A 34 4.892 -5.258 -11.999 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.668 -6.701 -11.557 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.863 -4.366 -10.749 1.00 0.00 C ATOM 0 H VAL A 34 7.782 -5.501 -11.598 1.00 0.00 H new ATOM 0 HA VAL A 34 5.944 -5.438 -13.849 1.00 0.00 H new ATOM 0 HB VAL A 34 4.090 -4.956 -12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.753 -6.763 -10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.578 -7.341 -12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.513 -7.032 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.938 -4.539 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.714 -4.605 -10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.917 -3.319 -11.048 1.00 0.00 H new ATOM 713 N ARG A 35 5.719 -2.849 -13.704 1.00 0.00 N ATOM 714 CA ARG A 35 5.821 -1.392 -13.860 1.00 0.00 C ATOM 715 C ARG A 35 4.715 -0.643 -13.086 1.00 0.00 C ATOM 716 O ARG A 35 3.658 -0.372 -13.659 1.00 0.00 O ATOM 717 CB ARG A 35 5.872 -1.042 -15.368 1.00 0.00 C ATOM 718 CG ARG A 35 7.303 -1.014 -15.942 1.00 0.00 C ATOM 719 CD ARG A 35 8.006 0.357 -15.870 1.00 0.00 C ATOM 720 NE ARG A 35 8.172 0.870 -14.493 1.00 0.00 N ATOM 721 CZ ARG A 35 7.367 1.686 -13.839 1.00 0.00 C ATOM 722 NH1 ARG A 35 6.283 2.186 -14.355 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.616 1.989 -12.604 1.00 0.00 N ATOM 0 H ARG A 35 4.925 -3.245 -14.207 1.00 0.00 H new ATOM 0 HA ARG A 35 6.750 -1.045 -13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.280 -1.770 -15.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.407 -0.069 -15.523 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.908 -1.745 -15.405 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.267 -1.333 -16.984 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.987 0.277 -16.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.433 1.080 -16.451 1.00 0.00 H new ATOM 0 HE ARG A 35 9.003 0.558 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.019 1.952 -15.312 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.697 2.812 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.434 1.597 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.994 2.620 -12.098 1.00 0.00 H new ATOM 737 N PRO A 36 4.911 -0.316 -11.791 1.00 0.00 N ATOM 738 CA PRO A 36 3.942 0.468 -11.015 1.00 0.00 C ATOM 739 C PRO A 36 3.801 1.912 -11.529 1.00 0.00 C ATOM 740 O PRO A 36 4.772 2.506 -12.012 1.00 0.00 O ATOM 741 CB PRO A 36 4.434 0.415 -9.564 1.00 0.00 C ATOM 742 CG PRO A 36 5.931 0.143 -9.678 1.00 0.00 C ATOM 743 CD PRO A 36 6.056 -0.678 -10.959 1.00 0.00 C ATOM 0 HA PRO A 36 2.939 0.051 -11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.239 1.353 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.929 -0.371 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.502 1.069 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.305 -0.405 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.993 -0.460 -11.471 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.054 -1.745 -10.738 1.00 0.00 H new ATOM 751 N LYS A 37 2.600 2.496 -11.403 1.00 0.00 N ATOM 752 CA LYS A 37 2.292 3.887 -11.801 1.00 0.00 C ATOM 753 C LYS A 37 3.290 4.916 -11.231 1.00 0.00 C ATOM 754 O LYS A 37 3.756 4.726 -10.106 1.00 0.00 O ATOM 755 CB LYS A 37 0.856 4.244 -11.354 1.00 0.00 C ATOM 756 CG LYS A 37 -0.124 4.313 -12.534 1.00 0.00 C ATOM 757 CD LYS A 37 -1.562 4.580 -12.053 1.00 0.00 C ATOM 758 CE LYS A 37 -2.258 3.313 -11.543 1.00 0.00 C ATOM 759 NZ LYS A 37 -2.625 2.413 -12.667 1.00 0.00 N ATOM 0 H LYS A 37 1.794 2.007 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 37 2.378 3.937 -12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.506 3.501 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.867 5.204 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.185 5.102 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.093 3.376 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.543 5.325 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.142 5.004 -12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.600 2.786 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.154 3.586 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.986 1.514 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.361 2.864 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.786 2.230 -13.253 1.00 0.00 H new ATOM 773 N PRO A 38 3.550 6.054 -11.910 1.00 0.00 N ATOM 774 CA PRO A 38 4.409 7.126 -11.382 1.00 0.00 C ATOM 775 C PRO A 38 3.953 7.665 -10.015 1.00 0.00 C ATOM 776 O PRO A 38 4.779 7.963 -9.151 1.00 0.00 O ATOM 777 CB PRO A 38 4.389 8.228 -12.449 1.00 0.00 C ATOM 778 CG PRO A 38 4.099 7.465 -13.739 1.00 0.00 C ATOM 779 CD PRO A 38 3.142 6.372 -13.273 1.00 0.00 C ATOM 0 HA PRO A 38 5.413 6.744 -11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.622 8.974 -12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.341 8.756 -12.500 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.645 8.106 -14.495 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.007 7.049 -14.177 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.108 6.716 -13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.205 5.495 -13.917 1.00 0.00 H new ATOM 787 N LEU A 39 2.634 7.718 -9.788 1.00 0.00 N ATOM 788 CA LEU A 39 2.020 8.093 -8.509 1.00 0.00 C ATOM 789 C LEU A 39 2.391 7.124 -7.368 1.00 0.00 C ATOM 790 O LEU A 39 2.597 7.549 -6.233 1.00 0.00 O ATOM 791 CB LEU A 39 0.493 8.164 -8.732 1.00 0.00 C ATOM 792 CG LEU A 39 -0.310 8.758 -7.558 1.00 0.00 C ATOM 793 CD1 LEU A 39 -0.052 10.260 -7.413 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.808 8.565 -7.794 1.00 0.00 C ATOM 0 H LEU A 39 1.947 7.495 -10.508 1.00 0.00 H new ATOM 0 HA LEU A 39 2.401 9.063 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.299 8.760 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.123 7.159 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 39 0.010 8.241 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.632 10.650 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.009 10.431 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.348 10.770 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.365 8.988 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.099 9.068 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.029 7.501 -7.876 1.00 0.00 H new ATOM 806 N LEU A 40 2.515 5.826 -7.672 1.00 0.00 N ATOM 807 CA LEU A 40 2.951 4.803 -6.720 1.00 0.00 C ATOM 808 C LEU A 40 4.470 4.804 -6.542 1.00 0.00 C ATOM 809 O LEU A 40 4.957 4.728 -5.420 1.00 0.00 O ATOM 810 CB LEU A 40 2.433 3.431 -7.179 1.00 0.00 C ATOM 811 CG LEU A 40 2.728 2.280 -6.197 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.208 2.548 -4.784 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.018 1.023 -6.686 1.00 0.00 C ATOM 0 H LEU A 40 2.312 5.454 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 40 2.530 5.030 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.356 3.495 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.878 3.192 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 40 3.812 2.174 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.447 1.701 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.678 3.448 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.127 2.687 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.219 0.201 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.944 1.205 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.382 0.763 -7.680 1.00 0.00 H new ATOM 825 N LEU A 41 5.224 4.963 -7.629 1.00 0.00 N ATOM 826 CA LEU A 41 6.683 5.095 -7.597 1.00 0.00 C ATOM 827 C LEU A 41 7.133 6.256 -6.689 1.00 0.00 C ATOM 828 O LEU A 41 8.055 6.084 -5.894 1.00 0.00 O ATOM 829 CB LEU A 41 7.181 5.215 -9.047 1.00 0.00 C ATOM 830 CG LEU A 41 8.688 5.477 -9.204 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.552 4.390 -8.559 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.037 5.545 -10.690 1.00 0.00 C ATOM 0 H LEU A 41 4.835 5.005 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 41 7.136 4.211 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.932 4.296 -9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.636 6.022 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 41 8.899 6.419 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.606 4.630 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.334 4.337 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.333 3.428 -9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.105 5.731 -10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.780 4.600 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.476 6.353 -11.159 1.00 0.00 H new ATOM 844 N LYS A 42 6.426 7.393 -6.712 1.00 0.00 N ATOM 845 CA LYS A 42 6.603 8.503 -5.755 1.00 0.00 C ATOM 846 C LYS A 42 6.447 8.053 -4.292 1.00 0.00 C ATOM 847 O LYS A 42 7.264 8.420 -3.447 1.00 0.00 O ATOM 848 CB LYS A 42 5.590 9.608 -6.115 1.00 0.00 C ATOM 849 CG LYS A 42 5.621 10.832 -5.181 1.00 0.00 C ATOM 850 CD LYS A 42 4.399 11.746 -5.379 1.00 0.00 C ATOM 851 CE LYS A 42 4.235 12.322 -6.794 1.00 0.00 C ATOM 852 NZ LYS A 42 5.334 13.256 -7.161 1.00 0.00 N ATOM 0 H LYS A 42 5.701 7.575 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 42 7.622 8.883 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.782 9.940 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.587 9.182 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.657 10.495 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.532 11.402 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.500 11.184 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.466 12.574 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.202 11.504 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.281 12.845 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.176 13.616 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.351 14.052 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.244 12.753 -7.124 1.00 0.00 H new ATOM 866 N LEU A 43 5.437 7.235 -3.988 1.00 0.00 N ATOM 867 CA LEU A 43 5.195 6.690 -2.646 1.00 0.00 C ATOM 868 C LEU A 43 6.301 5.707 -2.218 1.00 0.00 C ATOM 869 O LEU A 43 6.813 5.805 -1.103 1.00 0.00 O ATOM 870 CB LEU A 43 3.783 6.072 -2.608 1.00 0.00 C ATOM 871 CG LEU A 43 3.337 5.585 -1.216 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.812 5.563 -1.135 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.808 4.162 -0.892 1.00 0.00 C ATOM 0 H LEU A 43 4.752 6.926 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 43 5.235 7.493 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.067 6.811 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.749 5.232 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 43 3.784 6.281 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.505 5.218 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.424 6.567 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.417 4.888 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.460 3.881 