USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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: P 4 GLN : amide:sc= 0.878 K(o=2.7,f=0.3) USER MOD Set 1.2: P 12 GLN : amide:sc= 1.81 K(o=2.7,f=-3.9!) USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.41) USER MOD Single : P 6 THR OG1 : rot 128:sc= 0.835 USER MOD Single : P 7 HIS : no HD1:sc= 0.0661 K(o=0.066,f=-2.6!) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0 USER MOD Single : P -1 GLY N :NH3+ -114:sc= 0.0755 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : P 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 19 THR OG1 : rot 75:sc= 1.26 USER MOD Single : P 21 GLN : amide:sc= 0.845 K(o=0.84,f=-4.9!) USER MOD Single : P 23 ASN : amide:sc= 0.597 K(o=0.6,f=-5.2!) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 29 SER OG : rot -45:sc= 1.26 USER MOD Single : P 30 THR OG1 : rot 75:sc= 1.28 USER MOD Single : P 38 THR OG1 : rot -78:sc= 1.17 USER MOD Single : P 39 ASN : amide:sc= 0.554 K(o=0.55,f=0) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0.357 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -21.711 -11.189 3.396 1.00 0.00 N ATOM 2 CA GLY P -1 -20.821 -10.287 4.162 1.00 0.00 C ATOM 3 C GLY P -1 -19.450 -10.904 4.403 1.00 0.00 C ATOM 4 O GLY P -1 -19.230 -12.087 4.129 1.00 0.00 O ATOM 0 H1 GLY P -1 -21.914 -10.769 2.466 1.00 0.00 H new ATOM 0 H2 GLY P -1 -21.244 -12.109 3.266 1.00 0.00 H new ATOM 0 H3 GLY P -1 -22.601 -11.323 3.917 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -20.705 -9.348 3.621 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -21.284 -10.049 5.119 1.00 0.00 H new ATOM 10 N SER P 0 -18.513 -10.106 4.920 1.00 0.00 N ATOM 11 CA SER P 0 -17.125 -10.501 5.225 1.00 0.00 C ATOM 12 C SER P 0 -16.561 -9.764 6.452 1.00 0.00 C ATOM 13 O SER P 0 -17.095 -8.734 6.878 1.00 0.00 O ATOM 14 CB SER P 0 -16.226 -10.269 3.998 1.00 0.00 C ATOM 15 OG SER P 0 -16.237 -8.906 3.596 1.00 0.00 O ATOM 0 H SER P 0 -18.701 -9.130 5.148 1.00 0.00 H new ATOM 0 HA SER P 0 -17.137 -11.563 5.470 1.00 0.00 H new ATOM 0 HB2 SER P 0 -15.205 -10.573 4.231 1.00 0.00 H new ATOM 0 HB3 SER P 0 -16.565 -10.896 3.173 1.00 0.00 H new ATOM 0 HG SER P 0 -15.655 -8.790 2.816 1.00 0.00 H new ATOM 21 N GLN P 1 -15.480 -10.296 7.034 1.00 0.00 N ATOM 22 CA GLN P 1 -14.814 -9.735 8.219 1.00 0.00 C ATOM 23 C GLN P 1 -13.726 -8.712 7.835 1.00 0.00 C ATOM 24 O GLN P 1 -13.078 -8.831 6.791 1.00 0.00 O ATOM 25 CB GLN P 1 -14.242 -10.863 9.100 1.00 0.00 C ATOM 26 CG GLN P 1 -15.310 -11.682 9.853 1.00 0.00 C ATOM 27 CD GLN P 1 -16.176 -12.564 8.953 1.00 0.00 C ATOM 28 OE1 GLN P 1 -17.343 -12.291 8.697 1.00 0.00 O ATOM 29 NE2 GLN P 1 -15.645 -13.648 8.424 1.00 0.00 N ATOM 0 H GLN P 1 -15.033 -11.146 6.689 1.00 0.00 H new ATOM 0 HA GLN P 1 -15.563 -9.195 8.799 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -13.659 -11.537 8.473 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -13.555 -10.428 9.826 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -14.814 -12.312 10.591 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -15.957 -10.997 10.402 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -14.675 -13.891 8.626 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -16.204 -14.244 7.813 1.00 0.00 H new ATOM 38 N ARG P 2 -13.496 -7.719 8.709 1.00 0.00 N ATOM 39 CA ARG P 2 -12.557 -6.592 8.502 1.00 0.00 C ATOM 40 C ARG P 2 -11.116 -6.838 8.991 1.00 0.00 C ATOM 41 O ARG P 2 -10.314 -5.903 9.030 1.00 0.00 O ATOM 42 CB ARG P 2 -13.176 -5.296 9.069 1.00 0.00 C ATOM 43 CG ARG P 2 -13.305 -5.280 10.604 1.00 0.00 C ATOM 44 CD ARG P 2 -13.924 -3.961 11.080 1.00 0.00 C ATOM 45 NE ARG P 2 -14.061 -3.929 12.551 1.00 0.00 N ATOM 46 CZ ARG P 2 -14.565 -2.942 13.274 1.00 0.00 C ATOM 47 NH1 ARG P 2 -15.012 -1.843 12.732 1.00 0.00 N ATOM 48 NH2 ARG P 2 -14.629 -3.041 14.571 1.00 0.00 N ATOM 0 H ARG P 2 -13.971 -7.672 9.610 1.00 0.00 H new ATOM 0 HA ARG P 2 -12.426 -6.486 7.425 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -12.566 -4.448 8.758 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -14.164 -5.156 8.631 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -13.922 -6.117 10.931 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -12.323 -5.412 11.058 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -13.303 -3.127 10.753 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -14.903 -3.830 10.619 1.00 0.00 H new ATOM 0 HE ARG P 2 -13.734 -4.750 13.060 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -14.980 -1.724 11.719 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -15.394 -1.103 13.321 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -14.289 -3.883 15.036 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -15.019 -2.276 15.122 1.00 0.00 H new ATOM 62 N ARG P 3 -10.789 -8.075 9.385 1.00 0.00 N ATOM 63 CA ARG P 3 -9.525 -8.480 10.033 1.00 0.00 C ATOM 64 C ARG P 3 -8.884 -9.692 9.340 1.00 0.00 C ATOM 65 O ARG P 3 -9.588 -10.596 8.889 1.00 0.00 O ATOM 66 CB ARG P 3 -9.817 -8.741 11.525 1.00 0.00 C ATOM 67 CG ARG P 3 -8.566 -9.064 12.361 1.00 0.00 C ATOM 68 CD ARG P 3 -8.878 -9.184 13.859 1.00 0.00 C ATOM 69 NE ARG P 3 -9.725 -10.358 14.161 1.00 0.00 N ATOM 70 CZ ARG P 3 -10.230 -10.682 15.338 1.00 0.00 C ATOM 71 NH1 ARG P 3 -10.020 -9.964 16.406 1.00 0.00 N ATOM 72 NH2 ARG P 3 -10.965 -11.749 15.468 1.00 0.00 N ATOM 0 H ARG P 3 -11.425 -8.862 9.257 1.00 0.00 H new ATOM 0 HA ARG P 3 -8.790 -7.680 9.942 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -10.307 -7.864 11.947 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -10.520 -9.570 11.607 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -8.128 -9.997 12.008 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -7.820 -8.284 12.209 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -7.945 -9.258 14.418 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -9.381 -8.278 14.197 1.00 0.00 H new ATOM 0 HE ARG P 3 -9.941 -10.980 13.382 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -9.449 -9.121 16.349 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -10.427 -10.246 17.298 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -11.154 -12.340 14.658 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -11.352 -11.994 16.379 1.00 0.00 H new ATOM 86 N GLN P 4 -7.550 -9.718 9.303 1.00 0.00 N ATOM 87 CA GLN P 4 -6.725 -10.853 8.857 1.00 0.00 C ATOM 88 C GLN P 4 -5.982 -11.500 10.042 1.00 0.00 C ATOM 89 O GLN P 4 -5.757 -10.859 11.072 1.00 0.00 O ATOM 90 CB GLN P 4 -5.722 -10.390 7.782 1.00 0.00 C ATOM 91 CG GLN P 4 -6.391 -9.837 6.514 1.00 0.00 C ATOM 92 CD GLN P 4 -5.371 -9.565 5.408 1.00 0.00 C ATOM 93 OE1 GLN P 4 -5.278 -10.286 4.424 1.00 0.00 O ATOM 94 NE2 GLN P 4 -4.567 -8.528 5.520 1.00 0.00 N ATOM 0 H GLN P 4 -6.988 -8.918 9.594 1.00 0.00 H new ATOM 0 HA GLN P 4 -7.386 -11.605 8.425 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -5.076 -9.621 8.207 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -5.082 -11.229 7.509 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -7.135 -10.548 6.156 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -6.921 -8.915 6.755 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -4.632 -7.918 6.335 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -3.879 -8.335 4.792 1.00 0.00 H new ATOM 103 N ARG P 5 -5.537 -12.756 9.881 1.00 0.00 N ATOM 104 CA ARG P 5 -4.699 -13.480 10.866 1.00 0.00 C ATOM 105 C ARG P 5 -3.223 -13.028 10.879 1.00 0.00 C ATOM 106 O ARG P 5 -2.431 -13.521 11.684 1.00 0.00 O ATOM 107 CB ARG P 5 -4.838 -15.005 10.643 1.00 0.00 C ATOM 108 CG ARG P 5 -5.399 -15.778 11.853 1.00 0.00 C ATOM 109 CD ARG P 5 -4.586 -15.650 13.153 1.00 0.00 C ATOM 110 NE ARG P 5 -3.162 -15.991 12.962 1.00 0.00 N ATOM 111 CZ ARG P 5 -2.580 -17.168 13.101 1.00 0.00 C ATOM 112 NH1 ARG P 5 -3.238 -18.238 13.449 1.00 0.00 N ATOM 113 NH2 ARG P 5 -1.302 -17.292 12.883 1.00 0.00 N ATOM 0 H ARG P 5 -5.749 -13.311 9.052 1.00 0.00 H new ATOM 0 HA ARG P 5 -5.072 -13.227 11.858 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -5.488 -15.176 9.785 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -3.860 -15.413 10.389 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -6.415 -15.432 12.044 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -5.466 -16.833 11.589 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -4.665 -14.630 13.529 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -5.015 -16.304 13.912 1.00 0.00 H new ATOM 0 HE ARG P 5 -2.552 -15.221 12.688 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -4.241 -18.185 13.625 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -2.750 -19.128 13.545 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -0.751 -16.480 12.605 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -0.852 -18.201 12.990 1.00 0.00 H new ATOM 127 N THR P 6 -2.854 -12.108 9.989 1.00 0.00 N ATOM 128 CA THR P 6 -1.498 -11.573 9.761 1.00 0.00 C ATOM 129 C THR P 6 -1.526 -10.055 9.528 1.00 0.00 C ATOM 130 O THR P 6 -2.584 -9.454 9.320 1.00 0.00 O ATOM 131 CB THR P 6 -0.840 -12.256 8.546 1.00 0.00 C ATOM 132 OG1 THR P 6 -1.686 -12.167 7.419 1.00 0.00 O ATOM 133 CG2 THR P 6 -0.544 -13.737 8.786 1.00 0.00 C ATOM 0 H THR P 6 -3.536 -11.683 9.361 1.00 0.00 H new ATOM 0 HA THR P 6 -0.915 -11.781 10.658 1.00 0.00 H new ATOM 0 HB THR P 6 0.102 -11.733 8.380 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.186 -11.794 6.663 1.00 0.00 H new ATOM 0 HG21 THR P 6 -0.081 -14.164 7.896 1.00 0.00 H new ATOM 0 HG22 THR P 6 0.135 -13.840 9.633 1.00 0.00 H new ATOM 0 HG23 THR P 6 -1.474 -14.264 9.000 1.00 0.00 H new ATOM 141 N HIS P 7 -0.352 -9.416 9.546 1.00 0.00 N ATOM 142 CA HIS P 7 -0.170 -7.998 9.203 1.00 0.00 C ATOM 143 C HIS P 7 -0.324 -7.709 7.697 1.00 0.00 C ATOM 144 O HIS P 7 -0.884 -6.672 7.334 1.00 0.00 O ATOM 145 CB HIS P 7 1.182 -7.504 9.752 1.00 0.00 C ATOM 146 CG HIS P 7 2.419 -8.278 9.337 1.00 0.00 C ATOM 147 ND1 HIS P 7 2.460 -9.552 8.754 1.00 0.00 N ATOM 148 CD2 HIS P 7 3.701 -7.853 9.537 1.00 0.00 C ATOM 149 CE1 HIS P 7 3.761 -9.855 8.607 1.00 0.00 C ATOM 150 NE2 HIS P 7 4.527 -8.851 9.068 1.00 0.00 N ATOM 0 H HIS P 7 0.519 -9.879 9.805 1.00 0.00 H new ATOM 0 HA HIS P 7 -0.974 -7.437 9.679 1.00 0.00 H new ATOM 0 HB2 HIS P 7 1.313 -6.466 9.445 1.00 0.00 H new ATOM 0 HB3 HIS P 7 1.128 -7.510 10.841 1.00 0.00 H new ATOM 0 HD2 HIS P 7 4.008 -6.916 9.978 1.00 0.00 H new ATOM 0 HE1 HIS P 7 4.137 -10.773 8.180 1.00 0.00 H new ATOM 0 HE2 HIS P 7 5.547 -8.831 9.070 1.00 0.00 H new ATOM 158 N PHE P 8 0.098 -8.642 6.837 1.00 0.00 N ATOM 159 CA PHE P 8 -0.060 -8.608 5.377 1.00 0.00 C ATOM 160 C PHE P 8 -0.331 -10.016 4.808 1.00 0.00 C ATOM 161 O PHE P 8 0.025 -11.021 5.430 1.00 0.00 O ATOM 162 CB PHE P 8 1.219 -8.067 4.708 1.00 0.00 C ATOM 163 CG PHE P 8 1.811 -6.782 5.262 1.00 0.00 C ATOM 164 CD1 PHE P 8 1.390 -5.531 4.773 1.00 0.00 C ATOM 165 CD2 PHE P 8 2.837 -6.841 6.223 1.00 0.00 C ATOM 166 CE1 PHE P 8 1.987 -4.349 5.249 1.00 0.00 C ATOM 167 CE2 PHE P 8 3.424 -5.660 6.711 1.00 0.00 C ATOM 168 CZ PHE P 8 2.998 -4.414 6.224 1.00 0.00 C ATOM 0 H PHE P 8 0.582 -9.482 7.154 1.00 0.00 H new ATOM 0 HA PHE P 8 -0.908 -7.957 5.164 1.00 0.00 H new ATOM 0 HB2 PHE P 8 1.983 -8.842 4.767 1.00 0.00 H new ATOM 0 HB3 PHE P 8 1.005 -7.910 3.651 1.00 0.00 H new ATOM 0 HD1 PHE P 8 0.607 -5.478 4.031 1.00 0.00 H new ATOM 0 HD2 PHE P 8 3.176 -7.799 6.588 1.00 0.00 H new ATOM 0 HE1 PHE P 8 1.668 -3.391 4.865 1.00 0.00 H new ATOM 0 HE2 PHE P 8 4.201 -5.711 7.459 1.00 0.00 H new ATOM 0 HZ PHE P 8 3.447 -3.506 6.598 1.00 0.00 H new ATOM 178 N THR P 9 -0.892 -10.096 3.597 1.00 0.00 N ATOM 179 CA THR P 9 -0.997 -11.338 2.801 1.00 0.00 C ATOM 180 C THR P 9 -0.334 -11.179 1.427 1.00 0.00 C ATOM 181 O THR P 9 -0.093 -10.058 0.971 1.00 0.00 O ATOM 182 CB THR P 9 -2.449 -11.842 2.710 1.00 0.00 C ATOM 183 OG1 THR P 9 -2.452 -13.166 2.217 1.00 0.00 O ATOM 184 CG2 THR P 9 -3.351 -11.015 1.795 1.00 0.00 C ATOM 0 H THR P 9 -1.296 -9.286 3.127 1.00 0.00 H new ATOM 0 HA THR P 9 -0.442 -12.115 3.327 1.00 0.00 H new ATOM 0 HB THR P 9 -2.848 -11.764 3.721 1.00 0.00 H new ATOM 0 HG1 THR P 9 -3.375 -13.491 2.159 1.00 0.00 H new ATOM 0 HG21 THR P 9 -4.354 -11.441 1.791 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.395 -9.988 2.158 1.00 0.00 H new ATOM 0 HG23 THR P 9 -2.949 -11.025 0.782 1.00 0.00 H new ATOM 192 N SER P 10 -0.031 -12.287 0.745 1.00 0.00 N ATOM 193 CA SER P 10 0.787 -12.324 -0.482 1.00 0.00 C ATOM 194 C SER P 10 0.271 -11.421 -1.608 1.00 0.00 C ATOM 195 O SER P 10 1.069 -10.797 -2.304 1.00 0.00 O ATOM 196 CB SER P 10 0.883 -13.763 -1.003 1.00 0.00 C ATOM 197 OG SER P 10 1.393 -14.624 0.006 1.00 0.00 O ATOM 0 H SER P 10 -0.354 -13.210 1.034 1.00 0.00 H new ATOM 0 HA SER P 10 1.766 -11.941 -0.195 1.00 0.00 H new ATOM 0 HB2 SER P 10 -0.101 -14.108 -1.320 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.530 -13.796 -1.879 1.00 0.00 H new ATOM 0 HG SER P 10 1.447 -15.539 -0.341 1.00 0.00 H new ATOM 203 N GLN P 11 -1.051 -11.283 -1.763 1.00 0.00 N ATOM 204 CA GLN P 11 -1.656 -10.393 -2.767 1.00 0.00 C ATOM 205 C GLN P 11 -1.422 -8.904 -2.448 1.00 0.00 C ATOM 206 O GLN P 11 -1.159 -8.112 -3.353 1.00 0.00 O ATOM 207 CB GLN P 11 -3.160 -10.692 -2.890 1.00 0.00 C ATOM 208 CG GLN P 11 -3.437 -12.101 -3.449 1.00 0.00 C ATOM 209 CD GLN P 11 -4.926 -12.405 -3.648 1.00 0.00 C ATOM 210 OE1 GLN P 11 -5.818 -11.619 -3.354 1.00 0.00 O ATOM 211 NE2 GLN P 11 -5.257 -13.573 -4.160 1.00 0.00 N ATOM 0 H GLN P 11 -1.734 -11.785 -1.196 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.167 -10.590 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -3.628 -10.595 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.623 -9.949 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -2.922 -12.211 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.012 -12.841 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -4.531 -14.243 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -6.239 -13.807 -4.304 1.00 0.00 H new ATOM 220 N GLN P 12 -1.447 -8.525 -1.164 1.00 0.00 N ATOM 221 CA GLN P 12 -1.149 -7.160 -0.709 1.00 0.00 C ATOM 222 C GLN P 12 0.343 -6.841 -0.871 1.00 0.00 C ATOM 223 O GLN P 12 0.696 -5.763 -1.343 1.00 0.00 O ATOM 224 CB GLN P 12 -1.562 -6.981 0.761 1.00 0.00 C ATOM 225 CG GLN P 12 -3.063 -7.192 1.000 1.00 0.00 C ATOM 226 CD GLN P 12 -3.423 -7.087 2.481 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.842 -7.738 3.341 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.392 -6.275 2.835 1.00 0.00 N ATOM 0 H GLN P 12 -1.677 -9.164 -0.403 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.722 -6.469 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.001 -7.684 1.377 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.286 -5.979 1.089 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.628 -6.451 0.435 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.357 -8.172 0.623 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.883 -5.728 2.128 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.654 -6.191 3.817 1.00 0.00 H new ATOM 237 N LEU P 13 1.216 -7.800 -0.538 1.00 0.00 N ATOM 238 CA LEU P 13 2.670 -7.686 -0.701 1.00 0.00 C ATOM 239 C LEU P 13 3.074 -7.579 -2.183 1.00 0.00 C ATOM 240 O LEU P 13 3.943 -6.779 -2.526 1.00 0.00 O ATOM 241 CB LEU P 13 3.345 -8.893 -0.023 1.00 0.00 C ATOM 242 CG LEU P 13 3.173 -8.955 1.510 1.00 0.00 C ATOM 243 CD1 LEU P 13 3.682 -10.295 2.042 1.00 0.00 C ATOM 244 CD2 LEU P 13 3.941 -7.840 2.219 1.00 0.00 C ATOM 0 H LEU P 13 0.926 -8.693 -0.140 1.00 0.00 H new ATOM 0 HA LEU P 13 3.007 -6.766 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.942 -9.808 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.410 -8.873 -0.254 1.00 0.00 H new ATOM 0 HG LEU P 13 2.109 -8.835 1.714 1.00 0.00 H new ATOM 0 HD11 LEU P 13 3.556 -10.328 3.124 1.00 0.00 H new ATOM 0 HD12 LEU P 13 3.115 -11.107 1.586 1.00 0.00 H new ATOM 0 HD13 LEU P 13 4.738 -10.407 1.796 1.00 0.00 H new ATOM 0 HD21 LEU P 13 3.791 -7.923 3.295 1.00 0.00 H new ATOM 0 HD22 LEU P 13 5.003 -7.929 1.993 1.00 0.00 H new ATOM 0 HD23 LEU P 13 3.577 -6.872 1.875 1.00 0.00 H new ATOM 256 N GLN P 14 2.407 -8.324 -3.071 1.00 0.00 N ATOM 257 CA GLN P 14 2.617 -8.258 -4.523 1.00 0.00 C ATOM 258 C GLN P 14 2.125 -6.929 -5.122 1.00 0.00 C ATOM 259 O GLN P 14 2.806 -6.342 -5.962 1.00 0.00 O ATOM 260 CB GLN P 14 1.935 -9.474 -5.170 1.00 0.00 C ATOM 261 CG GLN P 14 2.189 -9.578 -6.680 1.00 0.00 C ATOM 262 CD GLN P 14 1.629 -10.879 -7.253 1.00 0.00 C ATOM 263 OE1 GLN P 14 2.346 -11.831 -7.531 1.00 0.00 O ATOM 264 NE2 GLN P 14 0.328 -10.983 -7.439 1.00 0.00 N ATOM 0 H GLN P 14 1.695 -9.001 -2.798 1.00 0.00 H new ATOM 0 HA GLN P 14 3.686 -8.291 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN P 14 2.291 -10.383 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN P 14 0.861 -9.417 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN P 14 1.730 -8.729 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN P 14 3.260 -9.525 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN P 14 -0.284 -10.199 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN P 14 -0.067 -11.848 -7.809 1.00 0.00 H new ATOM 273 N GLU P 15 0.979 -6.407 -4.670 1.00 0.00 N ATOM 274 CA GLU P 15 0.475 -5.097 -5.111 1.00 0.00 C ATOM 275 C GLU P 15 1.323 -3.935 -4.559 1.00 0.00 C ATOM 276 O GLU P 15 1.531 -2.943 -5.256 1.00 0.00 O ATOM 277 CB GLU P 15 -1.008 -4.968 -4.725 1.00 0.00 C ATOM 278 CG GLU P 15 -1.721 -3.778 -5.386 1.00 0.00 C ATOM 279 CD GLU P 15 -1.799 -3.921 -6.919 1.00 0.00 C ATOM 280 OE1 GLU P 15 -2.674 -4.664 -7.422 1.00 0.00 O ATOM 281 OE2 GLU P 15 -0.987 -3.280 -7.630 1.00 0.00 O ATOM 0 H GLU P 15 0.377 -6.875 -3.993 1.00 0.00 H new ATOM 0 HA GLU P 15 0.560 -5.035 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.526 -5.887 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -1.084 -4.869 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.729 -3.690 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -1.195 -2.857 -5.135 1.00 0.00 H new ATOM 288 N LEU P 16 1.891 -4.067 -3.354 1.00 0.00 N ATOM 289 CA LEU P 16 2.878 -3.124 -2.817 1.00 0.00 C ATOM 290 C LEU P 16 4.220 -3.191 -3.560 1.00 0.00 C ATOM 291 O LEU P 16 4.808 -2.146 -3.828 1.00 0.00 O ATOM 292 CB LEU P 16 3.056 -3.351 -1.307 1.00 0.00 C ATOM 293 CG LEU P 16 2.017 -2.593 -0.461 1.00 0.00 C ATOM 294 CD1 LEU P 16 1.980 -3.160 0.957 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.356 -1.101 -0.359 1.00 0.00 C ATOM 0 H LEU P 16 1.677 -4.837 -2.720 1.00 0.00 H new ATOM 0 HA LEU P 16 2.495 -2.116 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU P 16 2.983 -4.417 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.057 -3.035 -1.013 1.00 0.00 H new ATOM 0 HG LEU P 16 1.052 -2.714 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.242 -2.617 1.547 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.710 -4.215 0.920 1.00 0.00 H new ATOM 0 HD13 LEU P 16 2.962 -3.053 1.417 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.602 -0.597 0.245 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.334 -0.981 0.107 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.374 -0.663 -1.357 1.00 0.00 H new ATOM 307 N GLU P 17 4.680 -4.372 -3.980 1.00 0.00 N ATOM 308 CA GLU P 17 5.850 -4.512 -4.862 1.00 0.00 C ATOM 309 C GLU P 17 5.614 -3.859 -6.235 1.00 0.00 C ATOM 310 O GLU P 17 6.475 -3.124 -6.723 1.00 0.00 O ATOM 311 CB GLU P 17 6.244 -5.994 -4.975 1.00 0.00 C ATOM 312 CG GLU P 17 7.364 -6.225 -5.997 1.00 0.00 C ATOM 313 CD GLU P 17 8.056 -7.581 -5.781 1.00 0.00 C ATOM 314 OE1 GLU P 17 7.534 -8.624 -6.241 1.00 0.00 O ATOM 315 OE2 GLU P 17 9.141 -7.592 -5.149 1.00 0.00 O ATOM 0 H GLU P 17 4.254 -5.261 -3.720 1.00 0.00 H new ATOM 0 HA GLU P 17 6.688 -3.974 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.566 -6.357 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.369 -6.579 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU P 17 6.952 -6.183 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU P 17 8.099 -5.424 -5.919 1.00 0.00 H new ATOM 322 N ALA P 18 4.429 -4.037 -6.828 1.00 0.00 N ATOM 323 CA ALA P 18 4.038 -3.312 -8.035 1.00 0.00 C ATOM 324 C ALA P 18 3.990 -1.790 -7.786 1.00 0.00 C ATOM 325 O ALA P 18 4.505 -1.015 -8.589 1.00 0.00 O ATOM 326 CB ALA P 18 2.697 -3.862 -8.533 1.00 0.00 C ATOM 0 H ALA P 18 3.719 -4.685 -6.485 1.00 0.00 H new ATOM 0 HA ALA P 18 4.787 -3.466 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.396 -3.327 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA P 18 2.800 -4.923 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA P 18 1.939 -3.727 -7.761 1.00 0.00 H new ATOM 332 N THR P 19 3.462 -1.352 -6.642 1.00 0.00 N ATOM 333 CA THR P 19 3.399 0.066 -6.240 1.00 0.00 C ATOM 334 C THR P 19 4.786 0.678 -6.022 1.00 0.00 C ATOM 335 O THR P 19 5.018 1.809 -6.443 1.00 0.00 O ATOM 336 CB THR P 19 2.509 0.226 -4.998 1.00 0.00 C ATOM 337 OG1 THR P 19 1.208 -0.216 -5.313 1.00 0.00 O ATOM 338 CG2 THR P 19 2.343 1.664 -4.521 1.00 0.00 C ATOM 0 H THR P 19 3.056 -1.982 -5.950 1.00 0.00 H new ATOM 0 HA THR P 19 2.951 0.622 -7.064 1.00 0.00 H new ATOM 0 HB THR P 19 3.003 -0.348 -4.214 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.193 -1.195 -5.342 1.00 0.00 H new ATOM 0 HG21 THR P 19 1.700 1.683 -3.641 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.319 2.078 -4.267 1.00 0.00 H new ATOM 0 HG23 THR P 19 1.891 2.260 -5.314 1.00 0.00 H new ATOM 346 N PHE P 20 5.744 -0.073 -5.476 1.00 0.00 N ATOM 347 CA PHE P 20 7.150 0.333 -5.373 1.00 0.00 C ATOM 348 C PHE P 20 7.794 0.509 -6.759 1.00 0.00 C ATOM 349 O PHE P 20 8.538 1.463 -6.980 1.00 0.00 O ATOM 350 CB PHE P 20 7.889 -0.708 -4.523 1.00 0.00 C ATOM 351 CG PHE P 20 9.339 -0.390 -4.208 1.00 0.00 C ATOM 352 CD1 PHE P 20 9.650 0.577 -3.232 1.00 0.00 C ATOM 353 CD2 PHE P 20 10.377 -1.091 -4.850 1.00 0.00 C ATOM 354 CE1 PHE P 20 10.991 0.842 -2.899 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.718 -0.840 -4.504 1.00 0.00 C ATOM 356 CZ PHE P 20 12.025 0.129 -3.531 1.00 0.00 C ATOM 0 H PHE P 20 5.563 -0.998 -5.085 1.00 0.00 H new ATOM 0 HA PHE P 20 7.217 1.308 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.351 -0.831 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE P 20 7.850 -1.667 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE P 20 8.856 1.117 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE P 20 10.144 -1.823 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE P 20 11.226 1.592 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE P 20 12.512 -1.392 -4.986 1.00 0.00 H new ATOM 0 HZ PHE P 20 13.054 0.325 -3.270 1.00 0.00 H new ATOM 366 N GLN P 21 7.455 -0.347 -7.731 1.00 0.00 N ATOM 367 CA GLN P 21 7.901 -0.196 -9.124 1.00 0.00 C ATOM 368 C GLN P 21 7.187 0.948 -9.876 1.00 0.00 C ATOM 369 O GLN P 21 7.777 1.524 -10.794 1.00 0.00 O ATOM 370 CB GLN P 21 7.779 -1.542 -9.858 1.00 0.00 C ATOM 371 CG GLN P 21 8.768 -2.600 -9.333 1.00 0.00 C ATOM 372 CD GLN P 21 10.226 -2.224 -9.589 1.00 0.00 C ATOM 373 OE1 GLN P 21 10.924 -1.691 -8.735 1.00 0.00 O ATOM 374 NE2 GLN P 21 10.743 -2.460 -10.776 1.00 0.00 N ATOM 0 H GLN P 21 6.864 -1.164 -7.575 1.00 0.00 H new ATOM 0 HA GLN P 21 8.950 0.098 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN P 21 6.761 -1.918 -9.751 1.00 0.00 H new ATOM 0 HB3 GLN P 21 7.951 -1.387 -10.923 1.00 0.00 H new ATOM 0 HG2 GLN P 21 8.615 -2.735 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN P 21 8.555 -3.558 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN P 21 10.177 -2.903 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN P 21 11.710 -2.200 -10.972 1.00 0.00 H new ATOM 383 N ARG P 22 5.965 1.335 -9.472 1.00 0.00 N ATOM 384 CA ARG P 22 5.278 2.555 -9.956 1.00 0.00 C ATOM 385 C ARG P 22 5.946 3.823 -9.400 1.00 0.00 C ATOM 386 O ARG P 22 6.198 4.760 -10.159 1.00 0.00 O ATOM 387 CB ARG P 22 3.778 2.530 -9.592 1.00 0.00 C ATOM 388 CG ARG P 22 2.970 1.437 -10.312 1.00 0.00 C ATOM 389 CD ARG P 22 1.562 1.298 -9.706 1.00 0.00 C ATOM 390 NE ARG P 22 0.892 0.063 -10.165 1.00 0.00 N ATOM 391 CZ ARG P 22 0.377 -0.905 -9.423 1.00 0.00 C ATOM 392 NH1 ARG P 22 0.371 -0.918 -8.124 1.00 0.00 N ATOM 393 NH2 ARG P 22 -0.181 -1.946 -9.961 1.00 0.00 N ATOM 0 H ARG P 22 5.417 0.807 -8.793 1.00 0.00 H new ATOM 0 HA ARG P 22 5.364 2.572 -11.042 1.00 0.00 H new ATOM 0 HB2 ARG P 22 3.680 2.389 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG P 22 3.343 3.501 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG P 22 2.891 1.678 -11.372 1.00 0.00 H new ATOM 0 HG3 ARG P 22 3.496 0.485 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG P 22 1.632 1.292 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG P 22 0.959 2.164 -9.982 1.00 0.00 H new ATOM 0 HE ARG P 22 0.817 -0.058 -11.175 1.00 0.00 H new ATOM 0 HH11 ARG P 22 0.784 -0.143 -7.604 1.00 0.00 H new ATOM 0 HH12 ARG P 22 -0.047 -1.703 -7.624 1.00 0.00 H new ATOM 0 HH21 ARG P 22 -0.230 -2.031 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG P 22 -0.571 -2.679 -9.369 1.00 0.00 H new ATOM 407 N ASN P 23 6.255 3.845 -8.100 1.00 0.00 N ATOM 408 CA ASN P 23 6.969 4.926 -7.411 1.00 0.00 C ATOM 409 C ASN P 23 7.692 4.408 -6.145 1.00 0.00 C ATOM 410 O ASN P 23 7.052 3.875 -5.235 1.00 0.00 O ATOM 411 CB ASN P 23 5.947 6.031 -7.062 1.00 0.00 C ATOM 412 CG ASN P 23 6.562 7.287 -6.467 1.00 0.00 C ATOM 413 OD1 ASN P 23 7.759 7.397 -6.241 1.00 0.00 O ATOM 414 ND2 ASN P 23 5.756 8.287 -6.195 1.00 0.00 N ATOM 0 H ASN P 23 6.005 3.080 -7.473 1.00 0.00 H new ATOM 0 HA ASN P 23 7.742 5.331 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN P 23 5.399 6.301 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN P 23 5.220 5.628 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN P 23 6.129 9.149 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN P 23 4.757 8.202 -6.381 1.00 0.00 H new ATOM 421 N ARG P 24 9.015 4.618 -6.047 1.00 0.00 N ATOM 422 CA ARG P 24 9.833 4.237 -4.873 1.00 0.00 C ATOM 423 C ARG P 24 9.807 5.257 -3.727 1.00 0.00 C ATOM 424 O ARG P 24 10.199 4.919 -2.609 1.00 0.00 O ATOM 425 CB ARG P 24 11.278 3.912 -5.305 1.00 0.00 C ATOM 426 CG ARG P 24 11.331 2.652 -6.177 1.00 0.00 C ATOM 427 CD ARG P 24 12.761 2.167 -6.432 1.00 0.00 C ATOM 428 NE ARG P 24 12.742 0.882 -7.158 1.00 0.00 N ATOM 429 CZ ARG P 24 13.754 0.056 -7.339 1.00 0.00 C ATOM 430 NH1 ARG P 24 14.958 0.324 -6.925 1.00 0.00 N ATOM 431 NH2 ARG P 24 13.564 -1.080 -7.940 1.00 0.00 N ATOM 0 H ARG P 24 9.558 5.062 -6.788 1.00 0.00 H new ATOM 0 HA ARG P 24 9.370 3.340 