USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 30 LYS NZ :NH3+ -140:sc= 0.384 (180deg=0.0444) USER MOD Set 1.2: A 31 TYR OH : rot 180:sc= 0.0114 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= -0.271 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.49 K(o=1.2,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ -151:sc= 0.00967 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0446 (180deg=-0.243) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 63:sc= 0.362 USER MOD Single : A 29 LYS NZ :NH3+ -126:sc= 1.21 (180deg=-0.247) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.0061) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.751 K(o=0.75,f=-5.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.17) USER MOD Single : A 57 ASN : amide:sc= 0.286 K(o=0.29,f=-1.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.033 -8.300 19.091 1.00 50.33 N ATOM 2 CA GLY A 1 -5.944 -8.602 17.656 1.00 25.02 C ATOM 3 C GLY A 1 -6.483 -9.996 17.420 1.00 25.35 C ATOM 4 O GLY A 1 -7.591 -10.290 17.872 1.00 31.04 O ATOM 0 H1 GLY A 1 -6.150 -7.275 19.223 1.00 50.33 H new ATOM 0 H2 GLY A 1 -6.850 -8.797 19.500 1.00 50.33 H new ATOM 0 H3 GLY A 1 -5.163 -8.614 19.566 1.00 50.33 H new ATOM 0 HA2 GLY A 1 -6.515 -7.874 17.080 1.00 25.02 H new ATOM 0 HA3 GLY A 1 -4.910 -8.535 17.319 1.00 25.02 H new ATOM 8 N ALA A 2 -5.719 -10.868 16.761 1.00 65.33 N ATOM 9 CA ALA A 2 -5.895 -12.314 16.825 1.00 30.03 C ATOM 10 C ALA A 2 -4.505 -12.954 16.788 1.00 62.02 C ATOM 11 O ALA A 2 -3.614 -12.402 16.131 1.00 30.03 O ATOM 12 CB ALA A 2 -6.752 -12.813 15.662 1.00 70.40 C ATOM 0 H ALA A 2 -4.948 -10.581 16.158 1.00 65.33 H new ATOM 0 HA ALA A 2 -6.414 -12.588 17.744 1.00 30.03 H new ATOM 0 HB1 ALA A 2 -6.868 -13.894 15.733 1.00 70.40 H new ATOM 0 HB2 ALA A 2 -7.733 -12.339 15.703 1.00 70.40 H new ATOM 0 HB3 ALA A 2 -6.267 -12.561 14.719 1.00 70.40 H new ATOM 18 N PRO A 3 -4.285 -14.091 17.465 1.00 70.23 N ATOM 19 CA PRO A 3 -2.942 -14.589 17.709 1.00 52.52 C ATOM 20 C PRO A 3 -2.187 -14.960 16.434 1.00 54.51 C ATOM 21 O PRO A 3 -2.722 -15.583 15.511 1.00 41.44 O ATOM 22 CB PRO A 3 -3.077 -15.760 18.682 1.00 53.22 C ATOM 23 CG PRO A 3 -4.568 -16.094 18.717 1.00 71.21 C ATOM 24 CD PRO A 3 -5.265 -14.826 18.246 1.00 42.32 C ATOM 0 HA PRO A 3 -2.328 -13.800 18.143 1.00 52.52 H new ATOM 0 HB2 PRO A 3 -2.491 -16.616 18.349 1.00 53.22 H new ATOM 0 HB3 PRO A 3 -2.712 -15.490 19.673 1.00 53.22 H new ATOM 0 HG2 PRO A 3 -4.799 -16.937 18.066 1.00 71.21 H new ATOM 0 HG3 PRO A 3 -4.887 -16.370 19.722 1.00 71.21 H new ATOM 0 HD2 PRO A 3 -6.142 -15.064 17.645 1.00 42.32 H new ATOM 0 HD3 PRO A 3 -5.611 -14.234 19.093 1.00 42.32 H new ATOM 32 N GLY A 4 -0.907 -14.609 16.429 1.00 52.24 N ATOM 33 CA GLY A 4 0.066 -14.845 15.383 1.00 14.11 C ATOM 34 C GLY A 4 1.455 -14.758 16.012 1.00 75.32 C ATOM 35 O GLY A 4 1.573 -14.733 17.244 1.00 33.13 O ATOM 0 H GLY A 4 -0.496 -14.114 17.220 1.00 52.24 H new ATOM 0 HA2 GLY A 4 -0.088 -15.825 14.931 1.00 14.11 H new ATOM 0 HA3 GLY A 4 -0.041 -14.107 14.588 1.00 14.11 H new ATOM 39 N GLY A 5 2.507 -14.739 15.196 1.00 3.23 N ATOM 40 CA GLY A 5 3.874 -14.671 15.702 1.00 12.51 C ATOM 41 C GLY A 5 4.901 -14.044 14.764 1.00 40.54 C ATOM 42 O GLY A 5 6.036 -13.828 15.189 1.00 4.54 O ATOM 0 H GLY A 5 2.437 -14.770 14.179 1.00 3.23 H new ATOM 0 HA2 GLY A 5 3.868 -14.105 16.634 1.00 12.51 H new ATOM 0 HA3 GLY A 5 4.202 -15.682 15.945 1.00 12.51 H new ATOM 46 N LYS A 6 4.573 -13.768 13.500 1.00 1.42 N ATOM 47 CA LYS A 6 5.446 -13.022 12.595 1.00 22.45 C ATOM 48 C LYS A 6 4.609 -12.372 11.498 1.00 20.21 C ATOM 49 O LYS A 6 3.472 -12.782 11.263 1.00 60.14 O ATOM 50 CB LYS A 6 6.582 -13.906 12.038 1.00 62.23 C ATOM 51 CG LYS A 6 6.202 -15.258 11.406 1.00 52.40 C ATOM 52 CD LYS A 6 5.996 -16.416 12.403 1.00 31.45 C ATOM 53 CE LYS A 6 5.904 -17.789 11.719 1.00 20.22 C ATOM 54 NZ LYS A 6 7.145 -18.163 11.009 1.00 0.23 N ATOM 0 H LYS A 6 3.692 -14.057 13.075 1.00 1.42 H new ATOM 0 HA LYS A 6 5.942 -12.227 13.153 1.00 22.45 H new ATOM 0 HB2 LYS A 6 7.119 -13.326 11.288 1.00 62.23 H new ATOM 0 HB3 LYS A 6 7.282 -14.102 12.851 1.00 62.23 H new ATOM 0 HG2 LYS A 6 5.285 -15.127 10.832 1.00 52.40 H new ATOM 0 HG3 LYS A 6 6.982 -15.543 10.700 1.00 52.40 H new ATOM 0 HD2 LYS A 6 6.821 -16.426 13.115 1.00 31.45 H new ATOM 0 HD3 LYS A 6 5.084 -16.239 12.974 1.00 31.45 H new ATOM 0 HE2 LYS A 6 5.677 -18.548 12.468 1.00 20.22 H new ATOM 0 HE3 LYS A 6 5.075 -17.782 11.011 1.00 20.22 H new ATOM 0 HZ1 LYS A 6 7.126 -19.179 10.788 1.00 0.23 H new ATOM 0 HZ2 LYS A 6 7.218 -17.618 10.126 1.00 0.23 H new ATOM 0 HZ3 LYS A 6 7.966 -17.956 11.613 1.00 0.23 H new ATOM 68 N SER A 7 5.145 -11.356 10.834 1.00 24.22 N ATOM 69 CA SER A 7 4.408 -10.494 9.928 1.00 53.24 C ATOM 70 C SER A 7 5.253 -10.327 8.668 1.00 62.34 C ATOM 71 O SER A 7 6.436 -9.968 8.745 1.00 35.41 O ATOM 72 CB SER A 7 4.155 -9.182 10.679 1.00 63.01 C ATOM 73 OG SER A 7 3.269 -8.277 10.046 1.00 53.14 O ATOM 0 H SER A 7 6.130 -11.105 10.915 1.00 24.22 H new ATOM 0 HA SER A 7 3.443 -10.894 9.617 1.00 53.24 H new ATOM 0 HB2 SER A 7 3.759 -9.420 11.666 1.00 63.01 H new ATOM 0 HB3 SER A 7 5.111 -8.681 10.831 1.00 63.01 H new ATOM 0 HG SER A 7 3.170 -7.474 10.600 1.00 53.14 H new ATOM 79 N ARG A 8 4.669 -10.606 7.500 1.00 21.32 N ATOM 80 CA ARG A 8 5.354 -10.500 6.215 1.00 73.30 C ATOM 81 C ARG A 8 5.739 -9.053 5.941 1.00 52.01 C ATOM 82 O ARG A 8 5.179 -8.128 6.538 1.00 41.43 O ATOM 83 CB ARG A 8 4.465 -11.077 5.098 1.00 21.25 C ATOM 84 CG ARG A 8 3.393 -10.119 4.547 1.00 21.55 C ATOM 85 CD ARG A 8 2.247 -10.895 3.894 1.00 34.21 C ATOM 86 NE ARG A 8 1.361 -11.478 4.920 1.00 74.24 N ATOM 87 CZ ARG A 8 0.171 -11.009 5.317 1.00 4.45 C ATOM 88 NH1 ARG A 8 -0.343 -9.921 4.751 1.00 33.31 N ATOM 89 NH2 ARG A 8 -0.513 -11.640 6.262 1.00 15.22 N ATOM 0 H ARG A 8 3.700 -10.914 7.422 1.00 21.32 H new ATOM 0 HA ARG A 8 6.274 -11.084 6.244 1.00 73.30 H new ATOM 0 HB2 ARG A 8 5.105 -11.392 4.274 1.00 21.25 H new ATOM 0 HB3 ARG A 8 3.969 -11.971 5.476 1.00 21.25 H new ATOM 0 HG2 ARG A 8 3.004 -9.500 5.355 1.00 21.55 H new ATOM 0 HG3 ARG A 8 3.843 -9.445 3.818 1.00 21.55 H new ATOM 0 HD2 ARG A 8 1.674 -10.231 3.246 1.00 34.21 H new ATOM 0 HD3 ARG A 8 2.650 -11.686 3.262 1.00 34.21 H new ATOM 0 HE ARG A 8 1.690 -12.329 5.376 1.00 74.24 H new ATOM 0 HH11 ARG A 8 0.169 -9.440 4.012 1.00 33.31 H new ATOM 0 HH12 ARG A 8 -1.250 -9.567 5.056 1.00 33.31 H new ATOM 0 HH21 ARG A 8 -0.133 -12.485 6.689 1.00 15.22 H new ATOM 0 HH22 ARG A 8 -1.419 -11.280 6.562 1.00 15.22 H new ATOM 103 N ARG A 9 6.660 -8.840 5.001 1.00 0.01 N ATOM 104 CA ARG A 9 7.033 -7.495 4.568 1.00 2.02 C ATOM 105 C ARG A 9 7.394 -7.411 3.084 1.00 73.43 C ATOM 106 O ARG A 9 7.986 -6.415 2.674 1.00 73.32 O ATOM 107 CB ARG A 9 8.108 -6.900 5.503 1.00 22.33 C ATOM 108 CG ARG A 9 9.510 -7.537 5.472 1.00 44.34 C ATOM 109 CD ARG A 9 9.669 -8.691 6.472 1.00 31.35 C ATOM 110 NE ARG A 9 11.089 -9.044 6.649 1.00 3.03 N ATOM 111 CZ ARG A 9 11.742 -9.153 7.814 1.00 2.35 C ATOM 112 NH1 ARG A 9 11.084 -9.189 8.966 1.00 11.32 N ATOM 113 NH2 ARG A 9 13.069 -9.223 7.848 1.00 24.52 N ATOM 0 H ARG A 9 7.164 -9.587 4.523 1.00 0.01 H new ATOM 0 HA ARG A 9 6.147 -6.867 4.657 1.00 2.02 H new ATOM 0 HB2 ARG A 9 8.214 -5.842 5.263 1.00 22.33 H new ATOM 0 HB3 ARG A 9 7.734 -6.959 6.525 1.00 22.33 H new ATOM 0 HG2 ARG A 9 9.713 -7.905 4.466 1.00 44.34 H new ATOM 0 HG3 ARG A 9 10.255 -6.772 5.688 1.00 44.34 H new ATOM 0 HD2 ARG A 9 9.239 -8.407 7.432 1.00 31.35 H new ATOM 0 HD3 ARG A 9 9.115 -9.561 6.120 1.00 31.35 H new ATOM 0 HE ARG A 9 11.628 -9.223 5.801 1.00 3.03 H new ATOM 0 HH11 ARG A 9 10.066 -9.133 8.974 1.00 11.32 H new ATOM 0 HH12 ARG A 9 11.597 -9.272 9.844 1.00 11.32 H new ATOM 0 HH21 ARG A 9 13.604 -9.194 6.980 1.00 24.52 H new ATOM 0 HH22 ARG A 9 13.553 -9.306 8.742 1.00 24.52 H new ATOM 127 N ARG A 10 7.059 -8.418 2.272 1.00 64.24 N ATOM 128 CA ARG A 10 7.145 -8.351 0.808 1.00 72.50 C ATOM 129 C ARG A 10 5.780 -7.944 0.247 1.00 52.21 C ATOM 130 O ARG A 10 4.794 -7.994 0.981 1.00 74.14 O ATOM 131 CB ARG A 10 7.547 -9.729 0.255 1.00 15.03 C ATOM 132 CG ARG A 10 8.991 -10.135 0.586 1.00 44.32 C ATOM 133 CD ARG A 10 10.013 -9.518 -0.386 1.00 24.35 C ATOM 134 NE ARG A 10 11.402 -9.762 0.039 1.00 3.35 N ATOM 135 CZ ARG A 10 12.033 -10.939 0.129 1.00 40.44 C ATOM 136 NH1 ARG A 10 11.443 -12.067 -0.258 1.00 12.21 N ATOM 137 NH2 ARG A 10 13.258 -10.969 0.622 1.00 2.32 N ATOM 0 H ARG A 10 6.716 -9.315 2.616 1.00 64.24 H new ATOM 0 HA ARG A 10 7.894 -7.616 0.513 1.00 72.50 H new ATOM 0 HB2 ARG A 10 6.868 -10.482 0.654 1.00 15.03 H new ATOM 0 HB3 ARG A 10 7.420 -9.726 -0.828 1.00 15.03 H new ATOM 0 HG2 ARG A 10 9.228 -9.824 1.603 1.00 44.32 H new ATOM 0 HG3 ARG A 10 9.076 -11.221 0.556 1.00 44.32 H new ATOM 0 HD2 ARG A 10 9.861 -9.934 -1.382 1.00 24.35 H new ATOM 0 HD3 ARG A 10 9.840 -8.444 -0.459 1.00 24.35 H new ATOM 0 HE ARG A 10 11.946 -8.938 0.294 1.00 3.35 H new ATOM 0 HH11 ARG A 10 10.494 -12.044 -0.631 1.00 12.21 H new ATOM 0 HH12 ARG A 10 11.940 -12.955 -0.182 1.00 12.21 H new ATOM 0 HH21 ARG A 10 13.707 -10.105 0.926 1.00 2.32 H new ATOM 0 HH22 ARG A 10 13.755 -11.856 0.699 1.00 2.32 H new ATOM 151 N ARG A 11 5.722 -7.573 -1.035 1.00 52.24 N ATOM 152 CA ARG A 11 4.488 -7.304 -1.778 1.00 41.34 C ATOM 153 C ARG A 11 3.622 -8.573 -1.823 1.00 14.15 C ATOM 154 O ARG A 11 4.143 -9.676 -1.674 1.00 64.12 O ATOM 155 CB ARG A 11 4.917 -6.808 -3.175 1.00 33.41 C ATOM 156 CG ARG A 11 3.797 -6.336 -4.117 1.00 51.01 C ATOM 157 CD ARG A 11 4.371 -5.697 -5.396 1.00 63.40 C ATOM 158 NE ARG A 11 5.180 -6.658 -6.163 1.00 54.32 N ATOM 159 CZ ARG A 11 6.123 -6.404 -7.077 1.00 4.24 C ATOM 160 NH1 ARG A 11 6.405 -5.165 -7.484 1.00 43.34 N ATOM 161 NH2 ARG A 11 6.784 -7.443 -7.568 1.00 31.15 N ATOM 0 H ARG A 11 6.560 -7.448 -1.603 1.00 52.24 H new ATOM 0 HA ARG A 11 3.871 -6.541 -1.304 1.00 41.34 H new ATOM 0 HB2 ARG A 11 5.619 -5.985 -3.042 1.00 33.41 H new ATOM 0 HB3 ARG A 11 5.460 -7.613 -3.670 1.00 33.41 H new ATOM 0 HG2 ARG A 11 3.163 -7.182 -4.384 1.00 51.01 H new ATOM 0 HG3 ARG A 11 3.165 -5.614 -3.600 1.00 51.01 H new ATOM 0 HD2 ARG A 11 3.555 -5.329 -6.018 1.00 63.40 H new ATOM 0 HD3 ARG A 11 4.983 -4.835 -5.130 1.00 63.40 H new ATOM 0 HE ARG A 11 4.998 -7.644 -5.973 1.00 54.32 H new ATOM 0 HH11 ARG A 11 5.894 -4.372 -7.096 1.00 43.34 H new ATOM 0 HH12 ARG A 11 7.131 -5.011 -8.183 1.00 43.34 H new ATOM 0 HH21 ARG A 11 6.564 -8.386 -7.246 1.00 31.15 H new ATOM 0 HH22 ARG A 11 7.512 -7.300 -8.268 1.00 31.15 H new ATOM 175 N THR A 12 2.318 -8.422 -2.064 1.00 0.23 N ATOM 176 CA THR A 12 1.338 -9.508 -2.034 1.00 22.43 C ATOM 177 C THR A 12 0.568 -9.571 -3.358 1.00 22.34 C ATOM 178 O THR A 12 0.571 -8.610 -4.124 1.00 3.44 O ATOM 179 CB THR A 12 0.404 -9.343 -0.813 1.00 34.32 C ATOM 180 OG1 THR A 12 0.995 -8.627 0.259 1.00 4.31 O ATOM 181 CG2 THR A 12 -0.071 -10.674 -0.225 1.00 72.30 C ATOM 0 H THR A 12 1.905 -7.518 -2.291 1.00 0.23 H new ATOM 0 HA THR A 12 1.854 -10.462 -1.922 1.00 22.43 H new ATOM 0 HB THR A 12 -0.436 -8.786 -1.227 1.00 34.32 H new ATOM 0 HG1 THR A 12 0.355 -8.556 0.997 1.00 4.31 H new ATOM 0 HG21 THR A 12 -0.722 -10.483 0.628 1.00 72.30 H new ATOM 0 HG22 THR A 12 -0.621 -11.231 -0.984 1.00 72.30 H new ATOM 0 HG23 THR A 12 0.791 -11.257 0.100 1.00 72.30 H new ATOM 189 N ALA A 13 -0.094 -10.706 -3.618 1.00 33.14 N ATOM 190 CA ALA A 13 -0.900 -10.981 -4.805 1.00 71.52 C ATOM 191 C ALA A 13 -2.055 -9.979 -4.972 1.00 2.01 C ATOM 192 O ALA A 13 -3.129 -10.171 -4.402 1.00 21.54 O ATOM 193 CB ALA A 13 -1.426 -12.425 -4.732 1.00 15.43 C ATOM 0 H ALA A 13 -0.078 -11.494 -2.971 1.00 33.14 H new ATOM 0 HA ALA A 13 -0.267 -10.865 -5.685 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -2.029 -12.638 -5.615 1.00 15.43 H new ATOM 0 HB2 ALA A 13 -0.585 -13.117 -4.692 1.00 15.43 H new ATOM 0 HB3 ALA A 13 -2.038 -12.545 -3.838 1.00 15.43 H new ATOM 199 N PHE A 14 -1.841 -8.925 -5.757 1.00 2.44 N ATOM 200 CA PHE A 14 -2.811 -7.892 -6.101 1.00 51.31 C ATOM 201 C PHE A 14 -3.056 -7.951 -7.615 1.00 60.12 C ATOM 202 O PHE A 14 -2.118 -8.177 -8.388 1.00 62.30 O ATOM 203 CB PHE A 14 -2.271 -6.506 -5.687 1.00 71.52 C ATOM 204 CG PHE A 14 -2.459 -6.076 -4.232 1.00 54.14 C ATOM 205 CD1 PHE A 14 -2.197 -6.940 -3.148 1.00 14.33 C ATOM 206 CD2 PHE A 14 -2.892 -4.767 -3.952 1.00 52.42 C ATOM 207 CE1 PHE A 14 -2.316 -6.503 -1.818 1.00 20.34 C ATOM 208 CE2 PHE A 14 -3.053 -4.341 -2.622 1.00 40.21 C ATOM 209 CZ PHE A 14 -2.735 -5.192 -1.555 1.00 22.12 C ATOM 0 H PHE A 14 -0.934 -8.761 -6.194 1.00 2.44 H new ATOM 0 HA PHE A 14 -3.749 -8.057 -5.572 1.00 51.31 H new ATOM 0 HB2 PHE A 14 -1.204 -6.482 -5.909 1.00 71.52 H new ATOM 0 HB3 PHE A 14 -2.746 -5.758 -6.322 1.00 71.52 H new ATOM 0 HD1 PHE A 14 -1.899 -7.959 -3.345 1.00 14.33 H new ATOM 0 HD2 PHE A 14 -3.102 -4.086 -4.763 1.00 52.42 H new ATOM 0 HE1 PHE A 14 -2.086 -7.174 -1.003 1.00 20.34 H new ATOM 0 HE2 PHE A 14 -3.426 -3.348 -2.420 1.00 40.21 H new ATOM 0 HZ PHE A 14 -2.812 -4.840 -0.537 1.00 22.12 H new ATOM 219 N THR A 15 -4.294 -7.778 -8.061 1.00 1.14 N ATOM 220 CA THR A 15 -4.637 -7.588 -9.471 1.00 0.21 C ATOM 221 C THR A 15 -4.509 -6.122 -9.887 1.00 74.31 C ATOM 222 O THR A 15 -4.188 -5.254 -9.074 1.00 72.22 O ATOM 223 CB THR A 15 -6.012 -8.179 -9.830 1.00 0.21 C ATOM 224 OG1 THR A 15 -7.068 -7.704 -9.033 1.00 22.34 O ATOM 225 CG2 THR A 15 -5.944 -9.701 -9.698 1.00 60.33 C ATOM 0 H THR A 15 -5.106 -7.765 -7.443 1.00 1.14 H new ATOM 0 HA THR A 15 -3.907 -8.152 -10.052 1.00 0.21 H new ATOM 0 HB THR A 15 -6.227 -7.864 -10.851 1.00 0.21 H new ATOM 0 HG1 THR A 15 -7.907 -8.121 -9.320 1.00 22.34 H new ATOM 0 HG21 THR A 15 -6.913 -10.132 -9.950 1.00 60.33 H new ATOM 0 HG22 THR A 15 -5.186 -10.092 -10.377 1.00 60.33 H new ATOM 0 HG23 THR A 15 -5.685 -9.966 -8.673 1.00 60.33 H new ATOM 233 N SER A 16 -4.720 -5.847 -11.176 1.00 14.32 N ATOM 234 CA SER A 16 -4.537 -4.523 -11.737 1.00 11.13 C ATOM 235 C SER A 16 -5.514 -3.490 -11.177 1.00 22.33 C ATOM 236 O SER A 16 -5.134 -2.335 -10.992 1.00 40.02 O ATOM 237 CB SER A 16 -4.628 -4.624 -13.252 1.00 42.22 C ATOM 238 OG SER A 16 -5.874 -5.118 -13.712 1.00 0.05 O ATOM 0 H SER A 16 -5.023 -6.544 -11.856 1.00 14.32 H new ATOM 0 HA SER A 16 -3.551 -4.160 -11.447 1.00 11.13 H new ATOM 0 HB2 SER A 16 -4.455 -3.639 -13.685 1.00 42.22 H new ATOM 0 HB3 SER A 16 -3.832 -5.275 -13.613 1.00 42.22 H new ATOM 0 HG SER A 16 -5.869 -5.157 -14.691 1.00 0.05 H new ATOM 244 N GLU A 17 -6.736 -3.911 -10.861 1.00 34.14 N ATOM 245 CA GLU A 17 -7.733 -3.138 -10.166 1.00 13.01 C ATOM 246 C GLU A 17 -7.191 -2.725 -8.800 1.00 54.33 C ATOM 247 O GLU A 17 -7.249 -1.564 -8.414 1.00 14.32 O ATOM 248 CB GLU A 17 -8.932 -4.072 -10.018 1.00 54.00 C ATOM 249 CG GLU A 17 -10.136 -3.360 -9.423 1.00 35.33 C ATOM 250 CD GLU A 17 -11.147 -4.360 -8.863 1.00 15.33 C ATOM 251 OE1 GLU A 17 -11.353 -5.432 -9.476 1.00 24.34 O ATOM 252 OE2 GLU A 17 -11.788 -4.077 -7.823 1.00 12.44 O ATOM 0 H GLU A 17 -7.063 -4.847 -11.099 1.00 34.14 H new ATOM 0 HA GLU A 17 -8.006 -2.225 -10.696 1.00 13.01 H new ATOM 0 HB2 GLU A 17 -9.197 -4.480 -10.994 1.00 54.00 H new ATOM 0 HB3 GLU A 17 -8.659 -4.915 -9.384 1.00 54.00 H new ATOM 0 HG2 GLU A 17 -9.809 -2.687 -8.631 1.00 35.33 H new ATOM 0 HG3 GLU A 17 -10.613 -2.746 -10.187 1.00 35.33 H new ATOM 259 N GLN A 18 -6.638 -3.690 -8.074 1.00 3.04 N ATOM 260 CA GLN A 18 -6.154 -3.487 -6.726 1.00 15.14 C ATOM 261 C GLN A 18 -4.898 -2.615 -6.740 1.00 55.11 C ATOM 262 O GLN A 18 -4.597 -1.983 -5.736 1.00 24.32 O ATOM 263 CB GLN A 18 -5.935 -4.846 -6.033 1.00 24.13 C ATOM 264 CG GLN A 18 -7.100 -5.829 -6.261 1.00 53.20 C ATOM 265 CD GLN A 18 -6.914 -7.154 -5.524 1.00 23.44 C ATOM 266 OE1 GLN A 18 -6.054 -7.949 -5.877 1.00 0.21 O ATOM 267 NE2 GLN A 18 -7.694 -7.458 -4.506 1.00 60.31 N ATOM 0 H GLN A 18 -6.515 -4.644 -8.414 1.00 3.04 H new ATOM 0 HA GLN A 18 -6.901 -2.950 -6.142 1.00 15.14 H new ATOM 0 HB2 GLN A 18 -5.012 -5.292 -6.403 1.00 24.13 H new ATOM 0 HB3 GLN A 18 -5.805 -4.686 -4.963 1.00 24.13 H new ATOM 0 HG2 GLN A 18 -8.030 -5.364 -5.933 1.00 53.20 H new ATOM 0 HG3 GLN A 18 -7.200 -6.024 -7.329 1.00 53.20 H new ATOM 0 HE21 GLN A 18 -8.415 -6.803 -4.202 1.00 60.31 H new ATOM 0 HE22 GLN A 18 -7.577 -8.348 -4.022 1.00 60.31 H new ATOM 276 N LEU A 19 -4.186 -2.531 -7.869 1.00 34.35 N ATOM 277 CA LEU A 19 -3.082 -1.600 -8.029 1.00 2.32 C ATOM 278 C LEU A 19 -3.566 -0.195 -8.390 1.00 40.30 C ATOM 279 O LEU A 19 -2.795 0.742 -8.216 1.00 43.00 O ATOM 280 CB LEU A 19 -2.140 -2.123 -9.123 1.00 34.54 C ATOM 281 CG LEU A 19 -1.306 -3.337 -8.679 1.00 62.22 C ATOM 282 CD1 LEU A 19 -0.629 -3.947 -9.905 1.00 61.20 C ATOM 283 CD2 LEU A 19 -0.221 -2.957 -7.671 1.00 24.54 C ATOM 0 H LEU A 19 -4.364 -3.108 -8.691 1.00 34.35 H new ATOM 0 HA LEU A 19 -2.556 -1.529 -7.077 1.00 2.32 H new ATOM 0 HB2 LEU A 19 -2.728 -2.396 -9.999 1.00 34.54 H new ATOM 0 HB3 LEU A 19 -1.468 -1.321 -9.428 1.00 34.54 