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.402 3.468 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.897 4.124 -0.919 1.00 0.00 H new ATOM 885 N LEU A 44 6.729 4.809 -3.114 1.00 0.00 N ATOM 886 CA LEU A 44 7.840 3.880 -2.870 1.00 0.00 C ATOM 887 C LEU A 44 9.146 4.655 -2.595 1.00 0.00 C ATOM 888 O LEU A 44 9.879 4.357 -1.653 1.00 0.00 O ATOM 889 CB LEU A 44 7.985 2.920 -4.075 1.00 0.00 C ATOM 890 CG LEU A 44 6.748 2.058 -4.410 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.953 1.325 -5.739 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.464 1.003 -3.347 1.00 0.00 C ATOM 0 H LEU A 44 6.310 4.706 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 44 7.628 3.284 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.240 3.510 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.826 2.253 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 44 5.905 2.748 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.073 0.722 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.105 2.053 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.827 0.678 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.585 0.426 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.322 0.337 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.282 1.491 -2.389 1.00 0.00 H new ATOM 904 N LYS A 45 9.414 5.717 -3.361 1.00 0.00 N ATOM 905 CA LYS A 45 10.583 6.599 -3.187 1.00 0.00 C ATOM 906 C LYS A 45 10.504 7.510 -1.959 1.00 0.00 C ATOM 907 O LYS A 45 11.548 7.875 -1.420 1.00 0.00 O ATOM 908 CB LYS A 45 10.807 7.397 -4.475 1.00 0.00 C ATOM 909 CG LYS A 45 11.242 6.451 -5.607 1.00 0.00 C ATOM 910 CD LYS A 45 11.137 7.120 -6.974 1.00 0.00 C ATOM 911 CE LYS A 45 12.350 7.992 -7.258 1.00 0.00 C ATOM 912 NZ LYS A 45 12.198 8.777 -8.512 1.00 0.00 N ATOM 0 H LYS A 45 8.814 5.997 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 45 11.444 5.960 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.891 7.917 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.569 8.159 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.270 6.129 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.621 5.555 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.045 6.358 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.233 7.727 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.509 8.673 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.238 7.364 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.048 9.356 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.073 8.128 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.366 9.397 -8.435 1.00 0.00 H new ATOM 926 N SER A 46 9.306 7.790 -1.442 1.00 0.00 N ATOM 927 CA SER A 46 9.113 8.471 -0.147 1.00 0.00 C ATOM 928 C SER A 46 9.627 7.644 1.045 1.00 0.00 C ATOM 929 O SER A 46 9.982 8.214 2.078 1.00 0.00 O ATOM 930 CB SER A 46 7.641 8.845 0.067 1.00 0.00 C ATOM 931 OG SER A 46 7.213 9.770 -0.918 1.00 0.00 O ATOM 0 H SER A 46 8.431 7.551 -1.909 1.00 0.00 H new ATOM 0 HA SER A 46 9.710 9.382 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.023 7.948 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.510 9.276 1.060 1.00 0.00 H new ATOM 0 HG SER A 46 7.221 9.338 -1.798 1.00 0.00 H new ATOM 937 N VAL A 47 9.729 6.316 0.888 1.00 0.00 N ATOM 938 CA VAL A 47 10.416 5.386 1.813 1.00 0.00 C ATOM 939 C VAL A 47 11.771 4.879 1.276 1.00 0.00 C ATOM 940 O VAL A 47 12.365 3.960 1.842 1.00 0.00 O ATOM 941 CB VAL A 47 9.491 4.255 2.311 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.197 4.801 2.923 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.111 3.254 1.217 1.00 0.00 C ATOM 0 H VAL A 47 9.322 5.837 0.085 1.00 0.00 H new ATOM 0 HA VAL A 47 10.667 5.974 2.696 1.00 0.00 H new ATOM 0 HB VAL A 47 10.078 3.737 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.576 3.971 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.438 5.442 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.656 5.379 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.460 2.487 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.589 3.774 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.013 2.788 0.821 1.00 0.00 H new ATOM 953 N GLY A 48 12.298 5.506 0.216 1.00 0.00 N ATOM 954 CA GLY A 48 13.662 5.306 -0.287 1.00 0.00 C ATOM 955 C GLY A 48 13.860 4.109 -1.225 1.00 0.00 C ATOM 956 O GLY A 48 14.949 3.530 -1.237 1.00 0.00 O ATOM 0 H GLY A 48 11.771 6.187 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.971 6.210 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.330 5.189 0.566 1.00 0.00 H new ATOM 960 N ALA A 49 12.841 3.710 -1.996 1.00 0.00 N ATOM 961 CA ALA A 49 12.945 2.587 -2.926 1.00 0.00 C ATOM 962 C ALA A 49 13.883 2.920 -4.113 1.00 0.00 C ATOM 963 O ALA A 49 13.824 4.016 -4.678 1.00 0.00 O ATOM 964 CB ALA A 49 11.529 2.201 -3.347 1.00 0.00 C ATOM 0 H ALA A 49 11.925 4.158 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 49 13.409 1.725 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.572 1.363 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.954 1.913 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.049 3.051 -3.832 1.00 0.00 H new ATOM 970 N GLN A 50 14.781 1.991 -4.464 1.00 0.00 N ATOM 971 CA GLN A 50 15.899 2.235 -5.393 1.00 0.00 C ATOM 972 C GLN A 50 15.572 2.048 -6.891 1.00 0.00 C ATOM 973 O GLN A 50 16.040 2.829 -7.726 1.00 0.00 O ATOM 974 CB GLN A 50 17.068 1.335 -4.946 1.00 0.00 C ATOM 975 CG GLN A 50 18.348 1.447 -5.799 1.00 0.00 C ATOM 976 CD GLN A 50 18.507 0.316 -6.818 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.257 0.463 -8.007 1.00 0.00 O ATOM 978 NE2 GLN A 50 18.762 -0.900 -6.379 1.00 0.00 N ATOM 0 H GLN A 50 14.754 1.036 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 50 16.156 3.292 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.317 1.577 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.732 0.298 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.341 2.401 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 50 19.215 1.454 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.974 -1.052 -5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.748 -1.689 -7.025 1.00 0.00 H new ATOM 987 N LYS A 51 14.809 1.004 -7.234 1.00 0.00 N ATOM 988 CA LYS A 51 14.579 0.539 -8.617 1.00 0.00 C ATOM 989 C LYS A 51 13.564 1.387 -9.409 1.00 0.00 C ATOM 990 O LYS A 51 12.925 2.298 -8.879 1.00 0.00 O ATOM 991 CB LYS A 51 14.125 -0.937 -8.595 1.00 0.00 C ATOM 992 CG LYS A 51 15.052 -1.906 -7.842 1.00 0.00 C ATOM 993 CD LYS A 51 14.590 -3.357 -8.065 1.00 0.00 C ATOM 994 CE LYS A 51 15.524 -4.390 -7.420 1.00 0.00 C ATOM 995 NZ LYS A 51 15.360 -4.467 -5.946 1.00 0.00 N ATOM 0 H LYS A 51 14.318 0.439 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 51 15.530 0.647 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.134 -0.987 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.025 -1.283 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.078 -1.785 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.047 -1.674 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.586 -3.479 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.526 -3.552 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.331 -5.371 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.558 -4.136 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.268 -4.724 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.049 -3.543 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.648 -5.188 -5.713 1.00 0.00 H new ATOM 1009 N ASP A 52 13.397 1.054 -10.689 1.00 0.00 N ATOM 1010 CA ASP A 52 12.321 1.528 -11.577 1.00 0.00 C ATOM 1011 C ASP A 52 11.273 0.458 -11.954 1.00 0.00 C ATOM 1012 O ASP A 52 10.120 0.784 -12.248 1.00 0.00 O ATOM 1013 CB ASP A 52 12.862 2.298 -12.797 1.00 0.00 C ATOM 1014 CG ASP A 52 14.039 1.644 -13.552 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.379 0.462 -13.305 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.627 2.329 -14.424 1.00 0.00 O ATOM 0 H ASP A 52 14.036 0.416 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 52 11.761 2.243 -10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.042 2.443 -13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.176 3.288 -12.465 1.00 0.00 H new ATOM 1021 N THR A 53 11.646 -0.822 -11.889 1.00 0.00 N ATOM 1022 CA THR A 53 10.766 -2.004 -11.990 1.00 0.00 C ATOM 1023 C THR A 53 10.823 -2.702 -10.625 1.00 0.00 C ATOM 1024 O THR A 53 11.856 -2.708 -9.952 1.00 0.00 O ATOM 1025 CB THR A 53 11.295 -3.021 -13.018 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.709 -3.028 -13.106 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.743 -2.724 -14.407 1.00 0.00 C ATOM 0 H THR A 53 12.623 -1.084 -11.757 1.00 0.00 H new ATOM 0 HA THR A 53 9.768 -1.682 -12.287 1.00 0.00 H new ATOM 0 HB THR A 53 10.960 -3.997 -12.667 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.992 -3.691 -13.770 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.130 -3.455 -15.116 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.655 -2.780 -14.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.049 -1.724 -14.714 1.00 0.00 H new ATOM 1035 N TYR A 54 9.713 -3.326 -10.224 1.00 0.00 N ATOM 1036 CA TYR A 54 9.540 -3.915 -8.887 1.00 0.00 C ATOM 1037 C TYR A 54 8.811 -5.257 -8.838 1.00 0.00 C ATOM 1038 O TYR A 54 7.966 -5.516 -9.691 1.00 0.00 O ATOM 1039 CB TYR A 54 8.834 -2.914 -7.960 1.00 0.00 C ATOM 1040 CG TYR A 54 9.660 -1.714 -7.551 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.491 -1.786 -6.417 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.589 -0.525 -8.302 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.237 -0.663 -6.017 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.352 0.592 -7.918 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.167 0.528 -6.768 1.00 0.00 C ATOM 1046 OH TYR A 54 11.915 1.600 -6.407 1.00 0.00 O ATOM 0 H TYR A 54 8.896 -3.440 -10.824 1.00 0.00 H new ATOM 0 HA TYR A 54 10.554 -4.130 -8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.931 -2.560 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.517 -3.440 -7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.556 -2.705 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.950 -0.471 -9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.862 -0.713 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.314 1.499 -8.503 1.00 0.00 H new ATOM 0 HH TYR A 54 12.355 1.974 -7.199 1.00 0.00 H new ATOM 1056 N THR A 55 9.096 -6.108 -7.853 1.00 0.00 N ATOM 1057 CA THR A 55 8.231 -7.266 -7.561 1.00 0.00 C ATOM 1058 C THR A 55 6.938 -6.883 -6.838 1.00 0.00 C ATOM 1059 O THR A 55 6.903 -5.869 -6.139 1.00 0.00 O ATOM 1060 CB THR A 55 8.933 -8.437 -6.865 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.936 -8.275 -5.465 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.364 -8.714 -7.315 1.00 0.00 C ATOM 0 H THR A 55 9.910 -6.025 -7.245 1.00 0.00 H new ATOM 0 HA THR A 55 7.960 -7.635 -8.550 1.00 0.00 H new ATOM 0 HB THR A 55 8.337 -9.299 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.389 -9.038 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.763 -9.562 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.372 -8.944 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.981 -7.835 -7.128 1.00 0.00 H new ATOM 1070 N MET A 56 5.869 -7.682 -6.943 1.00 0.00 N ATOM 1071 CA MET A 56 4.647 -7.433 -6.166 1.00 0.00 C ATOM 1072 C MET A 56 4.909 -7.430 -4.652 1.00 0.00 C ATOM 1073 O MET A 56 4.369 -6.574 -3.945 1.00 0.00 O ATOM 1074 CB MET A 56 3.556 -8.450 -6.531 1.00 0.00 C ATOM 1075 CG MET A 56 3.039 -8.279 -7.968 1.00 0.00 C ATOM 1076 SD MET A 56 2.415 -6.642 -8.424 1.00 0.00 S ATOM 1077 CE MET A 56 0.903 -6.776 -7.474 1.00 0.00 C ATOM 0 H MET A 56 5.824 -8.499 -7.552 1.00 0.00 H new ATOM 0 HA MET A 56 4.296 -6.435 -6.429 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.951 -9.459 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.723 -8.348 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.847 -8.537 -8.652 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.241 -9.004 -8.130 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.048 -6.581 -8.121 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.822 -7.781 -7.059 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.917 -6.048 -6.663 1.00 0.00 H new ATOM 1087 N LYS A 57 5.789 -8.314 -4.155 1.00 0.00 N ATOM 1088 CA LYS A 57 6.217 -8.311 -2.748 1.00 0.00 C ATOM 1089 C LYS A 57 7.054 -7.081 -2.383 1.00 0.00 C ATOM 1090 O LYS A 57 6.862 -6.539 -1.302 1.00 0.00 O ATOM 1091 CB LYS A 57 6.929 -9.629 -2.411 1.00 0.00 C ATOM 1092 CG LYS A 57 7.231 -9.743 -0.906 1.00 0.00 C ATOM 1093 CD LYS A 57 7.551 -11.190 -0.518 1.00 0.00 C ATOM 1094 CE LYS A 57 7.703 -11.369 0.995 1.00 0.00 C ATOM 1095 NZ LYS A 57 7.971 -12.790 1.326 1.00 0.00 N ATOM 0 H LYS A 57 6.222 -9.048 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 57 5.323 -8.240 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.307 -10.469 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.859 -9.695 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.073 -9.100 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.374 -9.390 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.758 -11.844 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.472 -11.501 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.518 -10.744 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.796 -11.037 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.739 -12.963 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.386 -13.403 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.976 -13.001 1.162 1.00 0.00 H new ATOM 1109 N GLU A 58 7.921 -6.582 -3.265 1.00 0.00 N ATOM 1110 CA GLU A 58 8.640 -5.314 -3.049 1.00 0.00 C ATOM 1111 C GLU A 58 7.698 -4.104 -2.954 1.00 0.00 C ATOM 1112 O GLU A 58 7.836 -3.294 -2.034 1.00 0.00 O ATOM 1113 CB GLU A 58 9.662 -5.058 -4.163 1.00 0.00 C ATOM 1114 CG GLU A 58 10.949 -5.882 -4.026 1.00 0.00 C ATOM 1115 CD GLU A 58 11.910 -5.656 -5.209 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.464 -5.279 -6.318 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.138 -5.839 -5.025 1.00 0.00 O ATOM 0 H GLU A 58 8.148 -7.039 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 58 9.152 -5.425 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.200 -5.281 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.919 -3.999 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.451 -5.617 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.696 -6.940 -3.962 1.00 0.00 H new ATOM 1124 N VAL A 59 6.722 -3.990 -3.865 1.00 0.00 N ATOM 1125 CA VAL A 59 5.725 -2.905 -3.840 1.00 0.00 C ATOM 1126 C VAL A 59 4.913 -2.960 -2.541 1.00 0.00 C ATOM 1127 O VAL A 59 4.840 -1.955 -1.834 1.00 0.00 O ATOM 1128 CB VAL A 59 4.795 -2.935 -5.071 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.761 -1.810 -5.030 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.560 -2.752 -6.389 1.00 0.00 C ATOM 0 H VAL A 59 6.599 -4.644 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 59 6.269 -1.961 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 59 4.319 -3.915 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.126 -1.867 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.147 -1.913 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.272 -0.847 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.859 -2.781 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.075 -1.791 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.290 -3.554 -6.500 1.00 0.00 H new ATOM 1140 N LEU A 60 4.355 -4.125 -2.187 1.00 0.00 N ATOM 1141 CA LEU A 60 3.642 -4.322 -0.919 1.00 0.00 C ATOM 1142 C LEU A 60 4.536 -4.027 0.300 1.00 0.00 C ATOM 1143 O LEU A 60 4.086 -3.341 1.215 1.00 0.00 O ATOM 1144 CB LEU A 60 3.099 -5.760 -0.840 1.00 0.00 C ATOM 1145 CG LEU A 60 1.880 -6.074 -1.723 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.632 -7.586 -1.725 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.613 -5.392 -1.200 1.00 0.00 C ATOM 0 H LEU A 60 4.386 -4.959 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 60 2.813 -3.615 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.903 -6.445 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.835 -5.970 0.196 1.00 0.00 H new ATOM 0 HG LEU A 60 2.096 -5.704 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.768 -7.812 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.510 -8.098 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.441 -7.925 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.227 -5.637 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.403 -5.740 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.759 -4.312 -1.189 1.00 0.00 H new ATOM 1159 N PHE A 61 5.792 -4.483 0.323 1.00 0.00 N ATOM 1160 CA PHE A 61 6.747 -4.232 1.408 1.00 0.00 C ATOM 1161 C PHE A 61 6.953 -2.755 1.744 1.00 0.00 C ATOM 1162 O PHE A 61 6.694 -2.292 2.857 1.00 0.00 O ATOM 1163 CB PHE A 61 8.070 -4.977 1.142 1.00 0.00 C ATOM 1164 CG PHE A 61 9.256 -4.564 1.995 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.485 -5.188 3.237 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.155 -3.581 1.534 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.598 -4.826 4.016 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.268 -3.219 2.314 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.492 -3.845 3.553 1.00 0.00 C ATOM 0 H PHE A 61 6.183 -5.050 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 61 6.299 -4.640 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.898 -6.043 1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.337 -4.838 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.803 -5.947 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.989 -3.104 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.766 -5.302 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.951 -2.460 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.351 -3.572 4.149 1.00 0.00 H new ATOM 1179 N TYR A 62 7.344 -2.007 0.717 1.00 0.00 N ATOM 1180 CA TYR A 62 7.508 -0.555 0.770 1.00 0.00 C ATOM 1181 C TYR A 62 6.231 0.253 1.055 1.00 0.00 C ATOM 1182 O TYR A 62 6.251 1.199 1.843 1.00 0.00 O ATOM 1183 CB TYR A 62 8.228 -0.051 -0.485 1.00 0.00 C ATOM 1184 CG TYR A 62 9.717 -0.342 -0.599 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.617 0.095 0.393 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.211 -1.001 -1.744 1.00 0.00 C ATOM 1187 CE1 TYR A 62 12.002 -0.105 0.235 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.594 -1.213 -1.902 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.495 -0.758 -0.917 1.00 0.00 C ATOM 1190 OH TYR A 62 13.833 -0.942 -1.091 1.00 0.00 O ATOM 0 H TYR A 62 7.561 -2.402 -0.198 1.00 0.00 H new ATOM 0 HA TYR A 62 8.127 -0.373 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.732 -0.483 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.090 1.029 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.243 0.586 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.525 -1.345 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.688 0.241 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.965 -1.724 -2.778 1.00 0.00 H new ATOM 0 HH TYR A 62 13.992 -1.409 -1.938 1.00 0.00 H new ATOM 1200 N LEU A 63 5.097 -0.146 0.469 1.00 0.00 N ATOM 1201 CA LEU A 63 3.783 0.444 0.742 1.00 0.00 C ATOM 1202 C LEU A 63 3.358 0.226 2.204 1.00 0.00 C ATOM 1203 O LEU A 63 2.898 1.161 2.859 1.00 0.00 O ATOM 1204 CB LEU A 63 2.783 -0.150 -0.264 1.00 0.00 C ATOM 1205 CG LEU A 63 1.319 0.281 -0.084 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.137 1.791 -0.210 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.479 -0.373 -1.177 1.00 0.00 C ATOM 0 H LEU A 63 5.066 -0.899 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 63 3.818 1.526 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.102 0.124 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.833 -1.237 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 63 1.010 -0.025 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.085 2.043 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.732 2.294 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.464 2.116 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.563 -0.076 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.841 -0.054 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.558 -1.457 -1.097 1.00 0.00 H new ATOM 1219 N GLY A 64 3.598 -0.968 2.751 1.00 0.00 N ATOM 1220 CA GLY A 64 3.404 -1.268 4.169 1.00 0.00 C ATOM 1221 C GLY A 64 4.295 -0.417 5.076 1.00 0.00 C ATOM 1222 O GLY A 64 3.803 0.147 6.051 1.00 0.00 O ATOM 0 H GLY A 64 3.938 -1.765 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.359 -1.102 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.614 -2.323 4.346 1.00 0.00 H new ATOM 1226 N GLN A 65 5.573 -0.228 4.725 1.00 0.00 N ATOM 1227 CA GLN A 65 6.459 0.713 5.427 1.00 0.00 C ATOM 1228 C GLN A 65 5.969 2.172 5.367 1.00 0.00 C ATOM 1229 O GLN A 65 6.126 2.907 6.346 1.00 0.00 O ATOM 1230 CB GLN A 65 7.896 0.613 4.888 1.00 0.00 C ATOM 1231 CG GLN A 65 8.606 -0.679 5.322 1.00 0.00 C ATOM 1232 CD GLN A 65 10.100 -0.665 4.993 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.571 -0.018 4.065 1.00 0.00 O ATOM 1234 NE2 GLN A 65 10.913 -1.370 5.752 1.00 0.00 N ATOM 0 H GLN A 65 6.021 -0.719 3.951 1.00 0.00 H new ATOM 0 HA GLN A 65 6.442 0.419 6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.875 0.663 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.470 1.472 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.475 -0.819 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.137 -1.531 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.540 -1.915 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.915 -1.371 5.563 1.00 0.00 H new ATOM 1243 N TYR A 66 5.335 2.596 4.268 1.00 0.00 N ATOM 1244 CA TYR A 66 4.748 3.933 4.155 1.00 0.00 C ATOM 1245 C TYR A 66 3.529 4.105 5.073 1.00 0.00 C ATOM 1246 O TYR A 66 3.487 5.036 5.875 1.00 0.00 O ATOM 1247 CB TYR A 66 4.445 4.264 