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG P 24 11.693 4.756 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG P 24 11.901 3.771 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG P 24 10.763 1.857 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG P 24 10.845 2.855 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG P 24 13.308 2.912 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG P 24 13.287 2.050 -5.485 1.00 0.00 H new ATOM 0 HE ARG P 24 11.849 0.602 -7.564 1.00 0.00 H new ATOM 0 HH11 ARG P 24 15.147 1.201 -6.440 1.00 0.00 H new ATOM 0 HH12 ARG P 24 15.713 -0.343 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG P 24 12.633 -1.332 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG P 24 14.346 -1.720 -8.081 1.00 0.00 H new ATOM 445 N TYR P 25 9.326 6.477 -3.983 1.00 0.00 N ATOM 446 CA TYR P 25 9.303 7.601 -3.037 1.00 0.00 C ATOM 447 C TYR P 25 7.942 8.350 -3.019 1.00 0.00 C ATOM 448 O TYR P 25 7.904 9.564 -3.245 1.00 0.00 O ATOM 449 CB TYR P 25 10.488 8.535 -3.353 1.00 0.00 C ATOM 450 CG TYR P 25 11.859 7.880 -3.305 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.566 7.812 -2.089 1.00 0.00 C ATOM 452 CD2 TYR P 25 12.429 7.346 -4.479 1.00 0.00 C ATOM 453 CE1 TYR P 25 13.848 7.229 -2.048 1.00 0.00 C ATOM 454 CE2 TYR P 25 13.712 6.764 -4.443 1.00 0.00 C ATOM 455 CZ TYR P 25 14.428 6.710 -3.226 1.00 0.00 C ATOM 456 OH TYR P 25 15.677 6.171 -3.182 1.00 0.00 O ATOM 0 H TYR P 25 8.926 6.720 -4.889 1.00 0.00 H new ATOM 0 HA TYR P 25 9.414 7.211 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.340 8.960 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.474 9.365 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR P 25 12.125 8.208 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR P 25 11.881 7.383 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR P 25 14.388 7.179 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR P 25 14.148 6.360 -5.345 1.00 0.00 H new ATOM 0 HH TYR P 25 15.930 5.858 -4.076 1.00 0.00 H new ATOM 466 N PRO P 26 6.805 7.665 -2.769 1.00 0.00 N ATOM 467 CA PRO P 26 5.493 8.310 -2.657 1.00 0.00 C ATOM 468 C PRO P 26 5.381 9.183 -1.398 1.00 0.00 C ATOM 469 O PRO P 26 5.973 8.877 -0.359 1.00 0.00 O ATOM 470 CB PRO P 26 4.478 7.163 -2.644 1.00 0.00 C ATOM 471 CG PRO P 26 5.255 6.011 -2.010 1.00 0.00 C ATOM 472 CD PRO P 26 6.679 6.235 -2.514 1.00 0.00 C ATOM 0 HA PRO P 26 5.317 8.995 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.591 7.417 -2.063 1.00 0.00 H new ATOM 0 HB3 PRO P 26 4.140 6.914 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO P 26 5.203 6.041 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO P 26 4.865 5.042 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.409 5.907 -1.774 1.00 0.00 H new ATOM 0 HD3 PRO P 26 6.865 5.661 -3.422 1.00 0.00 H new ATOM 480 N ASP P 27 4.578 10.246 -1.464 1.00 0.00 N ATOM 481 CA ASP P 27 4.207 11.065 -0.302 1.00 0.00 C ATOM 482 C ASP P 27 3.131 10.380 0.565 1.00 0.00 C ATOM 483 O ASP P 27 2.500 9.407 0.146 1.00 0.00 O ATOM 484 CB ASP P 27 3.757 12.460 -0.763 1.00 0.00 C ATOM 485 CG ASP P 27 2.288 12.468 -1.202 1.00 0.00 C ATOM 486 OD1 ASP P 27 1.992 12.037 -2.339 1.00 0.00 O ATOM 487 OD2 ASP P 27 1.426 12.844 -0.375 1.00 0.00 O ATOM 0 H ASP P 27 4.160 10.569 -2.336 1.00 0.00 H new ATOM 0 HA ASP P 27 5.088 11.177 0.329 1.00 0.00 H new ATOM 0 HB2 ASP P 27 3.898 13.174 0.048 1.00 0.00 H new ATOM 0 HB3 ASP P 27 4.385 12.790 -1.590 1.00 0.00 H new ATOM 492 N MET P 28 2.885 10.900 1.769 1.00 0.00 N ATOM 493 CA MET P 28 1.993 10.263 2.750 1.00 0.00 C ATOM 494 C MET P 28 0.522 10.186 2.303 1.00 0.00 C ATOM 495 O MET P 28 -0.173 9.242 2.684 1.00 0.00 O ATOM 496 CB MET P 28 2.124 10.965 4.113 1.00 0.00 C ATOM 497 CG MET P 28 3.570 10.974 4.634 1.00 0.00 C ATOM 498 SD MET P 28 4.340 9.335 4.792 1.00 0.00 S ATOM 499 CE MET P 28 6.031 9.735 4.273 1.00 0.00 C ATOM 0 H MET P 28 3.297 11.774 2.095 1.00 0.00 H new ATOM 0 HA MET P 28 2.319 9.227 2.838 1.00 0.00 H new ATOM 0 HB2 MET P 28 1.766 11.991 4.025 1.00 0.00 H new ATOM 0 HB3 MET P 28 1.483 10.465 4.839 1.00 0.00 H new ATOM 0 HG2 MET P 28 4.178 11.581 3.964 1.00 0.00 H new ATOM 0 HG3 MET P 28 3.586 11.462 5.609 1.00 0.00 H new ATOM 0 HE1 MET P 28 6.646 8.836 4.311 1.00 0.00 H new ATOM 0 HE2 MET P 28 6.017 10.122 3.254 1.00 0.00 H new ATOM 0 HE3 MET P 28 6.448 10.488 4.942 1.00 0.00 H new ATOM 509 N SER P 29 0.041 11.106 1.455 1.00 0.00 N ATOM 510 CA SER P 29 -1.314 11.028 0.882 1.00 0.00 C ATOM 511 C SER P 29 -1.409 9.991 -0.247 1.00 0.00 C ATOM 512 O SER P 29 -2.396 9.259 -0.322 1.00 0.00 O ATOM 513 CB SER P 29 -1.818 12.409 0.438 1.00 0.00 C ATOM 514 OG SER P 29 -1.186 12.883 -0.736 1.00 0.00 O ATOM 0 H SER P 29 0.574 11.920 1.148 1.00 0.00 H new ATOM 0 HA SER P 29 -1.976 10.682 1.676 1.00 0.00 H new ATOM 0 HB2 SER P 29 -2.894 12.359 0.269 1.00 0.00 H new ATOM 0 HB3 SER P 29 -1.655 13.124 1.244 1.00 0.00 H new ATOM 0 HG SER P 29 -0.219 12.740 -0.667 1.00 0.00 H new ATOM 520 N THR P 30 -0.353 9.831 -1.056 1.00 0.00 N ATOM 521 CA THR P 30 -0.241 8.732 -2.033 1.00 0.00 C ATOM 522 C THR P 30 -0.173 7.378 -1.320 1.00 0.00 C ATOM 523 O THR P 30 -0.883 6.450 -1.711 1.00 0.00 O ATOM 524 CB THR P 30 0.970 8.928 -2.964 1.00 0.00 C ATOM 525 OG1 THR P 30 0.809 10.099 -3.734 1.00 0.00 O ATOM 526 CG2 THR P 30 1.152 7.787 -3.970 1.00 0.00 C ATOM 0 H THR P 30 0.450 10.459 -1.054 1.00 0.00 H new ATOM 0 HA THR P 30 -1.137 8.746 -2.654 1.00 0.00 H new ATOM 0 HB THR P 30 1.835 8.974 -2.302 1.00 0.00 H new ATOM 0 HG1 THR P 30 0.972 10.885 -3.172 1.00 0.00 H new ATOM 0 HG21 THR P 30 2.022 7.988 -4.595 1.00 0.00 H new ATOM 0 HG22 THR P 30 1.299 6.849 -3.434 1.00 0.00 H new ATOM 0 HG23 THR P 30 0.264 7.711 -4.598 1.00 0.00 H new ATOM 534 N ARG P 31 0.603 7.268 -0.230 1.00 0.00 N ATOM 535 CA ARG P 31 0.665 6.058 0.614 1.00 0.00 C ATOM 536 C ARG P 31 -0.695 5.710 1.227 1.00 0.00 C ATOM 537 O ARG P 31 -1.056 4.539 1.264 1.00 0.00 O ATOM 538 CB ARG P 31 1.727 6.205 1.720 1.00 0.00 C ATOM 539 CG ARG P 31 3.155 6.220 1.156 1.00 0.00 C ATOM 540 CD ARG P 31 4.196 6.411 2.264 1.00 0.00 C ATOM 541 NE ARG P 31 5.438 6.988 1.716 1.00 0.00 N ATOM 542 CZ ARG P 31 6.685 6.788 2.089 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.015 5.981 3.056 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.628 7.434 1.473 1.00 0.00 N ATOM 0 H ARG P 31 1.210 8.020 0.095 1.00 0.00 H new ATOM 0 HA ARG P 31 0.953 5.235 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.547 7.127 2.273 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.627 5.383 2.429 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.349 5.285 0.630 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.250 7.022 0.424 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.795 7.066 3.038 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.412 5.453 2.737 1.00 0.00 H new ATOM 0 HE ARG P 31 5.313 7.634 0.937 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.292 5.469 3.562 1.00 0.00 H new ATOM 0 HH12 ARG P 31 7.996 5.860 3.307 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.395 8.079 0.718 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.602 7.296 1.744 1.00 0.00 H new ATOM 558 N GLU P 32 -1.473 6.700 1.662 1.00 0.00 N ATOM 559 CA GLU P 32 -2.820 6.478 2.203 1.00 0.00 C ATOM 560 C GLU P 32 -3.836 6.043 1.128 1.00 0.00 C ATOM 561 O GLU P 32 -4.657 5.163 1.388 1.00 0.00 O ATOM 562 CB GLU P 32 -3.277 7.741 2.953 1.00 0.00 C ATOM 563 CG GLU P 32 -4.628 7.566 3.662 1.00 0.00 C ATOM 564 CD GLU P 32 -5.009 8.829 4.459 1.00 0.00 C ATOM 565 OE1 GLU P 32 -5.394 9.851 3.840 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.949 8.806 5.712 1.00 0.00 O ATOM 0 H GLU P 32 -1.190 7.680 1.651 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.773 5.643 2.902 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.520 8.013 3.689 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.348 8.569 2.248 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -5.402 7.350 2.926 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -4.580 6.709 4.334 1.00 0.00 H new ATOM 573 N GLU P 33 -3.762 6.582 -0.095 1.00 0.00 N ATOM 574 CA GLU P 33 -4.604 6.116 -1.207 1.00 0.00 C ATOM 575 C GLU P 33 -4.286 4.663 -1.590 1.00 0.00 C ATOM 576 O GLU P 33 -5.195 3.835 -1.659 1.00 0.00 O ATOM 577 CB GLU P 33 -4.465 7.033 -2.434 1.00 0.00 C ATOM 578 CG GLU P 33 -5.163 8.391 -2.271 1.00 0.00 C ATOM 579 CD GLU P 33 -6.699 8.259 -2.270 1.00 0.00 C ATOM 580 OE1 GLU P 33 -7.306 8.168 -3.365 1.00 0.00 O ATOM 581 OE2 GLU P 33 -7.316 8.267 -1.177 1.00 0.00 O ATOM 0 H GLU P 33 -3.128 7.342 -0.341 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.637 6.155 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.407 7.200 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -4.878 6.524 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -4.839 