H new ATOM 0 HG LEU A 19 -1.983 -4.045 -8.200 1.00 62.22 H new ATOM 0 HD11 LEU A 19 -0.035 -4.809 -9.601 1.00 61.20 H new ATOM 0 HD12 LEU A 19 -1.388 -4.263 -10.620 1.00 61.20 H new ATOM 0 HD13 LEU A 19 0.020 -3.204 -10.369 1.00 61.20 H new ATOM 0 HD21 LEU A 19 0.341 -3.847 -7.388 1.00 24.54 H new ATOM 0 HD22 LEU A 19 0.455 -2.229 -8.121 1.00 24.54 H new ATOM 0 HD23 LEU A 19 -0.684 -2.523 -6.785 1.00 24.54 H new ATOM 295 N LEU A 20 -4.792 -0.019 -8.895 1.00 2.03 N ATOM 296 CA LEU A 20 -5.221 1.250 -9.479 1.00 73.50 C ATOM 297 C LEU A 20 -5.298 2.310 -8.390 1.00 13.33 C ATOM 298 O LEU A 20 -4.635 3.347 -8.436 1.00 21.13 O ATOM 299 CB LEU A 20 -6.594 1.090 -10.181 1.00 51.03 C ATOM 300 CG LEU A 20 -6.647 1.647 -11.607 1.00 62.30 C ATOM 301 CD1 LEU A 20 -6.142 3.087 -11.713 1.00 40.22 C ATOM 302 CD2 LEU A 20 -5.864 0.707 -12.529 1.00 62.12 C ATOM 0 H LEU A 20 -5.507 -0.747 -8.909 1.00 2.03 H new ATOM 0 HA LEU A 20 -4.494 1.561 -10.229 1.00 73.50 H new ATOM 0 HB2 LEU A 20 -6.853 0.032 -10.208 1.00 51.03 H new ATOM 0 HB3 LEU A 20 -7.355 1.589 -9.581 1.00 51.03 H new ATOM 0 HG LEU A 20 -7.691 1.690 -11.917 1.00 62.30 H new ATOM 0 HD11 LEU A 20 -6.207 3.420 -12.749 1.00 40.22 H new ATOM 0 HD12 LEU A 20 -6.754 3.734 -11.085 1.00 40.22 H new ATOM 0 HD13 LEU A 20 -5.105 3.134 -11.381 1.00 40.22 H new ATOM 0 HD21 LEU A 20 -5.893 1.091 -13.549 1.00 62.12 H new ATOM 0 HD22 LEU A 20 -4.829 0.647 -12.193 1.00 62.12 H new ATOM 0 HD23 LEU A 20 -6.313 -0.286 -12.502 1.00 62.12 H new ATOM 314 N GLU A 21 -6.123 2.010 -7.392 1.00 62.13 N ATOM 315 CA GLU A 21 -6.465 2.881 -6.283 1.00 21.35 C ATOM 316 C GLU A 21 -5.191 3.204 -5.493 1.00 11.11 C ATOM 317 O GLU A 21 -4.942 4.353 -5.130 1.00 64.22 O ATOM 318 CB GLU A 21 -7.524 2.159 -5.427 1.00 42.21 C ATOM 319 CG GLU A 21 -8.746 1.672 -6.232 1.00 61.30 C ATOM 320 CD GLU A 21 -9.501 2.801 -6.944 1.00 52.12 C ATOM 321 OE1 GLU A 21 -10.009 3.725 -6.263 1.00 74.14 O ATOM 322 OE2 GLU A 21 -9.621 2.763 -8.185 1.00 73.21 O ATOM 0 H GLU A 21 -6.593 1.106 -7.336 1.00 62.13 H new ATOM 0 HA GLU A 21 -6.884 3.829 -6.621 1.00 21.35 H new ATOM 0 HB2 GLU A 21 -7.060 1.304 -4.936 1.00 42.21 H new ATOM 0 HB3 GLU A 21 -7.863 2.833 -4.640 1.00 42.21 H new ATOM 0 HG2 GLU A 21 -8.416 0.943 -6.972 1.00 61.30 H new ATOM 0 HG3 GLU A 21 -9.431 1.155 -5.560 1.00 61.30 H new ATOM 329 N LEU A 22 -4.346 2.188 -5.297 1.00 61.23 N ATOM 330 CA LEU A 22 -3.069 2.284 -4.602 1.00 0.41 C ATOM 331 C LEU A 22 -2.118 3.238 -5.310 1.00 12.03 C ATOM 332 O LEU A 22 -1.452 4.040 -4.651 1.00 13.34 O ATOM 333 CB LEU A 22 -2.410 0.895 -4.522 1.00 40.21 C ATOM 334 CG LEU A 22 -2.700 0.137 -3.219 1.00 33.22 C ATOM 335 CD1 LEU A 22 -4.188 0.039 -2.878 1.00 24.25 C ATOM 336 CD2 LEU A 22 -2.125 -1.267 -3.353 1.00 22.13 C ATOM 0 H LEU A 22 -4.544 1.245 -5.631 1.00 61.23 H new ATOM 0 HA LEU A 22 -3.267 2.668 -3.601 1.00 0.41 H new ATOM 0 HB2 LEU A 22 -2.753 0.293 -5.364 1.00 40.21 H new ATOM 0 HB3 LEU A 22 -1.332 1.010 -4.631 1.00 40.21 H new ATOM 0 HG LEU A 22 -2.237 0.697 -2.406 1.00 33.22 H new ATOM 0 HD11 LEU A 22 -4.312 -0.510 -1.945 1.00 24.25 H new ATOM 0 HD12 LEU A 22 -4.603 1.041 -2.768 1.00 24.25 H new ATOM 0 HD13 LEU A 22 -4.711 -0.484 -3.679 1.00 24.25 H new ATOM 0 HD21 LEU A 22 -2.318 -1.828 -2.439 1.00 22.13 H new ATOM 0 HD22 LEU A 22 -2.595 -1.774 -4.196 1.00 22.13 H new ATOM 0 HD23 LEU A 22 -1.050 -1.205 -3.521 1.00 22.13 H new ATOM 348 N ARG A 23 -1.984 3.119 -6.631 1.00 24.15 N ATOM 349 CA ARG A 23 -0.965 3.837 -7.372 1.00 42.01 C ATOM 350 C ARG A 23 -1.426 5.266 -7.558 1.00 51.13 C ATOM 351 O ARG A 23 -0.574 6.149 -7.644 1.00 4.02 O ATOM 352 CB ARG A 23 -0.702 3.136 -8.713 1.00 62.11 C ATOM 353 CG ARG A 23 0.126 1.861 -8.494 1.00 72.51 C ATOM 354 CD ARG A 23 0.365 1.087 -9.794 1.00 20.32 C ATOM 355 NE ARG A 23 1.181 1.829 -10.775 1.00 11.24 N ATOM 356 CZ ARG A 23 2.497 2.080 -10.713 1.00 62.54 C ATOM 357 NH1 ARG A 23 3.211 1.786 -9.630 1.00 52.05 N ATOM 358 NH2 ARG A 23 3.092 2.625 -11.761 1.00 74.14 N ATOM 0 H ARG A 23 -2.578 2.524 -7.208 1.00 24.15 H new ATOM 0 HA ARG A 23 -0.022 3.845 -6.825 1.00 42.01 H new ATOM 0 HB2 ARG A 23 -1.648 2.885 -9.192 1.00 62.11 H new ATOM 0 HB3 ARG A 23 -0.173 3.810 -9.386 1.00 62.11 H new ATOM 0 HG2 ARG A 23 1.086 2.127 -8.051 1.00 72.51 H new ATOM 0 HG3 ARG A 23 -0.387 1.217 -7.780 1.00 72.51 H new ATOM 0 HD2 ARG A 23 0.859 0.143 -9.561 1.00 20.32 H new ATOM 0 HD3 ARG A 23 -0.597 0.841 -10.244 1.00 20.32 H new ATOM 0 HE ARG A 23 0.689 2.191 -11.592 1.00 11.24 H new ATOM 0 HH11 ARG A 23 2.759 1.359 -8.821 1.00 52.05 H new ATOM 0 HH12 ARG A 23 4.211 1.987 -9.608 1.00 52.05 H new ATOM 0 HH21 ARG A 23 2.551 2.847 -12.597 1.00 74.14 H new ATOM 0 HH22 ARG A 23 4.092 2.824 -11.734 1.00 74.14 H new ATOM 372 N LYS A 24 -2.740 5.515 -7.572 1.00 35.32 N ATOM 373 CA LYS A 24 -3.246 6.866 -7.464 1.00 61.24 C ATOM 374 C LYS A 24 -2.845 7.460 -6.123 1.00 23.14 C ATOM 375 O LYS A 24 -2.181 8.493 -6.066 1.00 24.40 O ATOM 376 CB LYS A 24 -4.768 6.930 -7.635 1.00 35.14 C ATOM 377 CG LYS A 24 -5.193 6.910 -9.109 1.00 20.51 C ATOM 378 CD LYS A 24 -6.683 7.226 -9.271 1.00 31.21 C ATOM 379 CE LYS A 24 -7.043 8.652 -8.826 1.00 63.25 C ATOM 380 NZ LYS A 24 -8.499 8.850 -8.749 1.00 34.51 N ATOM 0 H LYS A 24 -3.459 4.797 -7.657 1.00 35.32 H new ATOM 0 HA LYS A 24 -2.805 7.449 -8.273 1.00 61.24 H new ATOM 0 HB2 LYS A 24 -5.225 6.087 -7.117 1.00 35.14 H new ATOM 0 HB3 LYS A 24 -5.146 7.837 -7.163 1.00 35.14 H new ATOM 0 HG2 LYS A 24 -4.604 7.637 -9.668 1.00 20.51 H new ATOM 0 HG3 LYS A 24 -4.980 5.930 -9.536 1.00 20.51 H new ATOM 0 HD2 LYS A 24 -6.966 7.094 -10.315 1.00 31.21 H new ATOM 0 HD3 LYS A 24 -7.266 6.511 -8.690 1.00 31.21 H new ATOM 0 HE2 LYS A 24 -6.597 8.852 -7.852 1.00 63.25 H new ATOM 0 HE3 LYS A 24 -6.615 9.370 -9.526 1.00 63.25 H new ATOM 0 HZ1 LYS A 24 -8.701 9.824 -8.446 1.00 34.51 H new ATOM 0 HZ2 LYS A 24 -8.922 8.684 -9.685 1.00 34.51 H new ATOM 0 HZ3 LYS A 24 -8.904 8.182 -8.062 1.00 34.51 H new ATOM 394 N GLU A 25 -3.270 6.830 -5.031 1.00 73.33 N ATOM 395 CA GLU A 25 -3.197 7.403 -3.692 1.00 33.30 C ATOM 396 C GLU A 25 -1.765 7.602 -3.198 1.00 10.10 C ATOM 397 O GLU A 25 -1.549 8.370 -2.258 1.00 5.11 O ATOM 398 CB GLU A 25 -3.986 6.507 -2.737 1.00 1.32 C ATOM 399 CG GLU A 25 -5.490 6.786 -2.865 1.00 51.23 C ATOM 400 CD GLU A 25 -5.923 7.896 -1.904 1.00 63.12 C ATOM 401 OE1 GLU A 25 -6.285 7.532 -0.760 1.00 43.45 O ATOM 402 OE2 GLU A 25 -5.850 9.096 -2.250 1.00 21.52 O ATOM 0 H GLU A 25 -3.680 5.896 -5.052 1.00 73.33 H new ATOM 0 HA GLU A 25 -3.633 8.401 -3.727 1.00 33.30 H new ATOM 0 HB2 GLU A 25 -3.783 5.459 -2.959 1.00 1.32 H new ATOM 0 HB3 GLU A 25 -3.662 6.683 -1.711 1.00 1.32 H new ATOM 0 HG2 GLU A 25 -5.725 7.075 -3.890 1.00 51.23 H new ATOM 0 HG3 GLU A 25 -6.052 5.876 -2.653 1.00 51.23 H new ATOM 409 N PHE A 26 -0.779 6.966 -3.835 1.00 73.14 N ATOM 410 CA PHE A 26 0.625 7.206 -3.537 1.00 21.11 C ATOM 411 C PHE A 26 1.044 8.623 -3.948 1.00 52.03 C ATOM 412 O PHE A 26 2.008 9.163 -3.397 1.00 14.41 O ATOM 413 CB PHE A 26 1.482 6.135 -4.221 1.00 43.14 C ATOM 414 CG PHE A 26 2.911 6.091 -3.714 1.00 34.42 C ATOM 415 CD1 PHE A 26 3.220 5.335 -2.566 1.00 61.32 C ATOM 416 CD2 PHE A 26 3.927 6.814 -4.367 1.00 32.22 C ATOM 417 CE1 PHE A 26 4.536 5.280 -2.079 1.00 33.34 C ATOM 418 CE2 PHE A 26 5.240 6.777 -3.865 1.00 15.11 C ATOM 419 CZ PHE A 26 5.546 6.005 -2.730 1.00 22.44 C ATOM 0 H PHE A 26 -0.936 6.274 -4.568 1.00 73.14 H new ATOM 0 HA PHE A 26 0.780 7.135 -2.460 1.00 21.11 H new ATOM 0 HB2 PHE A 26 1.020 5.159 -4.069 1.00 43.14 H new ATOM 0 HB3 PHE A 26 1.491 6.319 -5.295 1.00 43.14 H new ATOM 0 HD1 PHE A 26 2.438 4.793 -2.056 1.00 61.32 H new ATOM 0 HD2 PHE A 26 3.699 7.394 -5.249 1.00 32.22 H new ATOM 0 HE1 PHE A 26 4.769 4.684 -1.209 1.00 33.34 H new ATOM 0 HE2 PHE A 26 6.018 7.345 -4.354 1.00 15.11 H new ATOM 0 HZ PHE A 26 6.560 5.970 -2.359 1.00 22.44 H new ATOM 429 N HIS A 27 0.327 9.235 -4.894 1.00 14.12 N ATOM 430 CA HIS A 27 0.483 10.623 -5.289 1.00 12.44 C ATOM 431 C HIS A 27 -0.576 11.500 -4.617 1.00 41.24 C ATOM 432 O HIS A 27 -0.235 12.590 -4.156 1.00 34.22 O ATOM 433 CB HIS A 27 0.378 10.744 -6.812 1.00 1.13 C ATOM 434 CG HIS A 27 1.389 9.938 -7.591 1.00 4.01 C ATOM 435 ND1 HIS A 27 1.128 9.244 -8.749 1.00 54.31 N ATOM 436 CD2 HIS A 27 2.722 9.782 -7.309 1.00 4.33 C ATOM 437 CE1 HIS A 27 2.279 8.694 -9.163 1.00 52.31 C ATOM 438 NE2 HIS A 27 3.274 8.967 -8.304 1.00 35.40 N ATOM 0 H HIS A 27 -0.402 8.754 -5.420 