2.687 1.00 0.00 C ATOM 1248 CG TYR A 66 3.813 5.626 2.455 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.417 5.799 2.547 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.633 6.722 2.117 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.845 7.062 2.294 1.00 0.00 C ATOM 1252 CE2 TYR A 66 4.064 7.982 1.851 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.665 8.152 1.931 1.00 0.00 C ATOM 1254 OH TYR A 66 2.107 9.366 1.674 1.00 0.00 O ATOM 0 H TYR A 66 5.215 2.022 3.434 1.00 0.00 H new ATOM 0 HA TYR A 66 5.481 4.660 4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.373 4.209 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.780 3.498 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.786 4.964 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.704 6.594 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.777 7.196 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.696 8.817 1.586 1.00 0.00 H new ATOM 0 HH TYR A 66 2.811 10.007 1.440 1.00 0.00 H new ATOM 1264 N ILE A 67 2.586 3.155 5.036 1.00 0.00 N ATOM 1265 CA ILE A 67 1.407 3.115 5.923 1.00 0.00 C ATOM 1266 C ILE A 67 1.832 3.087 7.403 1.00 0.00 C ATOM 1267 O ILE A 67 1.267 3.812 8.227 1.00 0.00 O ATOM 1268 CB ILE A 67 0.524 1.890 5.584 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.040 1.958 4.149 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.650 1.764 6.570 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.424 0.585 3.576 1.00 0.00 C ATOM 0 H ILE A 67 2.618 2.376 4.378 1.00 0.00 H new ATOM 0 HA ILE A 67 0.823 4.021 5.760 1.00 0.00 H new ATOM 0 HB ILE A 67 1.171 1.016 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.918 2.604 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.701 2.421 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.254 0.895 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.264 1.646 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.266 2.662 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.813 0.708 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.456 -0.058 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.188 0.129 4.205 1.00 0.00 H new ATOM 1283 N MET A 68 2.862 2.293 7.722 1.00 0.00 N ATOM 1284 CA MET A 68 3.474 2.173 9.048 1.00 0.00 C ATOM 1285 C MET A 68 4.039 3.514 9.541 1.00 0.00 C ATOM 1286 O MET A 68 3.636 3.992 10.601 1.00 0.00 O ATOM 1287 CB MET A 68 4.558 1.081 9.002 1.00 0.00 C ATOM 1288 CG MET A 68 5.307 0.857 10.322 1.00 0.00 C ATOM 1289 SD MET A 68 6.914 0.027 10.135 1.00 0.00 S ATOM 1290 CE MET A 68 6.409 -1.575 9.448 1.00 0.00 C ATOM 0 H MET A 68 3.310 1.691 7.031 1.00 0.00 H new ATOM 0 HA MET A 68 2.707 1.886 9.767 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.094 0.142 8.701 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.282 1.341 8.230 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.463 1.821 10.807 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.679 0.264 10.987 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.294 -2.173 9.231 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.785 -2.100 10.171 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.844 -1.415 8.529 1.00 0.00 H new ATOM 1300 N THR A 69 4.936 4.148 8.775 1.00 0.00 N ATOM 1301 CA THR A 69 5.552 5.434 9.154 1.00 0.00 C ATOM 1302 C THR A 69 4.595 6.628 9.213 1.00 0.00 C ATOM 1303 O THR A 69 4.688 7.475 10.106 1.00 0.00 O ATOM 1304 CB THR A 69 6.839 5.709 8.353 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.679 6.566 9.096 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.608 6.373 6.994 1.00 0.00 C ATOM 0 H THR A 69 5.257 3.788 7.876 1.00 0.00 H new ATOM 0 HA THR A 69 5.845 5.312 10.197 1.00 0.00 H new ATOM 0 HB THR A 69 7.283 4.730 8.174 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.499 6.741 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.566 6.530 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.981 5.730 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.112 7.333 7.138 1.00 0.00 H new ATOM 1314 N LYS A 70 3.603 6.660 8.314 1.00 0.00 N ATOM 1315 CA LYS A 70 2.526 7.665 8.267 1.00 0.00 C ATOM 1316 C LYS A 70 1.421 7.462 9.320 1.00 0.00 C ATOM 1317 O LYS A 70 0.607 8.366 9.510 1.00 0.00 O ATOM 1318 CB LYS A 70 1.932 7.680 6.848 1.00 0.00 C ATOM 1319 CG LYS A 70 2.894 8.208 5.764 1.00 0.00 C ATOM 1320 CD LYS A 70 2.734 9.702 5.447 1.00 0.00 C ATOM 1321 CE LYS A 70 1.368 9.982 4.803 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.269 11.363 4.270 1.00 0.00 N ATOM 0 H LYS A 70 3.523 5.964 7.573 1.00 0.00 H new ATOM 0 HA LYS A 70 2.973 8.628 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.626 6.668 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.032 8.295 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.919 8.025 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.740 7.636 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.835 10.285 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.530 10.023 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.197 9.270 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.582 9.822 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.288 11.555 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.555 12.040 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.895 11.463 3.446 1.00 0.00 H new ATOM 1336 N ARG A 71 1.383 6.302 9.998 1.00 0.00 N ATOM 1337 CA ARG A 71 0.392 5.930 11.036 1.00 0.00 C ATOM 1338 C ARG A 71 -1.070 6.048 10.566 1.00 0.00 C ATOM 1339 O ARG A 71 -1.933 6.568 11.274 1.00 0.00 O ATOM 1340 CB ARG A 71 0.702 6.662 12.361 1.00 0.00 C ATOM 1341 CG ARG A 71 1.976 6.137 13.051 1.00 0.00 C ATOM 1342 CD ARG A 71 2.796 7.254 13.707 1.00 0.00 C ATOM 1343 NE ARG A 71 3.497 8.060 12.688 1.00 0.00 N ATOM 1344 CZ ARG A 71 3.674 9.366 12.650 1.00 0.00 C ATOM 1345 NH1 ARG A 71 3.239 10.170 13.579 1.00 0.00 N ATOM 1346 NH2 ARG A 71 4.315 9.881 11.642 1.00 0.00 N ATOM 0 H ARG A 71 2.068 5.564 9.835 1.00 0.00 H new ATOM 0 HA ARG A 71 0.499 4.863 11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.814 7.728 12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.145 6.551 13.039 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.698 5.403 13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.595 5.620 12.318 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.140 7.895 14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.521 6.822 14.397 1.00 0.00 H new ATOM 0 HE ARG A 71 3.898 7.537 11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.735 9.795 14.383 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.402 11.174 13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.670 9.277 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.463 10.889 11.593 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.341 5.587 9.339 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.658 5.697 8.682 1.00 0.00 C ATOM 1362 C LEU A 72 -3.703 4.687 9.197 1.00 0.00 C ATOM 1363 O LEU A 72 -4.891 4.821 8.909 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.490 5.564 7.156 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.525 6.571 6.513 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.380 6.295 5.018 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.997 8.012 6.696 1.00 0.00 C ATOM 0 H LEU A 72 -0.643 5.119 8.762 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.049 6.682 8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.140 4.556 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.468 5.673 6.688 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.565 6.449 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.693 7.018 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.990 5.288 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.354 6.381 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.285 8.691 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.976 8.136 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.067 8.240 7.760 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.282 3.670 9.949 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.179 2.727 10.623 1.00 0.00 C ATOM 1381 C TYR A 73 -5.038 3.320 11.754 1.00 0.00 C ATOM 1382 O TYR A 73 -4.585 4.221 12.465 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.432 1.461 11.065 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.126 1.740 11.790 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -0.922 1.886 11.070 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -2.129 1.887 13.191 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.275 2.178 11.752 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.934 2.180 13.873 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.273 2.322 13.157 1.00 0.00 C ATOM 1390 OH TYR A 73 1.427 2.599 13.823 1.00 0.00 O ATOM 0 H TYR A 73 -2.294 3.474 10.110 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.909 2.451 9.862 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.081 0.877 11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.226 0.847 10.188 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.918 1.774 9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.051 1.775 13.743 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.196 2.292 11.200 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.941 2.296 14.947 1.00 0.00 H new ATOM 0 HH TYR A 73 1.243 2.666 14.783 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.258 2.814 11.962 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.045 3.156 13.155 1.00 0.00 C ATOM 1402 C ASP A 74 -6.399 2.640 14.458 1.00 0.00 C ATOM 1403 O ASP A 74 -6.023 1.469 14.544 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.529 2.784 12.989 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.382 2.859 14.266 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.096 3.675 15.170 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.372 2.101 14.358 1.00 0.00 O ATOM 0 H ASP A 74 -6.722 2.168 11.323 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.031 4.241 13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.969 3.444 12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.588 1.770 12.593 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.264 3.489 15.481 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.717 3.095 16.786 1.00 0.00 C ATOM 1414 C GLU A 75 -6.541 1.982 17.467 1.00 0.00 C ATOM 1415 O GLU A 75 -5.963 1.144 18.167 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.562 4.327 17.698 1.00 0.00 C ATOM 1417 CG GLU A 75 -6.882 5.021 18.083 1.00 0.00 C ATOM 1418 CD GLU A 75 -6.689 6.306 18.920 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -5.552 6.629 19.347 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -7.697 7.012 19.170 1.00 0.00 O ATOM 0 H GLU A 75 -6.531 4.472 15.429 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.729 2.670 16.608 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.049 4.023 18.610 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.920 5.052 17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.430 5.269 17.174 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.499 4.321 18.646 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.862 1.930 17.227 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.753 0.859 17.705 1.00 0.00 C ATOM 1429 C LYS A 76 -8.714 -0.358 16.773 1.00 0.00 C ATOM 1430 O LYS A 76 -8.249 -1.423 17.182 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.190 1.383 17.915 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.309 2.621 18.825 1.00 0.00 C ATOM 1433 CD LYS A 76 -9.712 2.465 20.236 1.00 0.00 C ATOM 1434 CE LYS A 76 -10.323 1.325 21.067 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.755 1.565 21.396 1.00 0.00 N ATOM 0 H LYS A 76 -8.349 2.644 16.686 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.387 0.526 18.676 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.618 1.624 16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.794 0.581 18.339 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.819 3.461 18.333 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.363 2.879 18.922 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.639 2.296 20.146 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.843 3.402 20.777 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.232 0.389 20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.756 1.208 21.