8.855 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.857 9.054 -3.080 1.00 0.00 H new ATOM 588 N ILE P 34 -3.007 4.300 -1.757 1.00 0.00 N ATOM 589 CA ILE P 34 -2.647 2.905 -2.065 1.00 0.00 C ATOM 590 C ILE P 34 -2.911 1.958 -0.881 1.00 0.00 C ATOM 591 O ILE P 34 -3.158 0.771 -1.099 1.00 0.00 O ATOM 592 CB ILE P 34 -1.233 2.772 -2.678 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.061 3.090 -1.734 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.093 3.666 -3.922 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.315 1.938 -0.803 1.00 0.00 C ATOM 0 H ILE P 34 -2.215 4.939 -1.686 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.322 2.572 -2.854 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.159 1.712 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.810 3.361 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.318 3.961 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.091 3.557 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -1.830 3.369 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.259 4.706 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE P 34 1.149 2.240 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.541 1.681 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.605 1.071 -1.396 1.00 0.00 H new ATOM 607 N ALA P 35 -2.954 2.464 0.360 1.00 0.00 N ATOM 608 CA ALA P 35 -3.356 1.693 1.539 1.00 0.00 C ATOM 609 C ALA P 35 -4.829 1.257 1.461 1.00 0.00 C ATOM 610 O ALA P 35 -5.119 0.073 1.615 1.00 0.00 O ATOM 611 CB ALA P 35 -3.075 2.489 2.822 1.00 0.00 C ATOM 0 H ALA P 35 -2.707 3.431 0.573 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.757 0.782 1.563 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.379 1.902 3.688 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -2.009 2.708 2.888 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.637 3.423 2.801 1.00 0.00 H new ATOM 617 N VAL P 36 -5.768 2.158 1.148 1.00 0.00 N ATOM 618 CA VAL P 36 -7.189 1.783 0.991 1.00 0.00 C ATOM 619 C VAL P 36 -7.432 0.905 -0.245 1.00 0.00 C ATOM 620 O VAL P 36 -8.305 0.036 -0.205 1.00 0.00 O ATOM 621 CB VAL P 36 -8.153 2.986 1.037 1.00 0.00 C ATOM 622 CG1 VAL P 36 -8.078 3.703 2.388 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.925 4.036 -0.050 1.00 0.00 C ATOM 0 H VAL P 36 -5.577 3.149 0.998 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.422 1.178 1.867 1.00 0.00 H new ATOM 0 HB VAL P 36 -9.133 2.539 0.869 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -8.768 4.547 2.391 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -8.349 3.009 3.184 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -7.063 4.064 2.552 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.650 4.842 0.065 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -6.917 4.440 0.040 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -8.045 3.576 -1.031 1.00 0.00 H new ATOM 633 N TRP P 37 -6.626 1.041 -1.305 1.00 0.00 N ATOM 634 CA TRP P 37 -6.688 0.175 -2.498 1.00 0.00 C ATOM 635 C TRP P 37 -6.150 -1.246 -2.239 1.00 0.00 C ATOM 636 O TRP P 37 -6.626 -2.204 -2.855 1.00 0.00 O ATOM 637 CB TRP P 37 -5.938 0.838 -3.666 1.00 0.00 C ATOM 638 CG TRP P 37 -6.368 2.214 -4.089 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.485 2.858 -3.682 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.672 3.160 -4.962 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.503 4.144 -4.180 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.415 4.381 -4.993 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.483 3.113 -5.723 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -5.994 5.498 -5.731 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.054 4.229 -6.470 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.804 5.420 -6.473 1.00 0.00 C ATOM 0 H TRP P 37 -5.905 1.760 -1.363 1.00 0.00 H new ATOM 0 HA TRP P 37 -7.740 0.060 -2.758 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -4.882 0.885 -3.401 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.021 0.181 -4.532 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.253 2.427 -3.057 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.228 4.831 -3.973 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -3.893 2.208 -5.733 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.578 6.407 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.142 4.170 -7.045 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.465 6.272 -7.044 1.00 0.00 H new ATOM 657 N THR P 38 -5.203 -1.406 -1.305 1.00 0.00 N ATOM 658 CA THR P 38 -4.679 -2.710 -0.833 1.00 0.00 C ATOM 659 C THR P 38 -5.376 -3.238 0.429 1.00 0.00 C ATOM 660 O THR P 38 -5.064 -4.336 0.891 1.00 0.00 O ATOM 661 CB THR P 38 -3.153 -2.674 -0.615 1.00 0.00 C ATOM 662 OG1 THR P 38 -2.776 -1.621 0.238 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.388 -2.508 -1.927 1.00 0.00 C ATOM 0 H THR P 38 -4.763 -0.613 -0.839 1.00 0.00 H new ATOM 0 HA THR P 38 -4.907 -3.408 -1.638 1.00 0.00 H new ATOM 0 HB THR P 38 -2.899 -3.633 -0.162 1.00 0.00 H new ATOM 0 HG1 THR P 38 -2.782 -0.778 -0.261 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.317 -2.488 -1.724 1.00 0.00 H new ATOM 0 HG22 THR P 38 -2.616 -3.343 -2.589 1.00 0.00 H new ATOM 0 HG23 THR P 38 -2.684 -1.574 -2.405 1.00 0.00 H new ATOM 671 N ASN P 39 -6.342 -2.497 0.982 1.00 0.00 N ATOM 672 CA ASN P 39 -7.021 -2.763 2.257 1.00 0.00 C ATOM 673 C ASN P 39 -6.043 -2.927 3.448 1.00 0.00 C ATOM 674 O ASN P 39 -6.080 -3.906 4.200 1.00 0.00 O ATOM 675 CB ASN P 39 -8.038 -3.910 2.069 1.00 0.00 C ATOM 676 CG ASN P 39 -9.156 -3.898 3.102 1.00 0.00 C ATOM 677 OD1 ASN P 39 -10.297 -3.564 2.815 1.00 0.00 O ATOM 678 ND2 ASN P 39 -8.876 -4.253 4.335 1.00 0.00 N ATOM 0 H ASN P 39 -6.690 -1.652 0.530 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.594 -1.883 2.549 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -8.473 -3.841 1.072 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -7.513 -4.864 2.122 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -9.608 -4.249 5.046 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -7.927 -4.533 4.582 1.00 0.00 H new ATOM 685 N LEU P 40 -5.152 -1.947 3.600 1.00 0.00 N ATOM 686 CA LEU P 40 -4.186 -1.777 4.689 1.00 0.00 C ATOM 687 C LEU P 40 -4.350 -0.398 5.352 1.00 0.00 C ATOM 688 O LEU P 40 -5.092 0.461 4.865 1.00 0.00 O ATOM 689 CB LEU P 40 -2.763 -1.929 4.111 1.00 0.00 C ATOM 690 CG LEU P 40 -2.408 -3.337 3.608 1.00 0.00 C ATOM 691 CD1 LEU P 40 -1.042 -3.289 2.931 1.00 0.00 C ATOM 692 CD2 LEU P 40 -2.338 -4.344 4.760 1.00 0.00 C ATOM 0 H LEU P 40 -5.080 -1.195 2.915 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.360 -2.535 5.453 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.646 -1.226 3.286 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.044 -1.643 4.878 1.00 0.00 H new ATOM 0 HG LEU P 40 -3.185 -3.655 2.913 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -0.780 -4.283 2.570 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.076 -2.595 2.091 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -0.292 -2.954 3.648 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -2.085 -5.329 4.367 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.575 -4.030 5.472 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -3.305 -4.391 5.262 1.00 0.00 H new ATOM 704 N THR P 41 -3.635 -0.168 6.456 1.00 0.00 N ATOM 705 CA THR P 41 -3.491 1.166 7.064 1.00 0.00 C ATOM 706 C THR P 41 -2.296 1.898 6.453 1.00 0.00 C ATOM 707 O THR P 41 -1.324 1.278 6.011 1.00 0.00 O ATOM 708 CB THR P 41 -3.347 1.106 8.594 1.00 0.00 C ATOM 709 OG1 THR P 41 -2.134 0.487 8.957 1.00 0.00 O ATOM 710 CG2 THR P 41 -4.484 0.337 9.267 1.00 0.00 C ATOM 0 H THR P 41 -3.136 -0.902 6.959 1.00 0.00 H new ATOM 0 HA THR P 41 -4.408 1.715 6.849 1.00 0.00 H new ATOM 0 HB THR P 41 -3.374 2.141 8.934 1.00 0.00 H new ATOM 0 HG1 THR P 41 -2.060 0.460 9.934 1.00 0.00 H new ATOM 0 HG21 THR P 41 -4.329 0.328 10.346 1.00 0.00 H new ATOM 0 HG22 THR P 41 -5.434 0.821 9.041 1.00 0.00 H new ATOM 0 HG23 THR P 41 -4.501 -0.687 8.894 1.00 0.00 H new ATOM 718 N GLU P 42 -2.317 3.233 6.463 1.00 0.00 N ATOM 719 CA GLU P 42 -1.157 4.033 6.033 1.00 0.00 C ATOM 720 C GLU P 42 0.083 3.808 6.917 1.00 0.00 C ATOM 721 O GLU P 42 1.209 3.952 6.441 1.00 0.00 O ATOM 722 CB GLU P 42 -1.543 5.516 5.907 1.00 0.00 C ATOM 723 CG GLU P 42 -2.010 6.215 7.197 1.00 0.00 C ATOM 724 CD GLU P 42 -0.861 6.952 7.906 1.00 0.00 C ATOM 725 OE1 GLU P 42 -0.480 8.062 7.470 1.00 0.00 O ATOM 726 OE2 GLU P 42 -0.297 6.423 8.890 1.00 0.00 O ATOM 0 H GLU P 42 -3.120 3.786 6.763 1.00 0.00 H new ATOM 0 HA GLU P 42 -0.863 3.685 5.043 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -0.684 6.060 5.516 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -2.338 5.600 5.166 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -2.802 