1.00 14.12 H new ATOM 0 HA HIS A 27 1.466 10.968 -4.968 1.00 12.44 H new ATOM 0 HB2 HIS A 27 -0.622 10.436 -7.117 1.00 1.13 H new ATOM 0 HB3 HIS A 27 0.485 11.794 -7.086 1.00 1.13 H new ATOM 0 HD2 HIS A 27 3.251 10.211 -6.470 1.00 4.33 H new ATOM 0 HE1 HIS A 27 2.390 8.111 -10.065 1.00 52.31 H new ATOM 0 HE2 HIS A 27 4.240 8.645 -8.364 1.00 35.40 H new ATOM 446 N CYS A 28 -1.841 11.064 -4.564 1.00 12.11 N ATOM 447 CA CYS A 28 -2.929 11.897 -4.049 1.00 4.10 C ATOM 448 C CYS A 28 -2.865 12.109 -2.531 1.00 70.32 C ATOM 449 O CYS A 28 -3.407 13.100 -2.041 1.00 42.43 O ATOM 450 CB CYS A 28 -4.300 11.298 -4.389 1.00 31.24 C ATOM 451 SG CYS A 28 -4.462 10.878 -6.145 1.00 3.42 S ATOM 0 H CYS A 28 -2.134 10.137 -4.873 1.00 12.11 H new ATOM 0 HA CYS A 28 -2.801 12.863 -4.538 1.00 4.10 H new ATOM 0 HB2 CYS A 28 -4.460 10.402 -3.789 1.00 31.24 H new ATOM 0 HB3 CYS A 28 -5.080 12.008 -4.116 1.00 31.24 H new ATOM 0 HG CYS A 28 -3.596 9.958 -6.453 1.00 3.42 H new ATOM 457 N LYS A 29 -2.263 11.195 -1.769 1.00 62.35 N ATOM 458 CA LYS A 29 -2.265 11.177 -0.304 1.00 25.10 C ATOM 459 C LYS A 29 -0.857 10.792 0.151 1.00 30.52 C ATOM 460 O LYS A 29 0.057 10.680 -0.676 1.00 34.21 O ATOM 461 CB LYS A 29 -3.391 10.219 0.154 1.00 25.50 C ATOM 462 CG LYS A 29 -4.014 10.498 1.537 1.00 73.11 C ATOM 463 CD LYS A 29 -5.250 9.597 1.767 1.00 13.41 C ATOM 464 CE LYS A 29 -6.488 10.374 2.235 1.00 13.14 C ATOM 465 NZ LYS A 29 -7.746 9.600 2.113 1.00 52.44 N ATOM 0 H LYS A 29 -1.740 10.416 -2.170 1.00 62.35 H new ATOM 0 HA LYS A 29 -2.484 12.142 0.153 1.00 25.10 H new ATOM 0 HB2 LYS A 29 -4.187 10.248 -0.590 1.00 25.50 H new ATOM 0 HB3 LYS A 29 -2.994 9.204 0.157 1.00 25.50 H new ATOM 0 HG2 LYS A 29 -3.275 10.318 2.318 1.00 73.11 H new ATOM 0 HG3 LYS A 29 -4.303 11.547 1.607 1.00 73.11 H new ATOM 0 HD2 LYS A 29 -5.487 9.073 0.841 1.00 13.41 H new ATOM 0 HD3 LYS A 29 -5.004 8.837 2.509 1.00 13.41 H new ATOM 0 HE2 LYS A 29 -6.351 10.670 3.275 1.00 13.14 H new ATOM 0 HE3 LYS A 29 -6.575 11.291 1.652 1.00 13.14 H new ATOM 0 HZ1 LYS A 29 -8.438 10.147 1.561 1.00 52.44 H new ATOM 0 HZ2 LYS A 29 -7.554 8.699 1.631 1.00 52.44 H new ATOM 0 HZ3 LYS A 29 -8.131 9.411 3.061 1.00 52.44 H new ATOM 479 N LYS A 30 -0.646 10.652 1.462 1.00 44.25 N ATOM 480 CA LYS A 30 0.657 10.300 2.026 1.00 4.21 C ATOM 481 C LYS A 30 0.601 9.072 2.929 1.00 10.42 C ATOM 482 O LYS A 30 1.562 8.300 2.958 1.00 5.20 O ATOM 483 CB LYS A 30 1.293 11.522 2.712 1.00 65.22 C ATOM 484 CG LYS A 30 0.506 12.116 3.899 1.00 2.34 C ATOM 485 CD LYS A 30 -0.005 13.552 3.702 1.00 41.44 C ATOM 486 CE LYS A 30 -0.230 14.281 5.039 1.00 1.30 C ATOM 487 NZ LYS A 30 -1.372 13.777 5.836 1.00 10.04 N ATOM 0 H LYS A 30 -1.376 10.780 2.163 1.00 44.25 H new ATOM 0 HA LYS A 30 1.307 10.010 1.201 1.00 4.21 H new ATOM 0 HB2 LYS A 30 2.286 11.241 3.064 1.00 65.22 H new ATOM 0 HB3 LYS A 30 1.429 12.304 1.965 1.00 65.22 H new ATOM 0 HG2 LYS A 30 -0.348 11.470 4.106 1.00 2.34 H new ATOM 0 HG3 LYS A 30 1.144 12.094 4.783 1.00 2.34 H new ATOM 0 HD2 LYS A 30 0.713 14.111 3.102 1.00 41.44 H new ATOM 0 HD3 LYS A 30 -0.940 13.529 3.142 1.00 41.44 H new ATOM 0 HE2 LYS A 30 0.677 14.200 5.638 1.00 1.30 H new ATOM 0 HE3 LYS A 30 -0.385 15.341 4.837 1.00 1.30 H new ATOM 0 HZ1 LYS A 30 -1.875 14.579 6.267 1.00 10.04 H new ATOM 0 HZ2 LYS A 30 -2.022 13.252 5.217 1.00 10.04 H new ATOM 0 HZ3 LYS A 30 -1.021 13.146 6.585 1.00 10.04 H new ATOM 501 N TYR A 31 -0.478 8.871 3.685 1.00 45.23 N ATOM 502 CA TYR A 31 -0.699 7.687 4.501 1.00 51.41 C ATOM 503 C TYR A 31 -2.181 7.594 4.823 1.00 14.14 C ATOM 504 O TYR A 31 -2.921 8.577 4.696 1.00 64.11 O ATOM 505 CB TYR A 31 0.113 7.722 5.807 1.00 41.22 C ATOM 506 CG TYR A 31 0.006 9.004 6.612 1.00 61.25 C ATOM 507 CD1 TYR A 31 -1.066 9.205 7.504 1.00 73.22 C ATOM 508 CD2 TYR A 31 0.987 10.001 6.462 1.00 45.34 C ATOM 509 CE1 TYR A 31 -1.168 10.406 8.228 1.00 44.25 C ATOM 510 CE2 TYR A 31 0.891 11.202 7.182 1.00 45.15 C ATOM 511 CZ TYR A 31 -0.186 11.407 8.066 1.00 22.01 C ATOM 512 OH TYR A 31 -0.298 12.597 8.708 1.00 62.13 O ATOM 0 H TYR A 31 -1.239 9.547 3.745 1.00 45.23 H new ATOM 0 HA TYR A 31 -0.366 6.815 3.938 1.00 51.41 H new ATOM 0 HB2 TYR A 31 -0.208 6.892 6.436 1.00 41.22 H new ATOM 0 HB3 TYR A 31 1.162 7.552 5.566 1.00 41.22 H new ATOM 0 HD1 TYR A 31 -1.812 8.434 7.632 1.00 73.22 H new ATOM 0 HD2 TYR A 31 1.817 9.842 5.790 1.00 45.34 H new ATOM 0 HE1 TYR A 31 -1.995 10.562 8.905 1.00 44.25 H new ATOM 0 HE2 TYR A 31 1.642 11.968 7.058 1.00 45.15 H new ATOM 0 HH TYR A 31 0.468 13.165 8.481 1.00 62.13 H new ATOM 522 N LEU A 32 -2.604 6.415 5.278 1.00 41.01 N ATOM 523 CA LEU A 32 -3.996 6.115 5.589 1.00 52.23 C ATOM 524 C LEU A 32 -4.199 6.149 7.103 1.00 25.43 C ATOM 525 O LEU A 32 -3.333 5.682 7.843 1.00 3.11 O ATOM 526 CB LEU A 32 -4.355 4.737 4.992 1.00 44.22 C ATOM 527 CG LEU A 32 -4.114 4.592 3.476 1.00 30.23 C ATOM 528 CD1 LEU A 32 -4.849 3.357 2.941 1.00 31.41 C ATOM 529 CD2 LEU A 32 -4.522 5.803 2.636 1.00 63.13 C ATOM 0 H LEU A 32 -1.975 5.629 5.443 1.00 41.01 H new ATOM 0 HA LEU A 32 -4.658 6.861 5.150 1.00 52.23 H new ATOM 0 HB2 LEU A 32 -3.775 3.973 5.510 1.00 44.22 H new ATOM 0 HB3 LEU A 32 -5.406 4.533 5.197 1.00 44.22 H new ATOM 0 HG LEU A 32 -3.033 4.495 3.374 1.00 30.23 H new ATOM 0 HD11 LEU A 32 -4.672 3.264 1.869 1.00 31.41 H new ATOM 0 HD12 LEU A 32 -4.480 2.466 3.448 1.00 31.41 H new ATOM 0 HD13 LEU A 32 -5.918 3.462 3.124 1.00 31.41 H new ATOM 0 HD21 LEU A 32 -4.313 5.604 1.585 1.00 63.13 H new ATOM 0 HD22 LEU A 32 -5.588 5.993 2.765 1.00 63.13 H new ATOM 0 HD23 LEU A 32 -3.956 6.677 2.959 1.00 63.13 H new ATOM 541 N SER A 33 -5.337 6.665 7.573 1.00 11.40 N ATOM 542 CA SER A 33 -5.840 6.399 8.920 1.00 65.44 C ATOM 543 C SER A 33 -6.360 4.954 9.017 1.00 11.33 C ATOM 544 O SER A 33 -6.304 4.192 8.049 1.00 21.04 O ATOM 545 CB SER A 33 -6.987 7.350 9.283 1.00 45.41 C ATOM 546 OG SER A 33 -6.845 8.669 8.787 1.00 42.23 O ATOM 0 H SER A 33 -5.937 7.282 7.026 1.00 11.40 H new ATOM 0 HA SER A 33 -5.013 6.552 9.613 1.00 65.44 H new ATOM 0 HB2 SER A 33 -7.920 6.933 8.904 1.00 45.41 H new ATOM 0 HB3 SER A 33 -7.075 7.393 10.369 1.00 45.41 H new ATOM 0 HG SER A 33 -7.617 9.207 9.061 1.00 42.23 H new ATOM 552 N LEU A 34 -6.914 4.584 10.176 1.00 14.12 N ATOM 553 CA LEU A 34 -7.641 3.337 10.402 1.00 62.03 C ATOM 554 C LEU A 34 -8.749 3.231 9.350 1.00 1.13 C ATOM 555 O LEU A 34 -8.736 2.349 8.497 1.00 25.34 O ATOM 556 CB LEU A 34 -8.251 3.334 11.823 1.00 14.31 C ATOM 557 CG LEU A 34 -7.306 3.164 13.030 1.00 53.52 C ATOM 558 CD1 LEU A 34 -6.620 1.800 13.016 1.00 61.14 C ATOM 559 CD2 LEU A 34 -6.249 4.269 13.167 1.00 11.35 C ATOM 0 H LEU A 34 -6.865 5.168 11.011 1.00 14.12 H new ATOM 0 HA LEU A 34 -6.966 2.485 10.318 1.00 62.03 H new ATOM 0 HB2 LEU A 34 -8.790 4.272 11.954 1.00 14.31 H new ATOM 0 HB3 LEU A 34 -8.989 2.533 11.865 1.00 14.31 H new ATOM 0 HG LEU A 34 -7.957 3.243 13.901 1.00 53.52 H new ATOM 0 HD11 LEU A 34 -5.962 1.715 13.881 1.00 61.14 H new ATOM 0 HD12 LEU A 34 -7.374 1.013 13.055 1.00 61.14 H new ATOM 0 HD13 LEU A 34 -6.034 1.697 12.103 1.00 61.14 H new ATOM 0 HD21 LEU A 34 -5.628 4.072 14.041 1.00 11.35 H new ATOM 0 HD22 LEU A 34 -5.624 4.288 12.274 1.00 11.35 H new ATOM 0 HD23 LEU A 34 -6.744 5.233 13.284 1.00 11.35 H new ATOM 571 N THR A 35 -9.661 4.196 9.375 1.00 50.43 N ATOM 572 CA THR A 35 -10.858 4.272 8.556 1.00 34.45 C ATOM 573 C THR A 35 -10.512 4.298 7.063 1.00 70.33 C ATOM 574 O THR A 35 -11.178 3.654 6.257 1.00 61.31 O ATOM 575 CB THR A 35 -11.615 5.540 8.993 1.00 2.42 C ATOM 576 OG1 THR A 35 -11.467 5.750 10.397 1.00 12.45 O ATOM 577 CG2 THR A 35 -13.093 5.470 8.611 1.00 5.31 C ATOM 0 H THR A 35 -9.576 4.992 10.007 1.00 50.43 H new ATOM 0 HA THR A 35 -11.483 3.390 8.697 1.00 34.45 H new ATOM 0 HB THR A 35 -11.178 6.388 8.465 1.00 2.42 H new ATOM 0 HG1 THR A 35 -11.952 6.560 10.660 1.00 12.45 H new ATOM 0 HG21 THR A 35 -13.596 6.381 8.935 1.00 5.31 H new ATOM 0 HG22 THR A 35 -13.185 5.369 7.530 1.00 5.31 H new ATOM 0 HG23 THR A 35 -13.554 4.609 9.096 1.00 5.31 H new ATOM 585 N GLU A 36 -9.438 4.995 6.689 1.00 12.34 N ATOM 586 CA GLU A 36 -8.987 5.084 5.312 1.00 70.12 C ATOM 587 C GLU A 36 -8.554 3.698 4.810 1.00 63.04 C ATOM 588 O GLU A 36 -8.979 3.281 3.737 1.00 12.53 O ATOM 589 CB GLU A 36 -7.824 6.072 5.216 1.00 31.41 C ATOM 590 CG GLU A 36 -8.025 7.469 5.818 1.00 33.01 C ATOM 591 CD GLU A 36 -9.178 8.300 5.268 1.00 73.05 C ATOM 592 OE1 GLU A 36 -9.245 8.464 4.044 1.00 11.14 O ATOM 593 