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.121 0.769 21.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.842 2.444 21.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.304 1.650 20.517 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.164 -0.213 15.524 1.00 0.00 N ATOM 1450 CA GLN A 77 -9.123 -1.271 14.508 1.00 0.00 C ATOM 1451 C GLN A 77 -7.787 -1.236 13.749 1.00 0.00 C ATOM 1452 O GLN A 77 -7.677 -0.675 12.658 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.338 -1.176 13.564 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.710 -1.185 14.264 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.980 -2.404 15.149 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.375 -3.463 15.034 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.918 -2.312 16.068 1.00 0.00 N ATOM 0 H GLN A 77 -9.574 0.657 15.184 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.187 -2.239 15.005 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.252 -0.261 12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.300 -2.009 12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.795 -0.286 14.875 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.489 -1.128 13.504 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.436 -1.441 16.183 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.127 -3.112 16.665 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.764 -1.881 14.319 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.389 -1.904 13.793 1.00 0.00 C ATOM 1468 C GLN A 78 -5.290 -2.508 12.379 1.00 0.00 C ATOM 1469 O GLN A 78 -4.341 -2.241 11.643 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.508 -2.698 14.774 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.317 -1.986 16.128 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.312 -0.838 16.072 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.303 -0.894 15.382 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.496 0.211 16.841 1.00 0.00 N ATOM 0 H GLN A 78 -6.869 -2.416 15.181 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.046 -0.873 13.704 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.956 -3.677 14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.532 -2.869 14.320 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.279 -1.601 16.467 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.986 -2.713 16.869 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.331 0.276 17.424 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.804 0.960 16.856 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.288 -3.306 11.995 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.419 -3.940 10.688 1.00 0.00 C ATOM 1485 C HIS A 79 -7.133 -3.073 9.627 1.00 0.00 C ATOM 1486 O HIS A 79 -7.390 -3.570 8.533 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.113 -5.294 10.889 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.582 -5.222 11.232 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.135 -5.241 12.494 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.620 -5.176 10.340 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.473 -5.205 12.365 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.818 -5.167 11.066 1.00 0.00 N ATOM 0 H HIS A 79 -7.062 -3.537 12.618 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.420 -4.078 10.275 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.998 -5.881 9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.597 -5.834 11.683 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.531 -5.151 9.264 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.172 -5.206 13.188 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.764 -5.137 10.685 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.478 -1.808 9.909 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.149 -0.893 8.964 1.00 0.00 C ATOM 1502 C ILE A 80 -7.303 0.368 8.749 1.00 0.00 C ATOM 1503 O ILE A 80 -6.918 1.040 9.708 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.591 -0.548 9.416 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.399 -1.820 9.762 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.314 0.264 8.323 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.847 -1.562 10.198 1.00 0.00 C ATOM 0 H ILE A 80 -7.296 -1.381 10.817 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.241 -1.407 8.007 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.520 0.056 10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.408 -2.476 8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.884 -2.355 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.326 0.499 8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.769 1.189 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.360 -0.322 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.335 -2.511 10.420 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.852 -0.934 11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.384 -1.057 9.395 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.024 0.692 7.484 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.255 1.870 7.044 1.00 0.00 C ATOM 1521 C VAL A 81 -7.204 2.983 6.595 1.00 0.00 C ATOM 1522 O VAL A 81 -8.171 2.720 5.881 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.277 1.485 5.913 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.472 2.682 5.387 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.270 0.432 6.394 1.00 0.00 C ATOM 0 H VAL A 81 -7.339 0.119 6.701 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.668 2.241 7.884 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.902 1.094 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.802 2.350 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.155 3.435 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.887 3.112 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.592 0.178 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.697 0.832 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.804 -0.463 6.714 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.904 4.227 6.980 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.632 5.449 6.625 1.00 0.00 C ATOM 1537 C TYR A 82 -6.748 6.499 5.941 1.00 0.00 C ATOM 1538 O TYR A 82 -5.720 6.897 6.491 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.322 6.051 7.858 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.457 5.225 8.436 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.169 4.135 9.280 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.797 5.560 8.155 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.215 3.368 9.825 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.847 4.794 8.699 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.557 3.690 9.533 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.563 2.943 10.066 1.00 0.00 O ATOM 0 H TYR A 82 -6.102 4.419 7.581 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.389 5.154 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.573 6.202 8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.709 7.035 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.143 3.887 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.019 6.406 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.990 2.530 10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.873 5.050 8.479 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.427 3.297 9.768 1.00 0.00 H new ATOM 1556 N CYS A 83 -7.143 6.976 4.760 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.434 8.022 4.029 1.00 0.00 C ATOM 1558 C CYS A 83 -7.384 8.677 3.013 1.00 0.00 C ATOM 1559 O CYS A 83 -7.745 8.077 2.000 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.210 7.401 3.336 1.00 0.00 C ATOM 1561 SG CYS A 83 -4.169 8.725 2.662 1.00 0.00 S ATOM 0 H CYS A 83 -7.977 6.640 4.279 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.090 8.799 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.641 6.801 4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.530 6.732 2.537 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.938 8.542 3.037 1.00 0.00 H new ATOM 1567 N SER A 84 -7.777 9.922 3.284 1.00 0.00 N ATOM 1568 CA SER A 84 -8.512 10.800 2.359 1.00 0.00 C ATOM 1569 C SER A 84 -7.736 12.093 2.057 1.00 0.00 C ATOM 1570 O SER A 84 -6.984 12.595 2.898 1.00 0.00 O ATOM 1571 CB SER A 84 -9.923 11.087 2.890 1.00 0.00 C ATOM 1572 OG SER A 84 -9.883 11.753 4.144 1.00 0.00 O ATOM 0 H SER A 84 -7.588 10.366 4.182 1.00 0.00 H new ATOM 0 HA SER A 84 -8.615 10.274 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.466 11.698 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.472 10.151 2.992 1.00 0.00 H new ATOM 0 HG SER A 84 -10.797 11.923 4.454 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.911 12.628 0.841 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.269 13.855 0.333 1.00 0.00 C ATOM 1580 C ASN A 85 -5.717 13.865 0.396 1.00 0.00 C ATOM 1581 O ASN A 85 -5.096 14.929 0.463 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.935 15.097 0.967 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.428 15.204 0.693 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.939 14.805 -0.346 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.179 15.791 1.599 1.00 0.00 N ATOM 0 H ASN A 85 -8.530 12.201 0.152 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.449 13.884 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.774 15.073 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.442 15.993 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.178 15.911 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.762 16.127 2.467 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.083 