6.925 6.958 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.438 5.476 7.874 1.00 0.00 H new ATOM 733 N ALA P 43 -0.107 3.359 8.163 1.00 0.00 N ATOM 734 CA ALA P 43 0.977 2.984 9.065 1.00 0.00 C ATOM 735 C ALA P 43 1.646 1.661 8.648 1.00 0.00 C ATOM 736 O ALA P 43 2.874 1.604 8.555 1.00 0.00 O ATOM 737 CB ALA P 43 0.432 2.932 10.497 1.00 0.00 C ATOM 0 H ALA P 43 -1.033 3.246 8.575 1.00 0.00 H new ATOM 0 HA ALA P 43 1.763 3.737 9.012 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.233 2.653 11.181 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.043 3.912 10.774 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.368 2.194 10.555 1.00 0.00 H new ATOM 743 N ARG P 44 0.866 0.616 8.314 1.00 0.00 N ATOM 744 CA ARG P 44 1.404 -0.646 7.764 1.00 0.00 C ATOM 745 C ARG P 44 2.125 -0.416 6.439 1.00 0.00 C ATOM 746 O ARG P 44 3.211 -0.952 6.236 1.00 0.00 O ATOM 747 CB ARG P 44 0.293 -1.692 7.591 1.00 0.00 C ATOM 748 CG ARG P 44 -0.138 -2.293 8.935 1.00 0.00 C ATOM 749 CD ARG P 44 -1.171 -3.399 8.695 1.00 0.00 C ATOM 750 NE ARG P 44 -1.827 -3.814 9.950 1.00 0.00 N ATOM 751 CZ ARG P 44 -2.649 -4.836 10.110 1.00 0.00 C ATOM 752 NH1 ARG P 44 -2.876 -5.705 9.167 1.00 0.00 N ATOM 753 NH2 ARG P 44 -3.265 -5.011 11.244 1.00 0.00 N ATOM 0 H ARG P 44 -0.149 0.620 8.416 1.00 0.00 H new ATOM 0 HA ARG P 44 2.130 -1.028 8.482 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.568 -1.231 7.106 1.00 0.00 H new ATOM 0 HB3 ARG P 44 0.642 -2.487 6.932 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.728 -2.698 9.459 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.562 -1.517 9.573 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -1.924 -3.047 7.990 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -0.683 -4.260 8.237 1.00 0.00 H new ATOM 0 HE ARG P 44 -1.625 -3.255 10.779 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -2.411 -5.611 8.264 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -3.518 -6.480 9.332 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -3.114 -4.358 12.013 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -3.899 -5.801 11.363 1.00 0.00 H new ATOM 767 N VAL P 45 1.577 0.440 5.575 1.00 0.00 N ATOM 768 CA VAL P 45 2.226 0.849 4.318 1.00 0.00 C ATOM 769 C VAL P 45 3.546 1.582 4.573 1.00 0.00 C ATOM 770 O VAL P 45 4.546 1.253 3.938 1.00 0.00 O ATOM 771 CB VAL P 45 1.252 1.681 3.466 1.00 0.00 C ATOM 772 CG1 VAL P 45 1.927 2.394 2.291 1.00 0.00 C ATOM 773 CG2 VAL P 45 0.163 0.758 2.906 1.00 0.00 C ATOM 0 H VAL P 45 0.666 0.874 5.724 1.00 0.00 H new ATOM 0 HA VAL P 45 2.482 -0.048 3.754 1.00 0.00 H new ATOM 0 HB VAL P 45 0.840 2.448 4.122 1.00 0.00 H new ATOM 0 HG11 VAL P 45 1.182 2.962 1.733 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.692 3.072 2.668 1.00 0.00 H new ATOM 0 HG13 VAL P 45 2.388 1.656 1.634 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.532 1.340 2.301 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.622 -0.014 2.289 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.377 0.291 3.730 1.00 0.00 H new ATOM 783 N ARG P 46 3.605 2.521 5.527 1.00 0.00 N ATOM 784 CA ARG P 46 4.849 3.228 5.882 1.00 0.00 C ATOM 785 C ARG P 46 5.919 2.276 6.424 1.00 0.00 C ATOM 786 O ARG P 46 7.074 2.368 6.008 1.00 0.00 O ATOM 787 CB ARG P 46 4.510 4.360 6.863 1.00 0.00 C ATOM 788 CG ARG P 46 5.703 5.288 7.150 1.00 0.00 C ATOM 789 CD ARG P 46 5.322 6.425 8.108 1.00 0.00 C ATOM 790 NE ARG P 46 4.313 7.329 7.517 1.00 0.00 N ATOM 791 CZ ARG P 46 3.019 7.378 7.789 1.00 0.00 C ATOM 792 NH1 ARG P 46 2.462 6.650 8.711 1.00 0.00 N ATOM 793 NH2 ARG P 46 2.248 8.173 7.111 1.00 0.00 N ATOM 0 H ARG P 46 2.796 2.813 6.075 1.00 0.00 H new ATOM 0 HA ARG P 46 5.286 3.663 4.983 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.688 4.950 6.458 1.00 0.00 H new ATOM 0 HB3 ARG P 46 4.160 3.928 7.800 1.00 0.00 H new ATOM 0 HG2 ARG P 46 6.519 4.708 7.580 1.00 0.00 H new ATOM 0 HG3 ARG P 46 6.070 5.709 6.214 1.00 0.00 H new ATOM 0 HD2 ARG P 46 4.933 6.004 9.035 1.00 0.00 H new ATOM 0 HD3 ARG P 46 6.214 6.996 8.367 1.00 0.00 H new ATOM 0 HE ARG P 46 4.653 7.991 6.820 1.00 0.00 H new ATOM 0 HH11 ARG P 46 3.028 6.005 9.262 1.00 0.00 H new ATOM 0 HH12 ARG P 46 1.459 6.724 8.883 1.00 0.00 H new ATOM 0 HH21 ARG P 46 2.640 8.756 6.372 1.00 0.00 H new ATOM 0 HH22 ARG P 46 1.250 8.214 7.317 1.00 0.00 H new ATOM 807 N VAL P 47 5.538 1.319 7.274 1.00 0.00 N ATOM 808 CA VAL P 47 6.435 0.257 7.768 1.00 0.00 C ATOM 809 C VAL P 47 6.912 -0.643 6.622 1.00 0.00 C ATOM 810 O VAL P 47 8.101 -0.966 6.560 1.00 0.00 O ATOM 811 CB VAL P 47 5.752 -0.551 8.893 1.00 0.00 C ATOM 812 CG1 VAL P 47 6.545 -1.799 9.308 1.00 0.00 C ATOM 813 CG2 VAL P 47 5.594 0.315 10.150 1.00 0.00 C ATOM 0 H VAL P 47 4.590 1.254 7.645 1.00 0.00 H new ATOM 0 HA VAL P 47 7.323 0.726 8.193 1.00 0.00 H new ATOM 0 HB VAL P 47 4.789 -0.860 8.487 1.00 0.00 H new ATOM 0 HG11 VAL P 47 6.011 -2.322 10.102 1.00 0.00 H new ATOM 0 HG12 VAL P 47 6.658 -2.461 8.449 1.00 0.00 H new ATOM 0 HG13 VAL P 47 7.530 -1.501 9.668 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.111 -0.267 10.935 1.00 0.00 H new ATOM 0 HG22 VAL P 47 6.576 0.642 10.493 1.00 0.00 H new ATOM 0 HG23 VAL P 47 4.983 1.187 9.917 1.00 0.00 H new ATOM 823 N TRP P 48 6.037 -0.998 5.675 1.00 0.00 N ATOM 824 CA TRP P 48 6.415 -1.784 4.497 1.00 0.00 C ATOM 825 C TRP P 48 7.413 -1.036 3.604 1.00 0.00 C ATOM 826 O TRP P 48 8.449 -1.600 3.258 1.00 0.00 O ATOM 827 CB TRP P 48 5.172 -2.211 3.706 1.00 0.00 C ATOM 828 CG TRP P 48 5.475 -3.162 2.587 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.402 -4.509 2.661 1.00 0.00 C ATOM 830 CD2 TRP P 48 5.946 -2.864 1.234 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.809 -5.064 1.462 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.173 -4.097 0.551 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.213 -1.678 0.517 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.657 -4.154 -0.765 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.702 -1.720 -0.801 1.00 0.00 C ATOM 836 CH2 TRP P 48 6.932 -2.952 -1.439 1.00 0.00 C ATOM 0 H TRP P 48 5.048 -0.749 5.704 1.00 0.00 H new ATOM 0 HA TRP P 48 6.919 -2.683 4.852 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.460 -2.678 4.387 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.688 -1.324 3.298 1.00 0.00 H new ATOM 0 HD1 TRP P 48 5.075 -5.068 3.526 1.00 0.00 H new ATOM 0 HE1 TRP P 48 5.836 -6.066 1.275 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.039 -0.722 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.815 -5.105 -1.251 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 6.903 -0.799 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.320 -2.974 -2.447 1.00 0.00 H new ATOM 847 N PHE P 49 7.174 0.245 3.290 1.00 0.00 N ATOM 848 CA PHE P 49 8.098 1.061 2.489 1.00 0.00 C ATOM 849 C PHE P 49 9.453 1.264 3.189 1.00 0.00 C ATOM 850 O PHE P 49 10.492 1.175 2.532 1.00 0.00 O ATOM 851 CB PHE P 49 7.448 2.406 2.115 1.00 0.00 C ATOM 852 CG PHE P 49 6.763 2.400 0.758 1.00 0.00 C ATOM 853 CD1 PHE P 49 5.427 1.976 0.630 1.00 0.00 C ATOM 854 CD2 PHE P 49 7.473 2.808 -0.390 1.00 0.00 C ATOM 855 CE1 PHE P 49 4.807 1.950 -0.631 1.00 0.00 C ATOM 856 CE2 PHE P 49 6.850 2.789 -1.651 1.00 0.00 C ATOM 857 CZ PHE P 49 5.519 2.355 -1.774 1.00 0.00 C ATOM 0 H PHE P 49 6.335 0.745 3.584 1.00 0.00 H new ATOM 0 HA PHE P 49 8.304 0.514 1.569 1.00 0.00 H new ATOM 0 HB2 PHE P 49 6.717 2.671 2.879 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.213 3.183 2.122 1.00 0.00 H new ATOM 0 HD1 PHE P 49 4.875 1.669 1.506 1.00 0.00 H new ATOM 0 HD2 PHE P 49 8.498 3.136 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE P 49 3.783 1.619 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE P 49 7.396 3.109 -2.527 1.00 0.00 H new ATOM 0 HZ PHE P 49 5.044 2.333 -2.744 1.00 0.00 H new ATOM 867 N LYS P 50 9.470 1.453 4.517 1.00 0.00 N ATOM 868 CA LYS P 50 10.707 1.536 5.318 1.00 0.00 C ATOM 869 C LYS P 50 11.529 0.242 5.244 1.00 0.00 C ATOM 870 O LYS P 50 12.742 0.293 5.040 1.00 0.00 O ATOM 871 CB LYS P 50 10.334 1.913 6.765 1.00 0.00 C ATOM 872 CG LYS P 50 11.564 2.183 7.646 1.00 0.00 C ATOM 873 CD LYS P 50 11.138 2.627 9.054 1.00 0.00 C ATOM 874 CE LYS P 50 12.331 3.013 9.942 1.00 0.00 C ATOM 875 NZ LYS P 50 13.170 1.843 10.319 1.00 0.00 N ATOM 0 H LYS P 50 8.620 1.554 5.072 1.00 0.00 H new ATOM 0 HA LYS P 50 11.352 2.312 4.906 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.700 2.800 6.753 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.747 1.107 7.206 1.00 0.00 H new ATOM 0 HG2 LYS P 50 12.174 1.282 7.713 1.00 0.00 H new ATOM 0 HG3 LYS P 50 12.183 2.954 7.188 1.00 0.00 H new ATOM 0 HD2 LYS P 50 10.461 3.477 8.973 1.00 0.00 H new ATOM 0 HD3 LYS P 50 10.581 1.821 9.531 1.00 0.00 H new ATOM 0 HE2 LYS P 50 12.948 3.743 9.417 1.00 0.00 H new ATOM 0 