OE2 GLU A 36 -9.926 8.884 6.099 1.00 34.23 O ATOM 0 H GLU A 36 -8.856 5.516 7.345 1.00 12.34 H new ATOM 0 HA GLU A 36 -9.806 5.439 4.686 1.00 70.12 H new ATOM 0 HB2 GLU A 36 -6.958 5.619 5.700 1.00 31.41 H new ATOM 0 HB3 GLU A 36 -7.573 6.194 4.162 1.00 31.41 H new ATOM 0 HG2 GLU A 36 -8.170 7.357 6.892 1.00 33.01 H new ATOM 0 HG3 GLU A 36 -7.103 8.034 5.678 1.00 33.01 H new ATOM 600 N ARG A 37 -7.755 2.952 5.589 1.00 62.12 N ATOM 601 CA ARG A 37 -7.417 1.565 5.247 1.00 21.43 C ATOM 602 C ARG A 37 -8.671 0.707 5.122 1.00 10.22 C ATOM 603 O ARG A 37 -8.646 -0.229 4.330 1.00 3.43 O ATOM 604 CB ARG A 37 -6.491 0.896 6.277 1.00 42.40 C ATOM 605 CG ARG A 37 -5.061 1.428 6.322 1.00 70.22 C ATOM 606 CD ARG A 37 -4.282 0.698 7.426 1.00 24.02 C ATOM 607 NE ARG A 37 -2.993 1.349 7.714 1.00 13.54 N ATOM 608 CZ ARG A 37 -2.834 2.397 8.534 1.00 53.43 C ATOM 609 NH1 ARG A 37 -3.870 3.028 9.065 1.00 23.41 N ATOM 610 NH2 ARG A 37 -1.623 2.840 8.828 1.00 61.42 N ATOM 0 H ARG A 37 -7.334 3.286 6.456 1.00 62.12 H new ATOM 0 HA ARG A 37 -6.893 1.626 4.293 1.00 21.43 H new ATOM 0 HB2 ARG A 37 -6.934 1.012 7.266 1.00 42.40 H new ATOM 0 HB3 ARG A 37 -6.455 -0.173 6.067 1.00 42.40 H new ATOM 0 HG2 ARG A 37 -4.575 1.278 5.358 1.00 70.22 H new ATOM 0 HG3 ARG A 37 -5.066 2.501 6.513 1.00 70.22 H new ATOM 0 HD2 ARG A 37 -4.884 0.667 8.334 1.00 24.02 H new ATOM 0 HD3 ARG A 37 -4.107 -0.335 7.124 1.00 24.02 H new ATOM 0 HE ARG A 37 -2.161 0.975 7.257 1.00 13.54 H new ATOM 0 HH11 ARG A 37 -4.819 2.719 8.853 1.00 23.41 H new ATOM 0 HH12 ARG A 37 -3.719 3.823 9.686 1.00 23.41 H new ATOM 0 HH21 ARG A 37 -0.802 2.383 8.430 1.00 61.42 H new ATOM 0 HH22 ARG A 37 -1.510 3.638 9.453 1.00 61.42 H new ATOM 624 N SER A 38 -9.721 0.984 5.898 1.00 30.42 N ATOM 625 CA SER A 38 -10.980 0.266 5.806 1.00 50.24 C ATOM 626 C SER A 38 -11.535 0.399 4.380 1.00 14.45 C ATOM 627 O SER A 38 -11.799 -0.627 3.742 1.00 52.53 O ATOM 628 CB SER A 38 -11.951 0.790 6.875 1.00 12.33 C ATOM 629 OG SER A 38 -12.723 -0.258 7.421 1.00 2.55 O ATOM 0 H SER A 38 -9.715 1.716 6.608 1.00 30.42 H new ATOM 0 HA SER A 38 -10.834 -0.796 6.001 1.00 50.24 H new ATOM 0 HB2 SER A 38 -11.390 1.284 7.669 1.00 12.33 H new ATOM 0 HB3 SER A 38 -12.609 1.540 6.436 1.00 12.33 H new ATOM 0 HG SER A 38 -13.331 0.103 8.100 1.00 2.55 H new ATOM 635 N GLN A 39 -11.643 1.640 3.876 1.00 34.22 N ATOM 636 CA GLN A 39 -12.128 1.938 2.530 1.00 10.25 C ATOM 637 C GLN A 39 -11.298 1.201 1.486 1.00 4.34 C ATOM 638 O GLN A 39 -11.820 0.411 0.711 1.00 64.50 O ATOM 639 CB GLN A 39 -12.049 3.441 2.212 1.00 51.33 C ATOM 640 CG GLN A 39 -12.888 4.394 3.061 1.00 33.41 C ATOM 641 CD GLN A 39 -12.694 5.820 2.544 1.00 53.30 C ATOM 642 OE1 GLN A 39 -13.600 6.407 1.955 1.00 12.51 O ATOM 643 NE2 GLN A 39 -11.510 6.397 2.702 1.00 52.12 N ATOM 0 H GLN A 39 -11.390 2.474 4.406 1.00 34.22 H new ATOM 0 HA GLN A 39 -13.168 1.614 2.497 1.00 10.25 H new ATOM 0 HB2 GLN A 39 -11.006 3.747 2.297 1.00 51.33 H new ATOM 0 HB3 GLN A 39 -12.338 3.578 1.170 1.00 51.33 H new ATOM 0 HG2 GLN A 39 -13.941 4.115 3.012 1.00 33.41 H new ATOM 0 HG3 GLN A 39 -12.590 4.329 4.107 1.00 33.41 H new ATOM 0 HE21 GLN A 39 -10.764 5.904 3.192 1.00 52.12 H new ATOM 0 HE22 GLN A 39 -11.346 7.334 2.334 1.00 52.12 H new ATOM 652 N ILE A 40 -9.992 1.465 1.459 1.00 33.23 N ATOM 653 CA ILE A 40 -9.103 1.073 0.361 1.00 12.44 C ATOM 654 C ILE A 40 -8.770 -0.422 0.425 1.00 73.44 C ATOM 655 O ILE A 40 -8.118 -0.961 -0.462 1.00 42.42 O ATOM 656 CB ILE A 40 -7.891 2.038 0.381 1.00 43.03 C ATOM 657 CG1 ILE A 40 -8.372 3.509 0.350 1.00 34.41 C ATOM 658 CG2 ILE A 40 -6.858 1.817 -0.744 1.00 22.44 C ATOM 659 CD1 ILE A 40 -9.361 3.812 -0.770 1.00 33.21 C ATOM 0 H ILE A 40 -9.513 1.964 2.209 1.00 33.23 H new ATOM 0 HA ILE A 40 -9.580 1.176 -0.614 1.00 12.44 H new ATOM 0 HB ILE A 40 -7.373 1.813 1.313 1.00 43.03 H new ATOM 0 HG12 ILE A 40 -8.836 3.749 1.306 1.00 34.41 H new ATOM 0 HG13 ILE A 40 -7.506 4.162 0.243 1.00 34.41 H new ATOM 0 HG21 ILE A 40 -6.049 2.541 -0.643 1.00 22.44 H new ATOM 0 HG22 ILE A 40 -6.452 0.808 -0.672 1.00 22.44 H new ATOM 0 HG23 ILE A 40 -7.341 1.946 -1.712 1.00 22.44 H new ATOM 0 HD11 ILE A 40 -9.651 4.862 -0.725 1.00 33.21 H new ATOM 0 HD12 ILE A 40 -8.895 3.605 -1.733 1.00 33.21 H new ATOM 0 HD13 ILE A 40 -10.246 3.186 -0.653 1.00 33.21 H new ATOM 671 N ALA A 41 -9.268 -1.106 1.447 1.00 34.23 N ATOM 672 CA ALA A 41 -9.310 -2.551 1.527 1.00 53.23 C ATOM 673 C ALA A 41 -10.634 -3.030 0.941 1.00 23.12 C ATOM 674 O ALA A 41 -10.625 -3.856 0.030 1.00 24.25 O ATOM 675 CB ALA A 41 -9.119 -2.983 2.980 1.00 2.21 C ATOM 0 H ALA A 41 -9.666 -0.650 2.268 1.00 34.23 H new ATOM 0 HA ALA A 41 -8.504 -3.004 0.950 1.00 53.23 H new ATOM 0 HB1 ALA A 41 -9.150 -4.071 3.043 1.00 2.21 H new ATOM 0 HB2 ALA A 41 -8.155 -2.626 3.342 1.00 2.21 H new ATOM 0 HB3 ALA A 41 -9.916 -2.561 3.593 1.00 2.21 H new ATOM 681 N HIS A 42 -11.763 -2.509 1.433 1.00 75.13 N ATOM 682 CA HIS A 42 -13.089 -2.914 0.986 1.00 13.51 C ATOM 683 C HIS A 42 -13.262 -2.696 -0.518 1.00 20.33 C ATOM 684 O HIS A 42 -13.760 -3.590 -1.206 1.00 15.14 O ATOM 685 CB HIS A 42 -14.167 -2.140 1.761 1.00 62.23 C ATOM 686 CG HIS A 42 -15.533 -2.366 1.168 1.00 34.41 C ATOM 687 ND1 HIS A 42 -16.268 -3.520 1.281 1.00 54.44 N ATOM 688 CD2 HIS A 42 -16.140 -1.581 0.226 1.00 32.01 C ATOM 689 CE1 HIS A 42 -17.291 -3.447 0.421 1.00 55.30 C ATOM 690 NE2 HIS A 42 -17.260 -2.281 -0.245 1.00 44.14 N ATOM 0 H HIS A 42 -11.777 -1.790 2.157 1.00 75.13 H new ATOM 0 HA HIS A 42 -13.199 -3.980 1.185 1.00 13.51 H new ATOM 0 HB2 HIS A 42 -14.164 -2.454 2.805 1.00 62.23 H new ATOM 0 HB3 HIS A 42 -13.934 -1.075 1.748 1.00 62.23 H new ATOM 0 HD2 HIS A 42 -15.816 -0.602 -0.096 1.00 32.01 H new ATOM 0 HE1 HIS A 42 -18.036 -4.217 0.282 1.00 55.30 H new ATOM 0 HE2 HIS A 42 -17.922 -1.966 -0.955 1.00 44.14 H new ATOM 698 N ALA A 43 -12.828 -1.543 -1.031 1.00 11.24 N ATOM 699 CA ALA A 43 -12.940 -1.164 -2.437 1.00 42.33 C ATOM 700 C ALA A 43 -12.165 -2.111 -3.364 1.00 33.24 C ATOM 701 O ALA A 43 -12.334 -2.052 -4.579 1.00 52.32 O ATOM 702 CB ALA A 43 -12.436 0.275 -2.611 1.00 71.52 C ATOM 0 H ALA A 43 -12.376 -0.828 -0.461 1.00 11.24 H new ATOM 0 HA ALA A 43 -13.990 -1.235 -2.720 1.00 42.33 H new ATOM 0 HB1 ALA A 43 -12.517 0.565 -3.659 1.00 71.52 H new ATOM 0 HB2 ALA A 43 -13.039 0.948 -2.001 1.00 71.52 H new ATOM 0 HB3 ALA A 43 -11.394 0.336 -2.297 1.00 71.52 H new ATOM 708 N LEU A 44 -11.327 -2.986 -2.803 1.00 32.42 N ATOM 709 CA LEU A 44 -10.463 -3.920 -3.507 1.00 52.20 C ATOM 710 C LEU A 44 -10.661 -5.349 -2.981 1.00 54.14 C ATOM 711 O LEU A 44 -9.829 -6.211 -3.253 1.00 63.31 O ATOM 712 CB LEU A 44 -9.002 -3.479 -3.319 1.00 43.42 C ATOM 713 CG LEU A 44 -8.660 -2.028 -3.710 1.00 74.54 C ATOM 714 CD1 LEU A 44 -7.171 -1.793 -3.450 1.00 53.00 C ATOM 715 CD2 LEU A 44 -9.001 -1.707 -5.173 1.00 23.53 C ATOM 0 H LEU A 44 -11.232 -3.061 -1.790 1.00 32.42 H new ATOM 0 HA LEU A 44 -10.717 -3.918 -4.567 1.00 52.20 H new ATOM 0 HB2 LEU A 44 -8.736 -3.620 -2.271 1.00 43.42 H new ATOM 0 HB3 LEU A 44 -8.368 -4.147 -3.902 1.00 43.42 H new ATOM 0 HG LEU A 44 -9.270 -1.361 -3.101 1.00 74.54 H new ATOM 0 HD11 LEU A 44 -6.911 -0.770 -3.722 1.00 53.00 H new ATOM 0 HD12 LEU A 44 -6.956 -1.954 -2.393 1.00 53.00 H new ATOM 0 HD13 LEU A 44 -6.583 -2.488 -4.049 1.00 53.00 H new ATOM 0 HD21 LEU A 44 -8.738 -0.672 -5.389 1.00 23.53 H new ATOM 0 HD22 LEU A 44 -8.439 -2.369 -5.831 1.00 23.53 H new ATOM 0 HD23 LEU A 44 -10.069 -1.852 -5.338 1.00 23.53 H new ATOM 727 N LYS A 45 -11.699 -5.602 -2.171 1.00 12.01 N ATOM 728 CA LYS A 45 -11.969 -6.841 -1.435 1.00 72.31 C ATOM 729 C LYS A 45 -10.829 -7.343 -0.534 1.00 31.13 C ATOM 730 O LYS A 45 -10.912 -8.460 -0.010 1.00 4.25 O ATOM 731 CB LYS A 45 -12.435 -7.931 -2.414 1.00 62.13 C ATOM 732 CG LYS A 45 -13.568 -8.741 -1.777 1.00 31.13 C ATOM 733 CD LYS A 45 -13.662 -10.169 -2.304 1.00 13.44 C ATOM 734 CE LYS A 45 -14.852 -10.859 -1.623 1.00 33.42 C ATOM 735 NZ LYS A 45 -14.791 -12.324 -1.773 1.00 72.21 N ATOM 0 H LYS A 45 -12.418 -4.899 -2.003 1.00 12.01 H new ATOM 0 HA LYS A 45 -12.764 -6.598 -0.730 1.00 72.31 H new ATOM 0 HB2 LYS A 45 -12.777 -7.477 -3.344 1.00 62.13 H new ATOM 0 HB3 LYS A 45 -11.602 -8.587 -2.667 1.00 62.13 H new ATOM 0 HG2 LYS A 45 -13.422 -8.769 -0.697 1.00 31.13 H new ATOM 0 HG3 LYS A 45 -14.515 -8.232 -1.958 1.00 31.13 H new ATOM 0 HD2 LYS A 45 -13.794 -10.166 -3.386 1.00 13.44 H new ATOM 0 HD3 LYS A 45 -12.740 -10.711 -2.097 1.00 