12.688 0.382 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.624 12.496 0.430 1.00 0.00 C ATOM 1594 C ASP A 86 -3.206 11.309 -0.475 1.00 0.00 C ATOM 1595 O ASP A 86 -4.051 10.530 -0.927 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.198 12.352 1.906 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.680 12.294 2.150 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.892 12.774 1.302 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.266 11.798 3.224 1.00 0.00 O ATOM 0 H ASP A 86 -5.591 11.804 0.335 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.096 13.360 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.608 13.191 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.649 11.446 2.310 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.906 11.165 -0.752 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.327 10.278 -1.771 1.00 0.00 C ATOM 1606 C LEU A 87 -1.814 8.817 -1.739 1.00 0.00 C ATOM 1607 O LEU A 87 -2.153 8.265 -2.786 1.00 0.00 O ATOM 1608 CB LEU A 87 0.209 10.379 -1.662 1.00 0.00 C ATOM 1609 CG LEU A 87 1.000 9.539 -2.683 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.644 9.900 -4.122 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.500 9.781 -2.503 1.00 0.00 C ATOM 0 H LEU A 87 -1.192 11.690 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.680 10.624 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.497 11.424 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.506 10.074 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 87 0.741 8.496 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.226 9.283 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.419 9.724 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.870 10.951 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.054 9.184 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.719 10.837 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.796 9.494 -1.494 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.883 8.183 -0.565 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.321 6.785 -0.451 1.00 0.00 C ATOM 1625 C LEU A 88 -3.829 6.600 -0.719 1.00 0.00 C ATOM 1626 O LEU A 88 -4.235 5.597 -1.308 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.856 6.235 0.904 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.123 4.726 1.061 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -0.898 4.043 1.649 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -3.299 4.439 1.995 1.00 0.00 C ATOM 0 H LEU A 88 -1.640 8.617 0.326 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.852 6.195 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.789 6.424 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.365 6.774 1.703 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.356 4.345 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.093 2.976 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.046 4.190 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.676 4.472 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.447 3.362 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.088 4.849 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.202 4.902 1.596 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.651 7.592 -0.371 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.066 7.654 -0.749 1.00 0.00 C ATOM 1644 C GLY A 89 -6.258 7.909 -2.247 1.00 0.00 C ATOM 1645 O GLY A 89 -7.100 7.272 -2.884 1.00 0.00 O ATOM 0 H GLY A 89 -4.348 8.388 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.554 6.718 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.557 8.445 -0.182 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.428 8.776 -2.836 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.390 9.021 -4.283 1.00 0.00 C ATOM 1651 C ASP A 90 -4.972 7.805 -5.127 1.00 0.00 C ATOM 1652 O ASP A 90 -5.476 7.607 -6.236 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.539 10.262 -4.605 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.183 11.613 -4.231 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.401 11.683 -3.935 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.462 12.638 -4.281 1.00 0.00 O ATOM 0 H ASP A 90 -4.754 9.336 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.421 9.216 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.586 10.175 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.319 10.265 -5.673 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.096 6.959 -4.575 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.737 5.649 -5.120 1.00 0.00 C ATOM 1663 C LEU A 91 -4.899 4.648 -5.019 1.00 0.00 C ATOM 1664 O LEU A 91 -5.361 4.141 -6.043 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.503 5.112 -4.372 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.165 5.685 -4.859 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.082 5.327 -3.858 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.786 5.119 -6.226 1.00 0.00 C ATOM 0 H LEU A 91 -3.603 7.176 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.508 5.769 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.613 5.332 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.477 4.027 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.264 6.767 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.873 5.730 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.331 5.751 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.009 4.243 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.166 5.544 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.695 4.035 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.558 5.374 -6.952 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.373 4.349 -3.802 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.429 3.353 -3.577 1.00 0.00 C ATOM 1682 C PHE A 92 -7.840 3.665 -4.103 1.00 0.00 C ATOM 1683 O PHE A 92 -8.627 2.749 -4.347 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.414 2.819 -2.134 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.347 1.777 -1.850 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.461 0.491 -2.414 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.257 2.072 -1.010 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.492 -0.493 -2.145 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.292 1.086 -0.732 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.414 -0.197 -1.295 1.00 0.00 C ATOM 0 H PHE A 92 -5.035 4.790 -2.947 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.143 2.543 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.272 3.658 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.390 2.389 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.297 0.259 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.161 3.057 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.577 -1.473 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.457 1.315 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.678 -0.955 -1.073 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.167 4.946 -4.299 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.478 5.393 -4.790 1.00 0.00 C ATOM 1702 C GLY A 93 -10.617 5.265 -3.765 1.00 0.00 C ATOM 1703 O GLY A 93 -11.790 5.312 -4.142 1.00 0.00 O ATOM 0 H GLY A 93 -7.520 5.714 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.400 6.435 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.737 4.815 -5.677 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.282 5.100 -2.480 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.218 4.958 -1.347 1.00 0.00 C ATOM 1709 C VAL A 94 -10.677 5.751 -0.144 1.00 0.00 C ATOM 1710 O VAL A 94 -9.459 5.882 0.005 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.399 3.482 -0.918 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.310 2.725 -1.885 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.093 2.691 -0.768 1.00 0.00 C ATOM 0 H VAL A 94 -9.307 5.059 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.186 5.339 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.853 3.551 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.415 1.692 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.291 3.200 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.875 2.743 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.320 1.669 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.564 2.678 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.466 3.163 -0.011 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.559 6.253 0.745 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.164 6.945 1.978 1.00 0.00 C ATOM 1725 C PRO A 95 -10.563 6.001 3.036 1.00 0.00 C ATOM 1726 O PRO A 95 -9.831 6.448 3.921 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.457 7.589 2.490 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.547 6.636 1.998 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.012 6.190 0.642 1.00 0.00 C ATOM 0 HA PRO A 95 -10.375 7.670 1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.460 7.676 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.591 8.594 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.685 5.794 2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.512 7.135 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.343 5.179 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.376 6.840 -0.154 1.00 0.00 H new ATOM 1737 N SER A 96 -10.873 4.703 2.967 1.00 0.00 N ATOM 1738 CA SER A 96 -10.404 3.666 3.895 1.00 0.00 C ATOM 1739 C SER A 96 -10.563 2.256 3.311 1.00 0.00 C ATOM 1740 O SER A 96 -11.347 2.048 2.379 1.00 0.00 O ATOM 1741 CB SER A 96 -11.165 3.762 5.227 1.00 0.00 C ATOM 1742 OG SER A 96 -12.558 3.544 5.049 1.00 0.00 O ATOM 0 H SER A 96 -11.480 4.330 2.237 1.00 0.00 H new ATOM 0 HA SER A 96 -9.341 3.840 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.768 3.028 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.003 4.745 5.669 1.00 0.00 H new ATOM 0 HG SER A 96 -13.013 3.610 5.915 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.836 1.276 3.860 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.989 -0.143 3.511 1.00 0.00 C ATOM 1750 C PHE A 97 -9.528 -1.042 4.678 1.00 0.00 C ATOM 1751 O PHE A 97 -8.663 -0.668 5.475 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.186 -0.462 2.233 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.674 -0.402 2.373 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.987 -1.536 2.839 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.951 0.760 2.040 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.594 -1.512 2.994 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.549 0.777 2.177 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.871 -0.359 2.658 1.00 0.00 C ATOM 0 H PHE A 97 -9.119 1.446 4.565 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.043 -0.345 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.462 -1.460 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.488 0.236 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.537 -2.434 