HE3 LYS P 50 11.963 3.498 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 13.959 2.160 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 12.592 1.156 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 13.546 1.394 9.460 1.00 0.00 H new ATOM 889 N ASN P 51 10.869 -0.916 5.333 1.00 0.00 N ATOM 890 CA ASN P 51 11.512 -2.224 5.158 1.00 0.00 C ATOM 891 C ASN P 51 11.986 -2.438 3.710 1.00 0.00 C ATOM 892 O ASN P 51 13.128 -2.841 3.501 1.00 0.00 O ATOM 893 CB ASN P 51 10.560 -3.344 5.619 1.00 0.00 C ATOM 894 CG ASN P 51 10.601 -3.550 7.124 1.00 0.00 C ATOM 895 OD1 ASN P 51 11.349 -4.369 7.638 1.00 0.00 O ATOM 896 ND2 ASN P 51 9.824 -2.812 7.882 1.00 0.00 N ATOM 0 H ASN P 51 9.870 -0.974 5.529 1.00 0.00 H new ATOM 0 HA ASN P 51 12.405 -2.254 5.782 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.542 -3.101 5.315 1.00 0.00 H new ATOM 0 HB3 ASN P 51 10.828 -4.275 5.119 1.00 0.00 H new ATOM 0 HD21 ASN P 51 9.846 -2.923 8.896 1.00 0.00 H new ATOM 0 HD22 ASN P 51 9.198 -2.127 7.457 1.00 0.00 H new ATOM 903 N ARG P 52 11.160 -2.118 2.706 1.00 0.00 N ATOM 904 CA ARG P 52 11.489 -2.266 1.277 1.00 0.00 C ATOM 905 C ARG P 52 12.704 -1.425 0.875 1.00 0.00 C ATOM 906 O ARG P 52 13.585 -1.926 0.174 1.00 0.00 O ATOM 907 CB ARG P 52 10.247 -1.911 0.436 1.00 0.00 C ATOM 908 CG ARG P 52 10.411 -2.200 -1.064 1.00 0.00 C ATOM 909 CD ARG P 52 10.488 -3.700 -1.363 1.00 0.00 C ATOM 910 NE ARG P 52 10.654 -3.948 -2.807 1.00 0.00 N ATOM 911 CZ ARG P 52 10.308 -5.043 -3.460 1.00 0.00 C ATOM 912 NH1 ARG P 52 9.699 -6.046 -2.902 1.00 0.00 N ATOM 913 NH2 ARG P 52 10.561 -5.188 -4.724 1.00 0.00 N ATOM 0 H ARG P 52 10.225 -1.741 2.864 1.00 0.00 H new ATOM 0 HA ARG P 52 11.767 -3.303 1.087 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.392 -2.472 0.813 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.019 -0.854 0.570 1.00 0.00 H new ATOM 0 HG2 ARG P 52 9.573 -1.766 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG P 52 11.315 -1.712 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.323 -4.140 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG P 52 9.582 -4.191 -1.009 1.00 0.00 H new ATOM 0 HE ARG P 52 11.078 -3.200 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG P 52 9.464 -6.012 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG P 52 9.456 -6.867 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG P 52 11.038 -4.446 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG P 52 10.283 -6.044 -5.205 1.00 0.00 H new ATOM 927 N ARG P 53 12.802 -0.190 1.386 1.00 0.00 N ATOM 928 CA ARG P 53 13.965 0.693 1.200 1.00 0.00 C ATOM 929 C ARG P 53 15.240 0.052 1.745 1.00 0.00 C ATOM 930 O ARG P 53 16.232 0.011 1.027 1.00 0.00 O ATOM 931 CB ARG P 53 13.660 2.075 1.815 1.00 0.00 C ATOM 932 CG ARG P 53 14.690 3.174 1.487 1.00 0.00 C ATOM 933 CD ARG P 53 15.920 3.184 2.407 1.00 0.00 C ATOM 934 NE ARG P 53 16.820 4.310 2.087 1.00 0.00 N ATOM 935 CZ ARG P 53 17.937 4.632 2.715 1.00 0.00 C ATOM 936 NH1 ARG P 53 18.382 3.951 3.735 1.00 0.00 N ATOM 937 NH2 ARG P 53 18.640 5.655 2.326 1.00 0.00 N ATOM 0 H ARG P 53 12.064 0.232 1.950 1.00 0.00 H new ATOM 0 HA ARG P 53 14.150 0.842 0.136 1.00 0.00 H new ATOM 0 HB2 ARG P 53 12.679 2.402 1.469 1.00 0.00 H new ATOM 0 HB3 ARG P 53 13.597 1.968 2.898 1.00 0.00 H new ATOM 0 HG2 ARG P 53 15.023 3.048 0.457 1.00 0.00 H new ATOM 0 HG3 ARG P 53 14.199 4.145 1.546 1.00 0.00 H new ATOM 0 HD2 ARG P 53 15.599 3.256 3.446 1.00 0.00 H new ATOM 0 HD3 ARG P 53 16.461 2.243 2.305 1.00 0.00 H new ATOM 0 HE ARG P 53 16.552 4.900 1.300 1.00 0.00 H new ATOM 0 HH11 ARG P 53 17.863 3.140 4.072 1.00 0.00 H new ATOM 0 HH12 ARG P 53 19.249 4.229 4.195 1.00 0.00 H new ATOM 0 HH21 ARG P 53 18.330 6.214 1.531 1.00 0.00 H new ATOM 0 HH22 ARG P 53 19.501 5.898 2.816 1.00 0.00 H new ATOM 951 N ALA P 54 15.219 -0.504 2.958 1.00 0.00 N ATOM 952 CA ALA P 54 16.385 -1.175 3.548 1.00 0.00 C ATOM 953 C ALA P 54 16.732 -2.521 2.879 1.00 0.00 C ATOM 954 O ALA P 54 17.910 -2.863 2.764 1.00 0.00 O ATOM 955 CB ALA P 54 16.140 -1.354 5.048 1.00 0.00 C ATOM 0 H ALA P 54 14.396 -0.503 3.560 1.00 0.00 H new ATOM 0 HA ALA P 54 17.254 -0.540 3.375 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.998 -1.851 5.500 1.00 0.00 H new ATOM 0 HB2 ALA P 54 16.000 -0.378 5.513 1.00 0.00 H new ATOM 0 HB3 ALA P 54 15.247 -1.960 5.201 1.00 0.00 H new ATOM 961 N LYS P 55 15.734 -3.268 2.385 1.00 0.00 N ATOM 962 CA LYS P 55 15.925 -4.517 1.618 1.00 0.00 C ATOM 963 C LYS P 55 16.595 -4.289 0.256 1.00 0.00 C ATOM 964 O LYS P 55 17.225 -5.206 -0.265 1.00 0.00 O ATOM 965 CB LYS P 55 14.579 -5.249 1.475 1.00 0.00 C ATOM 966 CG LYS P 55 14.158 -5.915 2.796 1.00 0.00 C ATOM 967 CD LYS P 55 12.733 -6.483 2.705 1.00 0.00 C ATOM 968 CE LYS P 55 12.261 -7.095 4.033 1.00 0.00 C ATOM 969 NZ LYS P 55 12.987 -8.348 4.376 1.00 0.00 N ATOM 0 H LYS P 55 14.752 -3.020 2.507 1.00 0.00 H new ATOM 0 HA LYS P 55 16.615 -5.147 2.179 1.00 0.00 H new ATOM 0 HB2 LYS P 55 13.811 -4.542 1.161 1.00 0.00 H new ATOM 0 HB3 LYS P 55 14.656 -6.005 0.693 1.00 0.00 H new ATOM 0 HG2 LYS P 55 14.856 -6.716 3.041 1.00 0.00 H new ATOM 0 HG3 LYS P 55 14.211 -5.187 3.606 1.00 0.00 H new ATOM 0 HD2 LYS P 55 12.047 -5.690 2.409 1.00 0.00 H new ATOM 0 HD3 LYS P 55 12.697 -7.243 1.925 1.00 0.00 H new ATOM 0 HE2 LYS P 55 12.400 -6.368 4.833 1.00 0.00 H new ATOM 0 HE3 LYS P 55 11.193 -7.303 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 12.631 -8.719 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 12.834 -9.054 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 14.004 -8.148 4.461 1.00 0.00 H new ATOM 983 N TRP P 56 16.511 -3.075 -0.295 1.00 0.00 N ATOM 984 CA TRP P 56 17.287 -2.642 -1.464 1.00 0.00 C ATOM 985 C TRP P 56 18.620 -1.993 -1.043 1.00 0.00 C ATOM 986 O TRP P 56 19.689 -2.440 -1.461 1.00 0.00 O ATOM 987 CB TRP P 56 16.423 -1.710 -2.324 1.00 0.00 C ATOM 988 CG TRP P 56 17.081 -1.134 -3.544 1.00 0.00 C ATOM 989 CD1 TRP P 56 17.923 -1.785 -4.381 1.00 0.00 C ATOM 990 CD2 TRP P 56 16.950 0.216 -4.088 1.00 0.00 C ATOM 991 NE1 TRP P 56 18.333 -0.933 -5.390 1.00 0.00 N ATOM 992 CE2 TRP P 56 17.768 0.316 -5.255 1.00 0.00 C ATOM 993 CE3 TRP P 56 16.232 1.370 -3.709 1.00 0.00 C ATOM 994 CZ2 TRP P 56 17.875 1.500 -5.997 1.00 0.00 C ATOM 995 CZ3 TRP P 56 16.318 2.560 -4.458 1.00 0.00 C ATOM 996 CH2 TRP P 56 17.140 2.629 -5.597 1.00 0.00 C ATOM 0 H TRP P 56 15.890 -2.350 0.065 1.00 0.00 H new ATOM 0 HA TRP P 56 17.555 -3.510 -2.066 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.536 -2.260 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP P 56 16.081 -0.886 -1.698 1.00 0.00 H new ATOM 0 HD1 TRP P 56 18.229 -2.816 -4.276 1.00 0.00 H new ATOM 0 HE1 TRP P 56 18.973 -1.196 -6.139 1.00 0.00 H new ATOM 0 HE3 TRP P 56 15.606 1.340 -2.830 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 18.515 1.544 -6.866 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 15.748 3.426 -4.155 1.00 0.00 H new ATOM 0 HH2 TRP P 56 17.206 3.547 -6.162 1.00 0.00 H new ATOM 1007 N ARG P 57 18.572 -0.996 -0.151 1.00 0.00 N ATOM 1008 CA ARG P 57 19.720 -0.266 0.420 1.00 0.00 C ATOM 1009 C ARG P 57 20.326 -1.000 1.633 1.00 0.00 C ATOM 1010 O ARG P 57 20.411 -0.457 2.738 1.00 0.00 O ATOM 1011 CB ARG P 57 19.298 1.192 0.709 1.00 0.00 C ATOM 1012 CG ARG P 57 20.490 2.167 0.811 1.00 0.00 C ATOM 1013 CD ARG P 57 20.849 2.858 -0.515 1.00 0.00 C ATOM 1014 NE ARG P 57 21.141 1.894 -1.593 1.00 0.00 N ATOM 1015 CZ ARG P 57 20.392 1.594 -2.638 1.00 0.00 C ATOM 1016 NH1 ARG P 57 19.312 2.262 -2.935 1.00 0.00 N ATOM 1017 NH2 ARG P 57 20.718 0.597 -3.402 1.00 0.00 N ATOM 0 H ARG P 57 17.683 -0.655 0.215 1.00 0.00 H new ATOM 0 HA ARG P 57 20.533 -0.232 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG P 57 18.627 1.531 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG P 57 18.734 1.221 1.641 1.00 0.00 H new ATOM 0 HG2 ARG P 57 20.260 2.929 1.555 1.00 0.00 H new ATOM 0 HG3 ARG P 57 21.362 1.622 1.172 1.00 0.00 H new ATOM 0 HD2 ARG P 57 20.024 3.501 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG P 57 21.715 3.502 -0.363 1.00 0.00 H new ATOM 0 HE ARG P 57 22.030 1.399 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG P 57 19.021 3.046 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG P 57 18.759 2.000 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG P 57 21.551 0.047 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG P 57 20.141 0.363 -4.210 1.00 0.00 H new ATOM 1031 N LYS P 58 20.704 -2.263 1.418 1.00 0.00 N ATOM 1032 CA LYS P 58 21.254 -3.196 2.422 1.00 0.00 C ATOM 1033 C LYS P 58 22.532 -2.683 3.102 1.00 0.00 C ATOM 1034 O LYS P 58 23.268 -1.861 2.550 1.00 0.00 O ATOM 1035 CB LYS P 58 21.551 -4.558 1.764 1.00 0.00 C ATOM 1036 CG LYS P 58 20.304 -5.261 1.206 1.00 0.00 C ATOM 1037 CD LYS P 58 20.671 -6.648 0.660 1.00 0.00 C ATOM 1038 CE LYS P 58 