13.44 H new ATOM 0 HE2 LYS A 45 -14.865 -10.602 -0.564 1.00 33.42 H new ATOM 0 HE3 LYS A 45 -15.783 -10.488 -2.052 1.00 33.42 H new ATOM 0 HZ1 LYS A 45 -15.611 -12.756 -1.301 1.00 72.21 H new ATOM 0 HZ2 LYS A 45 -14.804 -12.570 -2.783 1.00 72.21 H new ATOM 0 HZ3 LYS A 45 -13.915 -12.681 -1.341 1.00 72.21 H new ATOM 749 N LEU A 46 -9.785 -6.550 -0.334 1.00 72.12 N ATOM 750 CA LEU A 46 -8.613 -6.886 0.464 1.00 34.13 C ATOM 751 C LEU A 46 -8.933 -6.727 1.953 1.00 63.12 C ATOM 752 O LEU A 46 -10.015 -6.285 2.338 1.00 34.42 O ATOM 753 CB LEU A 46 -7.431 -5.998 0.024 1.00 55.43 C ATOM 754 CG LEU A 46 -6.766 -6.531 -1.261 1.00 3.35 C ATOM 755 CD1 LEU A 46 -6.020 -5.406 -1.970 1.00 42.14 C ATOM 756 CD2 LEU A 46 -5.752 -7.651 -0.981 1.00 2.43 C ATOM 0 H LEU A 46 -9.729 -5.616 -0.740 1.00 72.12 H new ATOM 0 HA LEU A 46 -8.331 -7.927 0.305 1.00 34.13 H new ATOM 0 HB2 LEU A 46 -7.783 -4.980 -0.143 1.00 55.43 H new ATOM 0 HB3 LEU A 46 -6.692 -5.952 0.824 1.00 55.43 H new ATOM 0 HG LEU A 46 -7.571 -6.929 -1.879 1.00 3.35 H new ATOM 0 HD11 LEU A 46 -5.554 -5.793 -2.876 1.00 42.14 H new ATOM 0 HD12 LEU A 46 -6.721 -4.613 -2.232 1.00 42.14 H new ATOM 0 HD13 LEU A 46 -5.251 -5.006 -1.309 1.00 42.14 H new ATOM 0 HD21 LEU A 46 -5.314 -7.989 -1.920 1.00 2.43 H new ATOM 0 HD22 LEU A 46 -4.964 -7.274 -0.329 1.00 2.43 H new ATOM 0 HD23 LEU A 46 -6.257 -8.486 -0.495 1.00 2.43 H new ATOM 768 N SER A 47 -7.978 -7.087 2.811 1.00 34.25 N ATOM 769 CA SER A 47 -7.975 -6.743 4.220 1.00 0.31 C ATOM 770 C SER A 47 -7.116 -5.485 4.418 1.00 34.45 C ATOM 771 O SER A 47 -6.180 -5.268 3.645 1.00 60.04 O ATOM 772 CB SER A 47 -7.407 -7.916 5.030 1.00 32.25 C ATOM 773 OG SER A 47 -7.494 -9.168 4.364 1.00 42.20 O ATOM 0 H SER A 47 -7.168 -7.640 2.531 1.00 34.25 H new ATOM 0 HA SER A 47 -8.990 -6.543 4.564 1.00 0.31 H new ATOM 0 HB2 SER A 47 -6.362 -7.711 5.264 1.00 32.25 H new ATOM 0 HB3 SER A 47 -7.940 -7.982 5.979 1.00 32.25 H new ATOM 0 HG SER A 47 -7.114 -9.869 4.934 1.00 42.20 H new ATOM 779 N GLU A 48 -7.360 -4.718 5.488 1.00 11.43 N ATOM 780 CA GLU A 48 -6.589 -3.517 5.851 1.00 20.03 C ATOM 781 C GLU A 48 -5.079 -3.781 5.809 1.00 64.10 C ATOM 782 O GLU A 48 -4.305 -2.991 5.266 1.00 51.53 O ATOM 783 CB GLU A 48 -6.908 -3.103 7.292 1.00 53.51 C ATOM 784 CG GLU A 48 -8.313 -2.576 7.602 1.00 43.43 C ATOM 785 CD GLU A 48 -8.534 -2.508 9.124 1.00 52.53 C ATOM 786 OE1 GLU A 48 -7.552 -2.548 9.907 1.00 10.53 O ATOM 787 OE2 GLU A 48 -9.714 -2.553 9.553 1.00 51.20 O ATOM 0 H GLU A 48 -8.116 -4.918 6.142 1.00 11.43 H new ATOM 0 HA GLU A 48 -6.862 -2.744 5.133 1.00 20.03 H new ATOM 0 HB2 GLU A 48 -6.727 -3.966 7.933 1.00 53.51 H new ATOM 0 HB3 GLU A 48 -6.193 -2.334 7.583 1.00 53.51 H new ATOM 0 HG2 GLU A 48 -8.442 -1.586 7.164 1.00 43.43 H new ATOM 0 HG3 GLU A 48 -9.061 -3.226 7.148 1.00 43.43 H new ATOM 794 N VAL A 49 -4.662 -4.903 6.403 1.00 22.35 N ATOM 795 CA VAL A 49 -3.264 -5.274 6.534 1.00 43.51 C ATOM 796 C VAL A 49 -2.635 -5.397 5.150 1.00 14.31 C ATOM 797 O VAL A 49 -1.519 -4.929 4.957 1.00 60.12 O ATOM 798 CB VAL A 49 -3.131 -6.567 7.365 1.00 3.11 C ATOM 799 CG1 VAL A 49 -1.681 -7.070 7.423 1.00 24.23 C ATOM 800 CG2 VAL A 49 -3.620 -6.324 8.800 1.00 13.51 C ATOM 0 H VAL A 49 -5.302 -5.585 6.810 1.00 22.35 H new ATOM 0 HA VAL A 49 -2.721 -4.497 7.072 1.00 43.51 H new ATOM 0 HB VAL A 49 -3.742 -7.324 6.874 1.00 3.11 H new ATOM 0 HG11 VAL A 49 -1.636 -7.982 8.018 1.00 24.23 H new ATOM 0 HG12 VAL A 49 -1.327 -7.278 6.413 1.00 24.23 H new ATOM 0 HG13 VAL A 49 -1.049 -6.308 7.879 1.00 24.23 H new ATOM 0 HG21 VAL A 49 -3.522 -7.243 9.378 1.00 13.51 H new ATOM 0 HG22 VAL A 49 -3.020 -5.539 9.261 1.00 13.51 H new ATOM 0 HG23 VAL A 49 -4.666 -6.017 8.781 1.00 13.51 H new ATOM 810 N GLN A 50 -3.326 -5.993 4.179 1.00 35.11 N ATOM 811 CA GLN A 50 -2.759 -6.251 2.866 1.00 1.04 C ATOM 812 C GLN A 50 -2.455 -4.926 2.165 1.00 62.21 C ATOM 813 O GLN A 50 -1.386 -4.777 1.572 1.00 43.44 O ATOM 814 CB GLN A 50 -3.721 -7.109 2.030 1.00 22.44 C ATOM 815 CG GLN A 50 -4.322 -8.330 2.744 1.00 32.34 C ATOM 816 CD GLN A 50 -3.276 -9.216 3.413 1.00 62.24 C ATOM 817 OE1 GLN A 50 -2.961 -9.044 4.588 1.00 14.33 O ATOM 818 NE2 GLN A 50 -2.678 -10.137 2.679 1.00 63.31 N ATOM 0 H GLN A 50 -4.291 -6.308 4.285 1.00 35.11 H new ATOM 0 HA GLN A 50 -1.827 -6.804 2.979 1.00 1.04 H new ATOM 0 HB2 GLN A 50 -4.538 -6.475 1.686 1.00 22.44 H new ATOM 0 HB3 GLN A 50 -3.191 -7.455 1.143 1.00 22.44 H new ATOM 0 HG2 GLN A 50 -5.033 -7.988 3.496 1.00 32.34 H new ATOM 0 HG3 GLN A 50 -4.883 -8.924 2.022 1.00 32.34 H new ATOM 0 HE21 GLN A 50 -2.950 -10.269 1.705 1.00 63.31 H new ATOM 0 HE22 GLN A 50 -1.944 -10.717 3.086 1.00 63.31 H new ATOM 827 N VAL A 51 -3.372 -3.957 2.273 1.00 74.52 N ATOM 828 CA VAL A 51 -3.177 -2.594 1.795 1.00 15.31 C ATOM 829 C VAL A 51 -1.927 -2.028 2.470 1.00 0.12 C ATOM 830 O VAL A 51 -1.005 -1.591 1.781 1.00 75.13 O ATOM 831 CB VAL A 51 -4.440 -1.741 2.061 1.00 21.21 C ATOM 832 CG1 VAL A 51 -4.287 -0.315 1.515 1.00 34.11 C ATOM 833 CG2 VAL A 51 -5.694 -2.368 1.440 1.00 40.32 C ATOM 0 H VAL A 51 -4.284 -4.107 2.704 1.00 74.52 H new ATOM 0 HA VAL A 51 -3.025 -2.578 0.716 1.00 15.31 H new ATOM 0 HB VAL A 51 -4.554 -1.705 3.144 1.00 21.21 H new ATOM 0 HG11 VAL A 51 -5.194 0.253 1.721 1.00 34.11 H new ATOM 0 HG12 VAL A 51 -3.438 0.170 1.997 1.00 34.11 H new ATOM 0 HG13 VAL A 51 -4.120 -0.354 0.439 1.00 34.11 H new ATOM 0 HG21 VAL A 51 -6.558 -1.738 1.650 1.00 40.32 H new ATOM 0 HG22 VAL A 51 -5.562 -2.455 0.362 1.00 40.32 H new ATOM 0 HG23 VAL A 51 -5.855 -3.358 1.866 1.00 40.32 H new ATOM 843 N LYS A 52 -1.849 -2.082 3.808 1.00 54.23 N ATOM 844 CA LYS A 52 -0.674 -1.628 4.551 1.00 65.40 C ATOM 845 C LYS A 52 0.611 -2.252 3.996 1.00 15.11 C ATOM 846 O LYS A 52 1.592 -1.524 3.840 1.00 75.12 O ATOM 847 CB LYS A 52 -0.864 -1.880 6.060 1.00 50.40 C ATOM 848 CG LYS A 52 0.436 -1.719 6.865 1.00 2.43 C ATOM 849 CD LYS A 52 0.228 -1.867 8.375 1.00 25.41 C ATOM 850 CE LYS A 52 -0.071 -3.311 8.785 1.00 10.25 C ATOM 851 NZ LYS A 52 -0.299 -3.429 10.241 1.00 44.34 N ATOM 0 H LYS A 52 -2.598 -2.441 4.400 1.00 54.23 H new ATOM 0 HA LYS A 52 -0.566 -0.551 4.418 1.00 65.40 H new ATOM 0 HB2 LYS A 52 -1.612 -1.188 6.447 1.00 50.40 H new ATOM 0 HB3 LYS A 52 -1.254 -2.887 6.208 1.00 50.40 H new ATOM 0 HG2 LYS A 52 1.159 -2.462 6.529 1.00 2.43 H new ATOM 0 HG3 LYS A 52 0.866 -0.739 6.658 1.00 2.43 H new ATOM 0 HD2 LYS A 52 1.120 -1.521 8.897 1.00 25.41 H new ATOM 0 HD3 LYS A 52 -0.595 -1.225 8.690 1.00 25.41 H new ATOM 0 HE2 LYS A 52 -0.951 -3.667 8.249 1.00 10.25 H new ATOM 0 HE3 LYS A 52 0.761 -3.952 8.494 1.00 10.25 H new ATOM 0 HZ1 LYS A 52 -0.499 -4.421 10.482 1.00 44.34 H new ATOM 0 HZ2 LYS A 52 0.550 -3.113 10.752 1.00 44.34 H new ATOM 0 HZ3 LYS A 52 -1.109 -2.837 10.515 1.00 44.34 H new ATOM 865 N ILE A 53 0.638 -3.562 3.723 1.00 14.43 N ATOM 866 CA ILE A 53 1.843 -4.229 3.247 1.00 74.13 C ATOM 867 C ILE A 53 2.240 -3.691 1.862 1.00 14.04 C ATOM 868 O ILE A 53 3.434 -3.537 1.605 1.00 32.41 O ATOM 869 CB ILE A 53 1.714 -5.770 3.251 1.00 42.12 C ATOM 870 CG1 ILE A 53 1.309 -6.407 4.599 1.00 32.13 C ATOM 871 CG2 ILE A 53 3.059 -6.401 2.856 1.00 42.42 C ATOM 872 CD1 ILE A 53 1.851 -5.756 5.878 1.00 73.53 C ATOM 0 H ILE A 53 -0.168 -4.179 3.826 1.00 14.43 H new ATOM 0 HA ILE A 53 2.644 -3.997 3.949 1.00 74.13 H new ATOM 0 HB ILE A 53 0.910 -5.971 2.543 1.00 42.12 H new ATOM 0 HG12 ILE A 53 0.221 -6.409 4.657 1.00 32.13 H new ATOM 0 HG13 ILE A 53 1.630 -7.449 4.589 1.00 32.13 H new ATOM 0 HG21 ILE A 53 2.966 -7.487 2.859 1.00 42.42 H new ATOM 0 HG22 ILE A 53 3.340 -6.064 1.858 1.00 42.42 H new ATOM 0 HG23 ILE A 53 3.826 -6.100 3.570 1.00 42.42 H new ATOM 0 HD11 ILE A 53 1.488 -6.304 6.747 1.00 73.53 H new ATOM 0 HD12 ILE A 53 2.941 -5.778 5.864 1.00 73.53 H new ATOM 0 HD13 ILE A 53 1.510 -4.722 5.933 1.00 73.53 H new ATOM 884 N TRP A 54 1.294 -3.395 0.961 1.00 64.40 N ATOM 885 CA TRP A 54 1.671 -2.797 -0.320 1.00 12.32 C ATOM 886 C TRP A 54 2.237 -1.397 -0.087 1.00 43.33 C ATOM 887 O TRP A 54 3.363 -1.130 -0.503 1.00 42.11 O ATOM 888 CB TRP A 54 0.506 -2.772 -1.314 1.00 14.24 C ATOM 889 CG TRP A 54 0.959 -2.741 -2.743 1.00 44.12 C ATOM 890 CD1 TRP A 54 1.039 -3.814 -3.563 1.00 24.23 C ATOM 891 CD2 TRP A 54 1.351 -1.590 -3.560 1.00 53.04 C ATOM 892 NE1 TRP A 54 1.491 -3.417 -4.804 1.00 3.14 N ATOM 893 CE2 TRP A 54 1.692 -2.056 -4.864 1.00 1.04 C ATOM 894 CE3 TRP A 54 1.357 -0.191 -3.366 1.00 24.11 C ATOM 895 CZ2 TRP A 54 2.076 -1.190 -5.898 1.00 35.33 C ATOM 896 CZ3 TRP A 54 1.686 0.690 -4.416 1.00 53.32 C ATOM 897 CH2 TRP A 54 2.074 0.193 -5.669 1.00 23.44 C ATOM 0 H TRP A 54 0.295 -3.554 1.090 1.00 64.40 H new ATOM 0 HA TRP A 54 2.442 -3.421 -0.771 1.00 12.32 H new ATOM 0 HB2 TRP A 54 -0.119 -3.651 -1.155 1.00 14.24 H new ATOM 0 HB3 TRP A 54 -0.115 -1.899 -1.116 1.00 14.24 H new ATOM 0 HD1 TRP A 54 0.787 -4.827 -3.288 1.00 24.23 H new ATOM 0 HE1 TRP A 54 1.656 -4.054 -5.583 1.00 3.14 H new ATOM 0 HE3 TRP A 54 1.105 0.211 -2.396 1.00 24.11 H new ATOM 0 HZ2 TRP A 54 2.370 -1.584 -6.860 1.00 35.33 H new ATOM 0 HZ3 TRP A 54 1.639 1.757 -4.254 1.00 53.32 H new ATOM 0 HH2 TRP A 54 2.370 0.873 -6.454 1.00 23.44 H new ATOM 908 N PHE A 55 1.502 -0.544 0.639 1.00 11.44 N ATOM 909 CA PHE A 55 1.893 0.837 0.913 1.00 0.42 C ATOM 910 C PHE A 55 3.321 0.877 1.448 1.00 35.10 C ATOM 911 O PHE A 55 4.173 1.532 0.853 1.00 1.02 O ATOM 912 CB PHE A 55 0.888 1.545 1.849 1.00 42.04 C ATOM 913 CG PHE A 55 -0.316 2.193 1.174 1.00 65.30 C ATOM 914 CD1 PHE A 55 -1.267 1.408 0.494 1.00 62.50 C ATOM 915 CD2 PHE A 55 -0.527 3.587 1.275 1.00 45.02 C ATOM 916 CE1 PHE A 55 -2.414 2.002 -0.055 1.00 4.31 C ATOM 917 CE2 PHE A 55 -1.661 4.180 0.684 1.00 5.31 C ATOM 918 CZ PHE A 55 -2.599 3.382 0.024 1.00 52.22 C ATOM 0 H PHE A 55 0.608 -0.802 1.056 1.00 11.44 H new ATOM 0 HA PHE A 55 1.871 1.397 -0.022 1.00 0.42 H new ATOM 0 HB2 PHE A 55 0.524 0.818 2.575 1.00 42.04 H new ATOM 0 HB3 PHE A 55 1.422 2.313 2.408 1.00 42.04 H new ATOM 0 HD1 PHE A 55 -1.113 0.344 0.394 1.00 62.50 H new ATOM 0 HD2 PHE A 55 0.184 4.201 1.808 1.00 45.02 H new ATOM 0 HE1 PHE A 55 -3.157 1.387 -0.541 1.00 4.31 H new ATOM 0 HE2 PHE A 55 -1.805 5.249 0.741 1.00 5.31 H new ATOM 0 HZ PHE A 55 -3.470 3.835 -0.426 1.00 52.22 H new ATOM 928 N GLN A 56 3.621 0.134 2.520 1.00 4.44 N ATOM 929 CA GLN A 56 4.953 0.156 3.120 1.00 12.22 C ATOM 930 C GLN A 56 6.067 -0.246 2.151 1.00 12.23 C ATOM 931 O GLN A 56 7.182 0.269 2.260 1.00 71.52 O ATOM 932 CB GLN A 56 5.030 -0.727 4.372 1.00 52.23 C ATOM 933 CG GLN A 56 4.932 -2.225 4.082 1.00 72.53 C ATOM 934 CD GLN A 56 4.916 -3.193 5.260 1.00 2.04 C ATOM 935 OE1 GLN A 56 5.343 -4.340 5.136 1.00 43.42 O ATOM 936 NE2 GLN A 56 4.368 -2.843 6.408 1.00 65.41 N ATOM 0 H GLN A 56 2.959 -0.487 2.986 1.00 4.44 H new ATOM 0 HA GLN A 56 5.116 1.197 3.398 1.00 12.22 H new ATOM 0 HB2 GLN A 56 5.969 -0.528 4.888 1.00 52.23 H new ATOM 0 HB3 GLN A 56 4.227 -0.446 5.053 1.00 52.23 H new ATOM 0 HG2 GLN A 56 4.024 -2.392 3.503 1.00 72.53 H new ATOM 0 HG3 GLN A 56 5.772 -2.495 3.442 1.00 72.53 H new ATOM 0 HE21 GLN A 56 4.007 -1.897 6.534 1.00 65.41 H new ATOM 0 HE22 GLN A 56 4.305 -3.518 7.170 1.00 65.41 H new ATOM 945 N ASN A 57 5.792 -1.210 1.271 1.00 13.13 N ATOM 946 CA ASN A 57 6.781 -1.785 0.373 1.00 40.34 C ATOM 947 C ASN A 57 7.152 -0.734 -0.660 1.00 11.42 C ATOM 948 O ASN A 57 8.323 -0.520 -0.968 1.00 64.25 O ATOM 949 CB ASN A 57 6.203 -3.047 -0.295 1.00 54.42 C ATOM 950 CG ASN A 57 6.600 -4.299 0.467 1.00 15.15 C ATOM 951 OD1 ASN A 57 7.407 -5.088 -0.011 1.00 74.24 O ATOM 952 ND2 ASN A 57 6.094 -4.518 1.671 1.00 41.11 N ATOM 0 H ASN A 57 4.862 -1.615 1.165 1.00 13.13 H new ATOM 0 HA ASN A 57 7.676 -2.080 0.920 1.00 40.34 H new ATOM 0 HB2 ASN A 57 5.116 -2.974 -0.339 1.00 54.42 H new ATOM 0 HB3 ASN A 57 6.560 -3.114 -1.323 1.00 54.42 H new ATOM 0 HD21 ASN A 57 6.376 -5.343 2.200 1.00 41.11 H new ATOM 0 HD22 ASN A 57 5.422 -3.862 2.069 1.00 41.11 H new ATOM 959 N GLU A 58 6.139 -0.026 -1.146 1.00 11.13 N ATOM 960 CA GLU A 58 6.333 0.977 -2.188 1.00 33.21 C ATOM 961 C GLU A 58 7.027 2.195 -1.560 1.00 1.22 C ATOM 962 O GLU A 58 7.943 2.776 -2.141 1.00 71.43 O ATOM 963 CB GLU A 58 4.991 1.304 -2.864 1.00 11.31 C ATOM 964 CG GLU A 58 5.166 1.934 -4.260 1.00 75.15 C ATOM 965 CD GLU A 58 5.744 0.998 -5.344 1.00 55.35 C ATOM 966 OE1 GLU A 58 5.771 -0.244 -5.179 1.00 15.11 O ATOM 967 OE2 GLU A 58 6.187 1.539 -6.386 1.00 12.44 O ATOM 0 H GLU A 58 5.173 -0.128 -0.835 1.00 11.13 H new ATOM 0 HA GLU A 58 6.978 0.606 -2.984 1.00 33.21 H new ATOM 0 HB2 GLU A 58 4.402 0.391 -2.953 1.00 11.31 H new ATOM 0 HB3 GLU A 58 4.426 1.987 -2.230 1.00 11.31 H new ATOM 0 HG2 GLU A 58 4.196 2.299 -4.599 1.00 75.15 H new ATOM 0 HG3 GLU A 58 5.819 2.802 -4.168 1.00 75.15 H new ATOM 974 N ARG A 59 6.696 2.508 -0.300 1.00 20.23 N ATOM 975 CA ARG A 59 7.330 3.546 0.516 1.00 24.33 C ATOM 976 C ARG A 59 8.795 3.278 0.869 1.00 12.02 C ATOM 977 O ARG A 59 9.404 4.130 1.512 1.00 73.43 O ATOM 978 CB ARG A 59 6.516 3.759 1.809 1.00 14.12 C ATOM 979 CG ARG A 59 5.963 5.191 1.968 1.00 22.50 C ATOM 980 CD ARG A 59 6.481 5.904 3.221 1.00 24.41 C ATOM 981 NE ARG A 59 7.951 5.888 3.269 1.00 50.11 N ATOM 982 CZ ARG A 59 8.696 5.678 4.357 1.00 43.14 C ATOM 983 NH1 ARG A 59 8.204 5.865 5.579 1.00 21.40 N ATOM 984 NH2 ARG A 59 9.926 5.216 4.198 1.00 44.23 N ATOM 0 H ARG A 59 5.948 2.024 0.197 1.00 20.23 H new ATOM 0 HA ARG A 59 7.334 4.445 -0.101 1.00 24.33 H new ATOM 0 HB2 ARG A 59 5.684 3.055 1.824 1.00 14.12 H new ATOM 0 HB3 ARG A 59 7.147 3.526 2.667 1.00 14.12 H new ATOM 0 HG2 ARG A 59 6.231 5.776 1.088 1.00 22.50 H new ATOM 0 HG3 ARG A 59 4.874 5.151 2.005 1.00 22.50 H new ATOM 0 HD2 ARG A 59 6.125 6.934 3.231 1.00 24.41 H new ATOM 0 HD3 ARG A 59 6.080 5.420 4.111 1.00 24.41 H new ATOM 0 HE ARG A 59 8.446 6.052 2.392 1.00 50.11 H new ATOM 0 HH11 ARG A 59 7.240 6.175 5.699 1.00 21.40 H new ATOM 0 HH12 ARG A 59 8.791 5.698 6.396 1.00 21.40 H new ATOM 0 HH21 ARG A 59 10.283 5.029 3.261 1.00 44.23 H new ATOM 0 HH22 ARG A 59 10.516 5.047 5.012 1.00 44.23 H new ATOM 998 N ALA A 60 9.367 2.133 0.506 1.00 41.44 N ATOM 999 CA ALA A 60 10.818 1.938 0.522 1.00 72.35 C ATOM 1000 C ALA A 60 11.385 2.063 -0.888 1.00 64.32 C ATOM 1001 O ALA A 60 12.382 2.761 -1.084 1.00 74.15 O ATOM 1002 CB ALA A 60 11.162 0.592 1.163 1.00 12.22 C ATOM 0 H ALA A 60 8.842 1.316 0.193 1.00 41.44 H new ATOM 0 HA ALA A 60 11.280 2.717 1.128 1.00 72.35 H new ATOM 0 HB1 ALA A 60 12.244 0.458 1.169 1.00 12.22 H new ATOM 0 HB2 ALA A 60 10.788 0.570 2.186 1.00 12.22 H new ATOM 0 HB3 ALA A 60 10.700 -0.212 0.590 1.00 12.22 H new ATOM 1008 N LYS A 61 10.724 1.465 -1.884 1.00 21.14 N ATOM 1009 CA LYS A 61 11.145 1.501 -3.267 1.00 52.04 C ATOM 1010 C LYS A 61 11.263 2.938 -3.766 1.00 12.30 C ATOM 1011 O LYS A 61 12.334 3.354 -4.213 1.00 24.12 O ATOM 1012 CB LYS A 61 10.180 0.582 -4.040 1.00 41.33 C ATOM 1013 CG LYS A 61 10.013 0.940 -5.511 1.00 2.43 C ATOM 1014 CD LYS A 61 9.309 -0.178 -6.288 1.00 54.45 C ATOM 1015 CE LYS A 61 8.825 0.354 -7.640 1.00 63.51 C ATOM 1016 NZ LYS A 61 8.207 -0.701 -8.467 1.00 75.21 N ATOM 0 H LYS A 61 9.865 0.935 -1.737 1.00 21.14 H new ATOM 0 HA LYS A 61 12.153 1.116 -3.420 1.00 52.04 H new ATOM 0 HB2 LYS A 61 10.539 -0.445 -3.967 1.00 41.33 H new ATOM 0 HB3 LYS A 61 9.203 0.613 -3.558 1.00 41.33 H new ATOM 0 HG2 LYS A 61 9.438 1.862 -5.599 1.00 2.43 H new ATOM 0 HG3 LYS A 61 10.991 1.131 -5.953 1.00 2.43 H new ATOM 0 HD2 LYS A 61 9.992 -1.014 -6.439 1.00 54.45 H new ATOM 0 HD3 LYS A 61 8.464 -0.557 -5.713 1.00 54.45 H new ATOM 0 HE2 LYS A 61 8.103 1.154 -7.476 1.00 63.51 H new ATOM 0 HE3 LYS A 61 9.666 0.789 -8.179 1.00 63.51 H new ATOM 0 HZ1 LYS A 61 7.895 -0.294 -9.372 1.00 75.21 H new ATOM 0 HZ2 LYS A 61 8.902 -1.453 -8.647 1.00 75.21 H new ATOM 0 HZ3 LYS A 61 7.388 -1.100 -7.966 1.00 75.21 H new ATOM 1030 N TRP A 62 10.203 3.731 -3.628 1.00 4.32 N ATOM 1031 CA TRP A 62 10.243 5.124 -4.042 1.00 35.33 C ATOM 1032 C TRP A 62 11.203 5.941 -3.173 1.00 74.22 C ATOM 1033 O TRP A 62 11.782 6.918 -3.639 1.00 52.12 O ATOM 1034 CB TRP A 62 8.834 5.712 -4.010 1.00 42.04 C ATOM 1035 CG TRP A 62 8.604 6.826 -4.987 1.00 54.01 C ATOM 1036 CD1 TRP A 62 8.037 6.687 -6.207 1.00 60.21 C ATOM 1037 CD2 TRP A 62 8.917 8.248 -4.860 1.00 70.45 C ATOM 1038 NE1 TRP A 62 7.954 7.919 -6.824 1.00 24.51 N ATOM 1039 CE2 TRP A 62 8.486 8.919 -6.043 1.00 15.10 C ATOM 1040 CE3 TRP A 62 9.516 9.044 -3.863 1.00 12.24 C ATOM 1041 CZ2 TRP A 62 8.617 10.306 -6.215 1.00 41.05 C ATOM 1042 CZ3 TRP A 62 9.685 10.431 -4.035 1.00 71.15 C ATOM 1043 CH2 TRP A 62 9.229 11.065 -5.204 1.00 23.50 C ATOM 0 H TRP A 62 9.311 3.431 -3.234 1.00 4.32 H new ATOM 0 HA TRP A 62 10.621 5.170 -5.063 1.00 35.33 H new ATOM 0 HB2 TRP A 62 8.117 4.916 -4.210 1.00 42.04 H new ATOM 0 HB3 TRP A 62 8.630 6.079 -3.004 1.00 42.04 H new ATOM 0 HD1 TRP A 62 7.700 5.754 -6.634 1.00 60.21 H new ATOM 0 HE1 TRP A 62 7.547 8.070 -7.747 1.00 24.51 