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.470 1.636 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.078 -2.382 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.993 1.664 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.797 -0.342 2.768 1.00 0.00 H new ATOM 1768 N SER A 98 -10.086 -2.254 4.758 1.00 0.00 N ATOM 1769 CA SER A 98 -9.633 -3.312 5.675 1.00 0.00 C ATOM 1770 C SER A 98 -8.475 -4.120 5.082 1.00 0.00 C ATOM 1771 O SER A 98 -8.584 -4.659 3.980 1.00 0.00 O ATOM 1772 CB SER A 98 -10.795 -4.244 6.025 1.00 0.00 C ATOM 1773 OG SER A 98 -10.331 -5.328 6.810 1.00 0.00 O ATOM 0 H SER A 98 -10.878 -2.535 4.180 1.00 0.00 H new ATOM 0 HA SER A 98 -9.272 -2.827 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.562 -3.693 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.259 -4.618 5.112 1.00 0.00 H new ATOM 0 HG SER A 98 -11.082 -5.918 7.030 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.381 -4.262 5.832 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.222 -5.107 5.493 1.00 0.00 C ATOM 1781 C VAL A 99 -6.571 -6.602 5.460 1.00 0.00 C ATOM 1782 O VAL A 99 -5.941 -7.361 4.723 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.028 -4.808 6.420 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.744 -5.524 5.996 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.685 -3.311 6.481 1.00 0.00 C ATOM 0 H VAL A 99 -7.268 -3.778 6.723 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.923 -4.848 4.477 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.361 -5.170 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.941 -5.272 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.908 -6.602 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.467 -5.209 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.837 -3.159 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.430 -2.955 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.545 -2.756 6.855 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.617 -7.027 6.190 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.156 -8.402 6.148 1.00 0.00 C ATOM 1797 C LYS A 100 -8.850 -8.736 4.823 1.00 0.00 C ATOM 1798 O LYS A 100 -8.959 -9.908 4.462 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.127 -8.640 7.318 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.461 -8.497 8.696 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.456 -8.640 9.859 1.00 0.00 C ATOM 1802 CE LYS A 100 -10.032 -10.059 9.968 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.971 -10.178 11.114 1.00 0.00 N ATOM 0 H LYS A 100 -8.120 -6.418 6.835 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.298 -9.068 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.953 -7.933 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.554 -9.639 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.681 -9.252 8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.973 -7.524 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.958 -8.381 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.272 -7.929 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.550 -10.315 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.219 -10.775 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.342 -11.148 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.470 -9.957 11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.759 -9.512 10.988 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.306 -7.730 4.073 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.860 -7.882 2.719 1.00 0.00 C ATOM 1819 C GLU A 101 -8.775 -7.996 1.649 1.00 0.00 C ATOM 1820 O GLU A 101 -8.605 -7.177 0.743 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.918 -6.816 2.449 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.221 -7.268 3.110 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.969 -8.377 2.339 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.532 -8.775 1.237 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.005 -8.886 2.829 1.00 0.00 O ATOM 0 H GLU A 101 -9.302 -6.762 4.395 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.378 -8.839 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.601 -5.853 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.060 -6.683 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.000 -7.626 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.880 -6.406 3.215 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.039 -9.087 1.799 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.864 -9.440 0.997 1.00 0.00 C ATOM 1834 C HIS A 102 -7.206 -9.502 -0.501 1.00 0.00 C ATOM 1835 O HIS A 102 -6.526 -8.882 -1.316 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.267 -10.769 1.491 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.861 -10.794 2.949 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.899 -10.010 3.546 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.260 -11.708 3.889 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.738 -10.420 4.815 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.553 -11.457 5.075 1.00 0.00 N ATOM 0 H HIS A 102 -8.249 -9.785 2.513 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.115 -8.658 1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.996 -11.561 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.393 -11.004 0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.993 -12.488 3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.053 -9.980 5.524 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -5.640 -11.961 5.958 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.329 -10.146 -0.851 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.894 -10.219 -2.213 1.00 0.00 C ATOM 1851 C ARG A 103 -9.115 -8.844 -2.859 1.00 0.00 C ATOM 1852 O ARG A 103 -8.755 -8.651 -4.022 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.189 -11.063 -2.195 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.241 -10.612 -1.166 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.466 -11.531 -1.117 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.362 -11.080 -0.039 1.00 0.00 N ATOM 1857 CZ ARG A 103 -14.429 -11.671 0.457 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -14.904 -12.780 -0.037 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -15.036 -11.141 1.477 1.00 0.00 N ATOM 0 H ARG A 103 -8.893 -10.651 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.156 -10.711 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.638 -11.035 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.926 -12.101 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.782 -10.575 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.564 -9.599 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.989 -11.512 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.157 -12.562 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.122 -10.183 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.446 -13.220 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.733 -13.208 0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.685 -10.275 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.863 -11.591 1.868 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.654 -7.876 -2.106 1.00 0.00 N ATOM 1874 CA LYS A 104 -9.891 -6.502 -2.579 1.00 0.00 C ATOM 1875 C LYS A 104 -8.570 -5.754 -2.762 1.00 0.00 C ATOM 1876 O LYS A 104 -8.359 -5.123 -3.796 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.836 -5.772 -1.606 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.338 -4.442 -2.193 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.153 -3.645 -1.162 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.551 -2.251 -1.672 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.497 -2.307 -2.820 1.00 0.00 N ATOM 0 H LYS A 104 -9.942 -8.025 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.373 -6.537 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.687 -6.413 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.316 -5.582 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.488 -3.846 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.953 -4.639 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.053 -4.204 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.571 -3.540 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.007 -1.688 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.654 -1.709 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.732 -1.340 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.055 -2.820 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.366 -2.800 -2.530 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.650 -5.873 -1.804 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.314 -5.268 -1.905 1.00 0.00 C ATOM 1897 C ILE A 105 -5.556 -5.821 -3.116 1.00 0.00 C ATOM 1898 O ILE A 105 -5.024 -5.035 -3.893 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.530 -5.417 -0.583 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.210 -4.548 0.498 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.056 -4.994 -0.744 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.717 -4.823 1.919 1.00 0.00 C ATOM 0 H ILE A 105 -7.805 -6.389 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.429 -4.197 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.539 -6.467 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.042 -3.497 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.286 -4.715 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.537 -5.113 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.578 -5.619 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.009 -3.950 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.243 -4.173 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.910 -5.865 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.646 -4.628 1.977 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.569 -7.136 -3.354 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.902 -7.737 -4.512 1.00 0.00 C ATOM 1916 C TYR A 106 -5.371 -7.193 -5.871 1.00 0.00 C ATOM 1917 O TYR A 106 -4.541 -6.836 -6.708 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.995 -9.270 -4.471 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.297 -9.993 -3.327 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.066 -9.551 -2.793 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.899 -11.156 -2.808 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.454 -10.260 -1.738 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.280 -11.879 -1.775 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.056 -11.436 -1.239 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.464 -12.165 -0.258 1.00 0.00 O ATOM 0 H TYR A 106 -6.040 -7.811 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.857 -7.439 -4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.050 -9.541 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.591 -9.655 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.592 -8.667 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.844 -11.494 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.527 -9.904 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.744 -12.776 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.532 -11.880 -0.156 1.00 0.00 H new ATOM 1935 N THR A 107 -6.688 -7.060 -6.080 1.00 0.00 N ATOM 1936 CA THR A 107 -7.237 -6.433 -7.298 1.00 0.00 C ATOM 1937 C THR A 107 -6.951 -4.931 -7.436 1.00 0.00 C ATOM 1938 O THR A 107 -6.608 -4.456 -8.522 1.00 0.00 O ATOM 1939 CB THR A 107 -8.704 -6.826 -7.552 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.002 -6.707 -8.924 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.732 -5.974 -6.810 1.00 0.00 C ATOM 0 H THR A 107 -7.398 -7.378 -5.421 1.00 0.00 H new ATOM 0 HA THR A 107 -6.668 -6.864 -8.122 1.00 0.00 H new ATOM 0 HB THR A 107 -8.782 -7.849 -7.184 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.936 -6.960 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.736 -6.324 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.566 -6.057 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.629 -4.932 -7.114 1.00 0.00 H new ATOM 1949 N MET A 108 -6.975 -4.179 -6.326 1.00 0.00 N ATOM 1950 CA MET A 108 -6.559 -2.768 -6.315 1.00 0.00 C ATOM 1951 C MET A 108 -5.061 -2.598 -6.623 1.00 0.00 C ATOM 1952 O MET A 108 -4.700 -1.759 -7.446 1.00 0.00 O ATOM 1953 CB MET A 108 -6.933 -2.086 -4.988 1.00 0.00 C ATOM 1954 CG MET A 108 -8.454 -1.934 -4.827 1.00 0.00 C ATOM 1955 SD MET A 108 -9.019 -0.848 -3.480 1.00 0.00 S ATOM 1956 CE MET A 108 -8.359 -1.671 -2.003 1.00 0.00 C ATOM 0 H MET A 108 -7.281 -4.528 -5.417 1.00 0.00 H new ATOM 0 HA MET A 108 -7.107 -2.272 -7.116 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.537 -2.669 -4.157 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.463 -1.103 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.861 -1.556 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.882 -2.924 -4.670 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.682 -1.133 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.728 -2.696 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.270 -1.679 -2.047 1.00 0.00 H new ATOM 1966 N MET A 109 -4.188 -3.432 -6.051 1.00 0.00 N ATOM 1967 CA MET A 109 -2.744 -3.421 -6.325 1.00 0.00 C ATOM 1968 C MET A 109 -2.427 -3.816 -7.771 1.00 0.00 C ATOM 1969 O MET A 109 -1.578 -3.192 -8.407 1.00 0.00 O ATOM 1970 CB MET A 109 -2.002 -4.348 -5.347 1.00 0.00 C ATOM 1971 CG MET A 109 -1.987 -3.824 -3.904 1.00 0.00 C ATOM 1972 SD MET A 109 -1.262 -2.183 -3.647 1.00 0.00 S ATOM 1973 CE MET A 109 0.463 -2.476 -4.116 1.00 0.00 C ATOM 0 H MET A 109 -4.466 -4.144 -5.375 1.00 0.00 H new ATOM 0 HA MET A 109 -2.398 -2.397 -6.182 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.471 -5.332 -5.364 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.975 -4.478 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.013 -3.805 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.442 -4.538 -3.287 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.121 -2.127 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.621 -3.543 -4.275 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.687 -1.935 -5.035 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.151 -4.791 -8.329 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.041 -5.166 -9.738 1.00 0.00 C ATOM 1985 C ALA A 110 -3.463 -4.023 -10.690 1.00 0.00 C ATOM 1986 O ALA A 110 -2.886 -3.868 -11.768 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.884 -6.427 -9.948 1.00 0.00 C ATOM 0 H ALA A 110 -3.833 -5.344 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.998 -5.366 -9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.824 -6.735 -10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.507 -7.227 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.922 -6.218 -9.691 1.00 0.00 H new ATOM 1993 N SER A 111 -4.417 -3.176 -10.280 1.00 0.00 N ATOM 1994 CA SER A 111 -4.784 -1.952 -11.009 1.00 0.00 C ATOM 1995 C SER A 111 -3.680 -0.880 -10.950 1.00 0.00 C ATOM 1996 O SER A 111 -3.431 -0.198 -11.948 1.00 0.00 O ATOM 1997 CB SER A 111 -6.116 -1.409 -10.474 1.00 0.00 C ATOM 1998 OG SER A 111 -6.549 -0.280 -11.214 1.00 0.00 O ATOM 0 H SER A 111 -4.959 -3.321 -9.428 1.00 0.00 H new ATOM 0 HA SER A 111 -4.901 -2.212 -12.061 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.875 -2.190 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.004 -1.137 -9.424 1.00 0.00 H new ATOM 0 HG SER A 111 -7.400 0.042 -10.851 1.00 0.00 H new ATOM 2004 N MET A 112 -2.941 -0.757 -9.837 1.00 0.00 N ATOM 2005 CA MET A 112 -1.836 0.216 -9.710 1.00 0.00 C ATOM 2006 C MET A 112 -0.660 -0.037 -10.663 1.00 0.00 C ATOM 2007 O MET A 112 0.026 0.904 -11.063 1.00 0.00 O ATOM 2008 CB MET A 112 -1.287 0.286 -8.282 1.00 0.00 C ATOM 2009 CG MET A 112 -2.345 0.756 -7.294 1.00 0.00 C ATOM 2010 SD MET A 112 -1.731 1.096 -5.630 1.00 0.00 S ATOM 2011 CE MET A 112 -3.343 1.378 -4.872 1.00 0.00 C ATOM 0 H MET A 112 -3.088 -1.324 -9.002 1.00 0.00 H new ATOM 0 HA MET A 112 -2.296 1.165 -9.985 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.922 -0.697 -7.984 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.435 0.965 -8.253 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.811 1.660 -7.686 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.125 -0.003 -7.230 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.208 1.782 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.910 2.087 -5.476 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.887 0.435 -4.813 1.00 0.00 H new ATOM 2021 N THR A 113 -0.443 -1.295 -11.044 1.00 0.00 N ATOM 2022 CA THR A 113 0.561 -1.727 -12.033 1.00 0.00 C ATOM 2023 C THR A 113 0.069 -1.775 -13.487 1.00 0.00 C ATOM 2024 O THR A 113 0.843 -2.056 -14.405 1.00 0.00 O ATOM 2025 CB THR A 113 1.338 -2.968 -11.564 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.606 -4.138 -11.853 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.660 -2.945 -10.061 1.00 0.00 C ATOM 0 H THR A 113 -0.978 -2.075 -10.662 1.00 0.00 H new ATOM 0 HA THR A 113 1.294 -0.921 -12.076 1.00 0.00 H new ATOM 0 HB THR A 113 2.283 -2.959 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.111 -4.922 -11.552 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.209 -3.848 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.268 -2.069 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.732 -2.902 -9.491 1.00 0.00 H new ATOM 2035 N GLY A 114 -1.210 -1.443 -13.708 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.792 -1.169 -15.026 1.00 0.00 C ATOM 2037 C GLY A 114 -1.556 0.286 -15.467 1.00 0.00 C ATOM 2038 O GLY A 114 -0.955 1.082 -14.736 1.00 0.00 O ATOM 0 H GLY A 114 -1.888 -1.355 -12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.358 -1.846 -15.762 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.863 -1.371 -14.999 1.00 0.00 H new ATOM 2042 N GLY A 115 -2.060 0.647 -16.653 1.00 0.00 N ATOM 2043 CA GLY A 115 -1.905 1.980 -17.265 1.00 0.00 C ATOM 2044 C GLY A 115 -2.437 3.151 -16.422 1.00 0.00 C ATOM 2045 O GLY A 115 -3.131 2.952 -15.424 1.00 0.00 O ATOM 0 H GLY A 115 -2.602 0.006 -17.232 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -0.847 2.149 -17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.418 1.983 -18.227 1.00 0.00 H new ATOM 2049 N GLN A 116 -2.084 4.380 -16.806 1.00 0.00 N ATOM 2050 CA GLN A 116 -2.338 5.613 -16.042 1.00 0.00 C ATOM 2051 C GLN A 116 -3.818 6.064 -16.017 1.00 0.00 C ATOM 2052 O GLN A 116 -4.546 5.914 -17.001 1.00 0.00 O ATOM 2053 CB GLN A 116 -1.370 6.699 -16.564 1.00 0.00 C ATOM 2054 CG GLN A 116 -1.550 8.143 -16.058 1.00 0.00 C ATOM 2055 CD GLN A 116 -1.353 8.346 -14.553 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -1.685 7.509 -13.725 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -0.853 9.486 -14.130 1.00 0.00 N ATOM 0 H GLN A 116 -1.597 4.555 -17.685 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.140 5.416 -14.988 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.355 6.385 -16.319 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.445 6.716 -17.651 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.847 8.785 -16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -2.552 8.480 -16.324 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.569 10.199 -14.802 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.749 9.657 -13.130 1.00 0.00 H new ATOM 2066 N GLN A 117 -4.243 6.673 -14.900 1.00 0.00 N ATOM 2067 CA GLN A 117 -5.559 7.304 -14.681 1.00 0.00 C ATOM 2068 C GLN A 117 -5.405 8.805 -14.353 1.00 0.00 C ATOM 2069 O GLN A 117 -5.675 9.254 -13.236 1.00 0.00 O ATOM 2070 CB GLN A 117 -6.373 6.552 -13.602 1.00 0.00 C ATOM 2071 CG GLN A 117 -6.922 5.184 -14.042 1.00 0.00 C ATOM 2072 CD GLN A 117 -5.865 4.089 -14.132 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -4.945 3.987 -13.329 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -5.956 3.212 -15.107 1.00 0.00 N ATOM 0 H GLN A 117 -3.645 6.744 -14.076 1.00 0.00 H new ATOM 0 HA GLN A 117 -6.126 7.233 -15.609 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -5.742 6.409 -12.725 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.208 7.181 -13.294 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.695 4.872 -13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.401 5.293 -15.015 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.715 3.280 -15.785 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.268 2.463 -15.185 1.00 0.00 H new ATOM 2083 N MET A 118 -4.918 9.589 -15.322 1.00 0.00 N ATOM 2084 CA MET A 118 -4.685 11.037 -15.163 1.00 0.00 C ATOM 2085 C MET A 118 -5.989 11.866 -15.146 1.00 0.00 C ATOM 2086 O MET A 118 -6.053 12.902 -14.477 1.00 0.00 O ATOM 2087 CB MET A 118 -3.729 11.505 -16.275 1.00 0.00 C ATOM 2088 CG MET A 118 -3.362 12.991 -16.170 1.00 0.00 C ATOM 2089 SD MET A 118 -2.011 13.523 -17.261 1.00 0.00 S ATOM 2090 CE MET A 118 -2.809 13.371 -18.883 1.00 0.00 C ATOM 0 H MET A 118 -4.671 9.238 -16.247 1.00 0.00 H new ATOM 0 HA MET A 118 -4.231 11.205 -14.186 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.817 10.909 -16.237 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.191 11.319 -17.245 1.00 0.00 H new ATOM 0 HG2 MET A 118 -4.247 13.586 -16.395 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.085 13.210 -15.139 1.00 0.00 H new ATOM 0 HE1 MET A 118 -2.118 13.697 -19.660 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.086 12.331 -19.056 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.703 13.994 -18.908 1.00 0.00 H new ATOM 2100 N GLY A 119 -7.025 11.411 -15.866 1.00 0.00 N ATOM 2101 CA GLY A 119 -8.359 12.037 -15.944 1.00 0.00 C ATOM 2102 C GLY A 119 -9.232 11.761 -14.717 1.00 0.00 C ATOM 2103 O GLY A 119 -9.521 10.573 -14.451 1.00 0.00 O ATOM 2104 OXT GLY A 119 -9.647 12.734 -14.048 1.00 0.00 O ATOM 0 H GLY A 119 -6.957 10.565 -16.432 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.241 13.114 -16.062 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.871 11.673 -16.835 1.00 0.00 H new TER 2108 GLY A 119