19.433 -7.346 0.086 1.00 0.00 C ATOM 1039 NZ LYS P 58 19.755 -8.704 -0.427 1.00 0.00 N ATOM 0 H LYS P 58 20.634 -2.690 0.494 1.00 0.00 H new ATOM 0 HA LYS P 58 20.493 -3.292 3.196 1.00 0.00 H new ATOM 0 HB2 LYS P 58 22.267 -4.412 0.955 1.00 0.00 H new ATOM 0 HB3 LYS P 58 22.027 -5.209 2.497 1.00 0.00 H new ATOM 0 HG2 LYS P 58 19.553 -5.359 1.990 1.00 0.00 H new ATOM 0 HG3 LYS P 58 19.862 -4.657 0.414 1.00 0.00 H new ATOM 0 HD2 LYS P 58 21.432 -6.550 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS P 58 21.102 -7.256 1.456 1.00 0.00 H new ATOM 0 HE2 LYS P 58 18.667 -7.421 0.858 1.00 0.00 H new ATOM 0 HE3 LYS P 58 19.016 -6.742 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 18.893 -9.145 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 20.468 -8.630 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 20.130 -9.288 0.348 1.00 0.00 H new ATOM 1053 N ARG P 59 22.832 -3.232 4.286 1.00 0.00 N ATOM 1054 CA ARG P 59 24.122 -3.046 4.980 1.00 0.00 C ATOM 1055 C ARG P 59 25.263 -3.697 4.183 1.00 0.00 C ATOM 1056 O ARG P 59 25.055 -4.692 3.488 1.00 0.00 O ATOM 1057 CB ARG P 59 24.056 -3.613 6.410 1.00 0.00 C ATOM 1058 CG ARG P 59 23.068 -2.846 7.304 1.00 0.00 C ATOM 1059 CD ARG P 59 23.065 -3.417 8.727 1.00 0.00 C ATOM 1060 NE ARG P 59 22.120 -2.690 9.598 1.00 0.00 N ATOM 1061 CZ ARG P 59 21.857 -2.950 10.868 1.00 0.00 C ATOM 1062 NH1 ARG P 59 22.438 -3.925 11.512 1.00 0.00 N ATOM 1063 NH2 ARG P 59 20.996 -2.227 11.524 1.00 0.00 N ATOM 0 H ARG P 59 22.181 -3.826 4.799 1.00 0.00 H new ATOM 0 HA ARG P 59 24.324 -1.977 5.050 1.00 0.00 H new ATOM 0 HB2 ARG P 59 23.763 -4.662 6.368 1.00 0.00 H new ATOM 0 HB3 ARG P 59 25.049 -3.577 6.858 1.00 0.00 H new ATOM 0 HG2 ARG P 59 23.339 -1.791 7.331 1.00 0.00 H new ATOM 0 HG3 ARG P 59 22.065 -2.907 6.881 1.00 0.00 H new ATOM 0 HD2 ARG P 59 22.795 -4.473 8.696 1.00 0.00 H new ATOM 0 HD3 ARG P 59 24.069 -3.357 9.147 1.00 0.00 H new ATOM 0 HE ARG P 59 21.619 -1.907 9.177 1.00 0.00 H new ATOM 0 HH11 ARG P 59 23.120 -4.516 11.036 1.00 0.00 H new ATOM 0 HH12 ARG P 59 22.210 -4.096 12.491 1.00 0.00 H new ATOM 0 HH21 ARG P 59 20.519 -1.454 11.059 1.00 0.00 H new ATOM 0 HH22 ARG P 59 20.798 -2.433 12.503 1.00 0.00 H new ATOM 1077 N GLU P 60 26.465 -3.133 4.299 1.00 0.00 N ATOM 1078 CA GLU P 60 27.688 -3.565 3.590 1.00 0.00 C ATOM 1079 C GLU P 60 27.565 -3.574 2.044 1.00 0.00 C ATOM 1080 O GLU P 60 28.252 -4.330 1.353 1.00 0.00 O ATOM 1081 CB GLU P 60 28.241 -4.882 4.176 1.00 0.00 C ATOM 1082 CG GLU P 60 28.509 -4.807 5.687 1.00 0.00 C ATOM 1083 CD GLU P 60 29.166 -6.105 6.194 1.00 0.00 C ATOM 1084 OE1 GLU P 60 28.439 -7.050 6.588 1.00 0.00 O ATOM 1085 OE2 GLU P 60 30.420 -6.190 6.215 1.00 0.00 O ATOM 0 H GLU P 60 26.629 -2.333 4.910 1.00 0.00 H new ATOM 0 HA GLU P 60 28.435 -2.794 3.777 1.00 0.00 H new ATOM 0 HB2 GLU P 60 27.532 -5.686 3.979 1.00 0.00 H new ATOM 0 HB3 GLU P 60 29.167 -5.140 3.662 1.00 0.00 H new ATOM 0 HG2 GLU P 60 29.157 -3.958 5.904 1.00 0.00 H new ATOM 0 HG3 GLU P 60 27.573 -4.637 6.218 1.00 0.00 H new ATOM 1092 N GLU P 61 26.700 -2.722 1.480 1.00 0.00 N ATOM 1093 CA GLU P 61 26.564 -2.513 0.030 1.00 0.00 C ATOM 1094 C GLU P 61 27.844 -1.895 -0.577 1.00 0.00 C ATOM 1095 O GLU P 61 28.426 -0.958 -0.020 1.00 0.00 O ATOM 1096 CB GLU P 61 25.317 -1.649 -0.236 1.00 0.00 C ATOM 1097 CG GLU P 61 25.066 -1.359 -1.722 1.00 0.00 C ATOM 1098 CD GLU P 61 23.752 -0.587 -1.946 1.00 0.00 C ATOM 1099 OE1 GLU P 61 23.494 0.424 -1.252 1.00 0.00 O ATOM 1100 OE2 GLU P 61 22.960 -0.959 -2.844 1.00 0.00 O ATOM 0 H GLU P 61 26.061 -2.146 2.029 1.00 0.00 H new ATOM 0 HA GLU P 61 26.433 -3.476 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU P 61 24.443 -2.152 0.178 1.00 0.00 H new ATOM 0 HB3 GLU P 61 25.422 -0.703 0.296 1.00 0.00 H new ATOM 0 HG2 GLU P 61 25.899 -0.782 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU P 61 25.033 -2.298 -2.274 1.00 0.00 H new ATOM 1107 N PHE P 62 28.284 -2.420 -1.727 1.00 0.00 N ATOM 1108 CA PHE P 62 29.509 -2.000 -2.422 1.00 0.00 C ATOM 1109 C PHE P 62 29.302 -0.775 -3.337 1.00 0.00 C ATOM 1110 O PHE P 62 28.177 -0.441 -3.719 1.00 0.00 O ATOM 1111 CB PHE P 62 30.099 -3.199 -3.187 1.00 0.00 C ATOM 1112 CG PHE P 62 29.216 -3.763 -4.287 1.00 0.00 C ATOM 1113 CD1 PHE P 62 29.254 -3.212 -5.584 1.00 0.00 C ATOM 1114 CD2 PHE P 62 28.355 -4.847 -4.018 1.00 0.00 C ATOM 1115 CE1 PHE P 62 28.429 -3.731 -6.598 1.00 0.00 C ATOM 1116 CE2 PHE P 62 27.531 -5.365 -5.032 1.00 0.00 C ATOM 1117 CZ PHE P 62 27.565 -4.807 -6.322 1.00 0.00 C ATOM 0 H PHE P 62 27.787 -3.167 -2.212 1.00 0.00 H new ATOM 0 HA PHE P 62 30.223 -1.669 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE P 62 31.050 -2.897 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE P 62 30.315 -3.994 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE P 62 29.919 -2.389 -5.800 1.00 0.00 H new ATOM 0 HD2 PHE P 62 28.329 -5.281 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE P 62 28.459 -3.303 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE P 62 26.871 -6.193 -4.820 1.00 0.00 H new ATOM 0 HZ PHE P 62 26.929 -5.203 -7.100 1.00 0.00 H new ATOM 1127 N ILE P 63 30.408 -0.125 -3.717 1.00 0.00 N ATOM 1128 CA ILE P 63 30.455 1.012 -4.655 1.00 0.00 C ATOM 1129 C ILE P 63 31.413 0.666 -5.809 1.00 0.00 C ATOM 1130 O ILE P 63 32.502 0.130 -5.585 1.00 0.00 O ATOM 1131 CB ILE P 63 30.838 2.327 -3.927 1.00 0.00 C ATOM 1132 CG1 ILE P 63 29.891 2.602 -2.729 1.00 0.00 C ATOM 1133 CG2 ILE P 63 30.808 3.514 -4.910 1.00 0.00 C ATOM 1134 CD1 ILE P 63 30.224 3.860 -1.916 1.00 0.00 C ATOM 0 H ILE P 63 31.331 -0.383 -3.369 1.00 0.00 H new ATOM 0 HA ILE P 63 29.465 1.187 -5.076 1.00 0.00 H new ATOM 0 HB ILE P 63 31.851 2.212 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE P 63 28.871 2.689 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE P 63 29.913 1.740 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE P 63 31.079 4.429 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE P 63 31.518 3.336 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE P 63 29.805 3.617 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE P 63 29.507 3.967 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE P 63 31.230 3.772 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE P 63 30.172 4.736 -2.563 1.00 0.00 H new ATOM 1146 N VAL P 64 31.008 0.960 -7.049 1.00 0.00 N ATOM 1147 CA VAL P 64 31.694 0.524 -8.289 1.00 0.00 C ATOM 1148 C VAL P 64 32.800 1.473 -8.785 1.00 0.00 C ATOM 1149 O VAL P 64 33.388 1.245 -9.845 1.00 0.00 O ATOM 1150 CB VAL P 64 30.672 0.219 -9.409 1.00 0.00 C ATOM 1151 CG1 VAL P 64 29.723 -0.914 -8.998 1.00 0.00 C ATOM 1152 CG2 VAL P 64 29.838 1.445 -9.808 1.00 0.00 C ATOM 0 H VAL P 64 30.176 1.520 -7.232 1.00 0.00 H new ATOM 0 HA VAL P 64 32.215 -0.394 -8.019 1.00 0.00 H new ATOM 0 HB VAL P 64 31.263 -0.084 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL P 64 29.016 -1.107 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL P 64 30.300 -1.817 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL P 64 29.178 -0.624 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL P 64 29.139 1.168 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL P 64 29.283 1.805 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL P 64 30.499 2.233 -10.168 1.00 0.00 H new ATOM 1162 N THR P 65 33.092 2.545 -8.042 1.00 0.00 N ATOM 1163 CA THR P 65 34.084 3.581 -8.385 1.00 0.00 C ATOM 1164 C THR P 65 34.763 4.165 -7.133 1.00 0.00 C ATOM 1165 O THR P 65 34.267 4.001 -6.013 1.00 0.00 O ATOM 1166 CB THR P 65 33.427 4.674 -9.250 1.00 0.00 C ATOM 1167 OG1 THR P 65 34.413 5.512 -9.815 1.00 0.00 O ATOM 1168 CG2 THR P 65 32.422 5.550 -8.496 1.00 0.00 C ATOM 0 H THR P 65 32.629 2.726 -7.151 1.00 0.00 H new ATOM 0 HA THR P 65 34.877 3.115 -8.969 1.00 0.00 H new ATOM 0 HB THR P 65 32.875 4.136 -10.021 1.00 0.00 H new ATOM 0 HG1 THR P 65 33.982 6.201 -10.363 1.00 0.00 H new ATOM 0 HG21 THR P 65 32.005 6.293 -9.176 1.00 0.00 H new ATOM 0 HG22 THR P 65 31.619 4.927 -8.103 1.00 0.00 H new ATOM 0 HG23 THR P 65 32.926 6.054 -7.671 1.00 0.00 H new ATOM 1176 N ASP P 66 35.909 4.831 -7.314 1.00 0.00 N ATOM 1177 CA ASP P 66 36.746 5.445 -6.262 1.00 0.00 C ATOM 1178 C ASP P 66 37.409 6.761 -6.724 1.00 0.00 C ATOM 1179 O ASP P 66 38.014 6.787 -7.822 1.00 0.00 O ATOM 1180 CB ASP P 66 37.807 4.429 -5.790 1.00 0.00 C ATOM 1181 CG ASP P 66 38.722 4.983 -4.675 1.00 0.00 C ATOM 1182 OD1 ASP P 66 38.258 5.110 -3.514 1.00 0.00 O ATOM 1183 OD2 ASP P 66 39.918 5.260 -4.943 1.00 0.00 O ATOM 1184 OXT ASP P 66 37.302 7.769 -5.989 1.00 0.00 O ATOM 0 H ASP P 66 36.303 4.967 -8.245 1.00 0.00 H new ATOM 0 HA ASP P 66 36.095 5.707 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP P 66 37.306 3.531 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP P 66 38.420 4.131 -6.641 1.00 0.00 H new TER 1189 ASP P 66