H new ATOM 0 HE3 TRP A 62 9.853 8.580 -2.948 1.00 12.24 H new ATOM 0 HZ2 TRP A 62 8.252 10.783 -7.113 1.00 41.05 H new ATOM 0 HZ3 TRP A 62 10.168 11.012 -3.264 1.00 71.15 H new ATOM 0 HH2 TRP A 62 9.349 12.132 -5.324 1.00 23.50 H new ATOM 1054 N LYS A 63 11.434 5.545 -1.920 1.00 45.21 N ATOM 1055 CA LYS A 63 12.391 6.237 -1.064 1.00 65.14 C ATOM 1056 C LYS A 63 13.837 6.042 -1.505 1.00 2.02 C ATOM 1057 O LYS A 63 14.669 6.859 -1.108 1.00 23.43 O ATOM 1058 CB LYS A 63 12.180 5.825 0.398 1.00 65.55 C ATOM 1059 CG LYS A 63 11.250 6.817 1.116 1.00 54.44 C ATOM 1060 CD LYS A 63 11.969 7.558 2.235 1.00 63.13 C ATOM 1061 CE LYS A 63 13.061 8.474 1.663 1.00 22.31 C ATOM 1062 NZ LYS A 63 13.314 9.613 2.563 1.00 33.34 N ATOM 0 H LYS A 63 10.971 4.750 -1.479 1.00 45.21 H new ATOM 0 HA LYS A 63 12.201 7.306 -1.159 1.00 65.14 H new ATOM 0 HB2 LYS A 63 11.753 4.823 0.440 1.00 65.55 H new ATOM 0 HB3 LYS A 63 13.141 5.784 0.911 1.00 65.55 H new ATOM 0 HG2 LYS A 63 10.860 7.536 0.396 1.00 54.44 H new ATOM 0 HG3 LYS A 63 10.394 6.281 1.526 1.00 54.44 H new ATOM 0 HD2 LYS A 63 11.253 8.149 2.805 1.00 63.13 H new ATOM 0 HD3 LYS A 63 12.413 6.842 2.926 1.00 63.13 H new ATOM 0 HE2 LYS A 63 13.980 7.906 1.521 1.00 22.31 H new ATOM 0 HE3 LYS A 63 12.758 8.840 0.682 1.00 22.31 H new ATOM 0 HZ1 LYS A 63 14.055 10.219 2.157 1.00 33.34 H new ATOM 0 HZ2 LYS A 63 12.440 10.165 2.678 1.00 33.34 H new ATOM 0 HZ3 LYS A 63 13.625 9.260 3.490 1.00 33.34 H new ATOM 1076 N ARG A 64 14.170 5.033 -2.315 1.00 20.21 N ATOM 1077 CA ARG A 64 15.449 5.004 -3.021 1.00 0.44 C ATOM 1078 C ARG A 64 15.454 5.848 -4.279 1.00 63.31 C ATOM 1079 O ARG A 64 16.507 6.362 -4.639 1.00 35.42 O ATOM 1080 CB ARG A 64 15.849 3.562 -3.339 1.00 44.14 C ATOM 1081 CG ARG A 64 16.604 2.981 -2.148 1.00 60.54 C ATOM 1082 CD ARG A 64 17.212 1.611 -2.473 1.00 1.33 C ATOM 1083 NE ARG A 64 18.497 1.423 -1.777 1.00 53.35 N ATOM 1084 CZ ARG A 64 19.581 0.825 -2.285 1.00 75.44 C ATOM 1085 NH1 ARG A 64 19.557 0.211 -3.464 1.00 60.53 N ATOM 1086 NH2 ARG A 64 20.710 0.782 -1.593 1.00 53.04 N ATOM 0 H ARG A 64 13.571 4.228 -2.496 1.00 20.21 H new ATOM 0 HA ARG A 64 16.186 5.446 -2.351 1.00 0.44 H new ATOM 0 HB2 ARG A 64 14.963 2.964 -3.551 1.00 44.14 H new ATOM 0 HB3 ARG A 64 16.474 3.533 -4.231 1.00 44.14 H new ATOM 0 HG2 ARG A 64 17.395 3.668 -1.849 1.00 60.54 H new ATOM 0 HG3 ARG A 64 15.927 2.886 -1.299 1.00 60.54 H new ATOM 0 HD2 ARG A 64 16.518 0.823 -2.181 1.00 1.33 H new ATOM 0 HD3 ARG A 64 17.361 1.522 -3.549 1.00 1.33 H new ATOM 0 HE ARG A 64 18.566 1.780 -0.824 1.00 53.35 H new ATOM 0 HH11 ARG A 64 18.695 0.187 -4.009 1.00 60.53 H new ATOM 0 HH12 ARG A 64 20.401 -0.236 -3.824 1.00 60.53 H new ATOM 0 HH21 ARG A 64 20.757 1.206 -0.667 1.00 53.04 H new ATOM 0 HH22 ARG A 64 21.532 0.324 -1.987 1.00 53.04 H new ATOM 1100 N ILE A 65 14.300 6.012 -4.912 1.00 52.22 N ATOM 1101 CA ILE A 65 14.139 6.914 -6.047 1.00 42.03 C ATOM 1102 C ILE A 65 14.402 8.328 -5.524 1.00 55.23 C ATOM 1103 O ILE A 65 15.459 8.892 -5.791 1.00 33.52 O ATOM 1104 CB ILE A 65 12.773 6.724 -6.765 1.00 74.41 C ATOM 1105 CG1 ILE A 65 12.663 5.283 -7.320 1.00 34.44 C ATOM 1106 CG2 ILE A 65 12.577 7.774 -7.875 1.00 2.30 C ATOM 1107 CD1 ILE A 65 11.301 4.932 -7.934 1.00 32.43 C ATOM 0 H ILE A 65 13.445 5.521 -4.652 1.00 52.22 H new ATOM 0 HA ILE A 65 14.856 6.694 -6.838 1.00 42.03 H new ATOM 0 HB ILE A 65 11.973 6.873 -6.039 1.00 74.41 H new ATOM 0 HG12 ILE A 65 13.434 5.140 -8.077 1.00 34.44 H new ATOM 0 HG13 ILE A 65 12.874 4.581 -6.513 1.00 34.44 H new ATOM 0 HG21 ILE A 65 11.613 7.616 -8.359 1.00 2.30 H new ATOM 0 HG22 ILE A 65 12.605 8.773 -7.440 1.00 2.30 H new ATOM 0 HG23 ILE A 65 13.374 7.677 -8.612 1.00 2.30 H new ATOM 0 HD11 ILE A 65 11.319 3.904 -8.295 1.00 32.43 H new ATOM 0 HD12 ILE A 65 10.523 5.037 -7.178 1.00 32.43 H new ATOM 0 HD13 ILE A 65 11.092 5.605 -8.765 1.00 32.43 H new ATOM 1119 N LYS A 66 13.464 8.911 -4.768 1.00 72.13 N ATOM 1120 CA LYS A 66 13.458 10.283 -4.261 1.00 3.20 C ATOM 1121 C LYS A 66 13.852 11.372 -5.276 1.00 64.13 C ATOM 1122 O LYS A 66 14.072 12.516 -4.872 1.00 74.54 O ATOM 1123 CB LYS A 66 14.273 10.357 -2.965 1.00 32.30 C ATOM 1124 CG LYS A 66 13.669 11.376 -1.979 1.00 54.32 C ATOM 1125 CD LYS A 66 14.756 12.037 -1.133 1.00 70.11 C ATOM 1126 CE LYS A 66 15.486 13.106 -1.962 1.00 53.21 C ATOM 1127 NZ LYS A 66 16.683 13.648 -1.287 1.00 32.44 N ATOM 0 H LYS A 66 12.632 8.398 -4.476 1.00 72.13 H new ATOM 0 HA LYS A 66 12.416 10.523 -4.050 1.00 3.20 H new ATOM 0 HB2 LYS A 66 14.307 9.373 -2.498 1.00 32.30 H new ATOM 0 HB3 LYS A 66 15.301 10.636 -3.195 1.00 32.30 H new ATOM 0 HG2 LYS A 66 13.120 12.139 -2.531 1.00 54.32 H new ATOM 0 HG3 LYS A 66 12.952 10.875 -1.328 1.00 54.32 H new ATOM 0 HD2 LYS A 66 14.313 12.491 -0.247 1.00 70.11 H new ATOM 0 HD3 LYS A 66 15.466 11.286 -0.786 1.00 70.11 H new ATOM 0 HE2 LYS A 66 15.780 12.676 -2.919 1.00 53.21 H new ATOM 0 HE3 LYS A 66 14.797 13.923 -2.177 1.00 53.21 H new ATOM 0 HZ1 LYS A 66 17.131 14.363 -1.895 1.00 32.44 H new ATOM 0 HZ2 LYS A 66 16.405 14.085 -0.385 1.00 32.44 H new ATOM 0 HZ3 LYS A 66 17.357 12.878 -1.104 1.00 32.44 H new ATOM 1141 N ALA A 67 13.920 11.067 -6.572 1.00 41.04 N ATOM 1142 CA ALA A 67 14.195 12.029 -7.625 1.00 74.51 C ATOM 1143 C ALA A 67 13.084 13.075 -7.648 1.00 24.33 C ATOM 1144 O ALA A 67 13.336 14.264 -7.473 1.00 54.22 O ATOM 1145 CB ALA A 67 14.336 11.298 -8.964 1.00 72.51 C ATOM 0 H ALA A 67 13.781 10.119 -6.921 1.00 41.04 H new ATOM 0 HA ALA A 67 15.136 12.547 -7.438 1.00 74.51 H new ATOM 0 HB1 ALA A 67 14.542 12.021 -9.753 1.00 72.51 H new ATOM 0 HB2 ALA A 67 15.156 10.583 -8.903 1.00 72.51 H new ATOM 0 HB3 ALA A 67 13.410 10.769 -9.189 1.00 72.51 H new ATOM 1151 N GLY A 68 11.845 12.607 -7.776 1.00 34.13 N ATOM 1152 CA GLY A 68 10.661 13.453 -7.760 1.00 12.13 C ATOM 1153 C GLY A 68 10.527 14.232 -9.060 1.00 42.23 C ATOM 1154 O GLY A 68 10.459 15.461 -9.040 1.00 64.44 O ATOM 0 H GLY A 68 11.635 11.616 -7.895 1.00 34.13 H new ATOM 0 HA2 GLY A 68 9.773 12.839 -7.607 1.00 12.13 H new ATOM 0 HA3 GLY A 68 10.717 14.147 -6.921 1.00 12.13 H new ATOM 1158 N ASN A 69 10.450 13.499 -10.170 1.00 21.34 N ATOM 1159 CA ASN A 69 9.936 13.979 -11.448 1.00 22.22 C ATOM 1160 C ASN A 69 8.789 13.052 -11.874 1.00 72.35 C ATOM 1161 O ASN A 69 8.689 12.648 -13.032 1.00 63.25 O ATOM 1162 CB ASN A 69 11.068 14.056 -12.479 1.00 24.14 C ATOM 1163 CG ASN A 69 10.752 15.106 -13.537 1.00 41.05 C ATOM 1164 OD1 ASN A 69 9.666 15.149 -14.110 1.00 23.10 O ATOM 1165 ND2 ASN A 69 11.658 16.034 -13.769 1.00 61.52 N ATOM 0 H ASN A 69 10.753 12.526 -10.204 1.00 21.34 H new ATOM 0 HA ASN A 69 9.542 14.992 -11.363 1.00 22.22 H new ATOM 0 HB2 ASN A 69 12.006 14.303 -11.981 1.00 24.14 H new ATOM 0 HB3 ASN A 69 11.205 13.084 -12.952 1.00 24.14 H new ATOM 0 HD21 ASN A 69 11.458 16.789 -14.425 1.00 61.52 H new ATOM 0 HD22 ASN A 69 12.559 15.997 -13.293 1.00 61.52 H new ATOM 1172 N VAL A 70 8.004 12.610 -10.885 1.00 11.00 N ATOM 1173 CA VAL A 70 6.956 11.587 -10.957 1.00 23.43 C ATOM 1174 C VAL A 70 7.406 10.334 -11.747 1.00 55.32 C ATOM 1175 O VAL A 70 6.639 9.723 -12.496 1.00 12.23 O ATOM 1176 CB VAL A 70 5.603 12.254 -11.303 1.00 64.44 C ATOM 1177 CG1 VAL A 70 5.471 12.781 -12.736 1.00 51.35 C ATOM 1178 CG2 VAL A 70 4.421 11.339 -10.963 1.00 21.53 C ATOM 0 H VAL A 70 8.092 12.987 -9.942 1.00 11.00 H new ATOM 0 HA VAL A 70 6.770 11.133 -9.984 1.00 23.43 H new ATOM 0 HB VAL A 70 5.581 13.140 -10.669 1.00 64.44 H new ATOM 0 HG11 VAL A 70 4.486 13.228 -12.870 1.00 51.35 H new ATOM 0 HG12 VAL A 70 6.238 13.533 -12.919 1.00 51.35 H new ATOM 0 HG13 VAL A 70 5.595 11.958 -13.439 1.00 51.35 H new ATOM 0 HG21 VAL A 70 3.488 11.840 -11.219 1.00 21.53 H new ATOM 0 HG22 VAL A 70 4.503 10.412 -11.531 1.00 21.53 H new ATOM 0 HG23 VAL A 70 4.431 11.113 -9.897 1.00 21.53 H new ATOM 1188 N SER A 71 8.673 9.955 -11.569 1.00 63.32 N ATOM 1189 CA SER A 71 9.334 8.821 -12.191 1.00 32.54 C ATOM 1190 C SER A 71 9.121 7.610 -11.291 1.00 72.45 C ATOM 1191 O SER A 71 7.954 7.199 -11.134 1.00 14.01 O ATOM 1192 CB SER A 71 10.808 9.190 -12.394 1.00 15.44 C ATOM 1193 OG SER A 71 11.436 8.361 -13.349 1.00 32.53 O ATOM 0 H SER A 71 9.298 10.468 -10.947 1.00 63.32 H new ATOM 0 HA SER A 71 8.929 8.570 -13.171 1.00 32.54 H new ATOM 0 HB2 SER A 71 10.880 10.230 -12.713 1.00 15.44 H new ATOM 0 HB3 SER A 71 11.335 9.111 -11.443 1.00 15.44 H new ATOM 0 HG SER A 71 12.373 8.630 -13.450 1.00 32.53 H new TER 1199 SER A 71