USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 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 51 ASN : amide:sc= 0.813 K(o=1.7,f=-6.4!) USER MOD Set 1.2: P 55 LYS NZ :NH3+ 165:sc= 0.924 (180deg=0) USER MOD Set 2.1: P 28 MET CE :methyl 173:sc= -0.107 (180deg=-0.12) USER MOD Set 2.2: P 29 SER OG : rot 180:sc= 0 USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0.166 K(o=0.17,f=-3.8!) USER MOD Single : P 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 7 HIS : no HD1:sc= -0.803! C(o=-0.8!,f=-7.2!) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.323 USER MOD Single : P -1 GLY N :NH3+ 180:sc= 0 (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=-0.37) USER MOD Single : P 12 GLN : amide:sc= 1.17 K(o=1.2,f=-5.8!) USER MOD Single : P 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 19 THR OG1 : rot 75:sc= 1.25 USER MOD Single : P 21 GLN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : P 23 ASN : amide:sc= 0.238 K(o=0.24,f=-5.3!) USER MOD Single : P 25 TYR OH : rot 180:sc= 0.601 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -70:sc= 1.24 USER MOD Single : P 39 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-0.9) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : P 50 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 -24:sc= 0.0417 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -14.889 -14.080 -6.068 1.00 0.00 N ATOM 2 CA GLY P -1 -14.864 -13.487 -4.711 1.00 0.00 C ATOM 3 C GLY P -1 -13.809 -14.140 -3.835 1.00 0.00 C ATOM 4 O GLY P -1 -14.085 -15.151 -3.185 1.00 0.00 O ATOM 0 H1 GLY P -1 -15.621 -13.610 -6.639 1.00 0.00 H new ATOM 0 H2 GLY P -1 -13.961 -13.951 -6.520 1.00 0.00 H new ATOM 0 H3 GLY P -1 -15.103 -15.096 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -14.666 -12.418 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -15.844 -13.599 -4.246 1.00 0.00 H new ATOM 10 N SER P 0 -12.602 -13.568 -3.803 1.00 0.00 N ATOM 11 CA SER P 0 -11.431 -14.064 -3.047 1.00 0.00 C ATOM 12 C SER P 0 -11.201 -13.334 -1.710 1.00 0.00 C ATOM 13 O SER P 0 -10.222 -13.605 -1.013 1.00 0.00 O ATOM 14 CB SER P 0 -10.170 -13.982 -3.921 1.00 0.00 C ATOM 15 OG SER P 0 -10.360 -14.644 -5.166 1.00 0.00 O ATOM 0 H SER P 0 -12.398 -12.713 -4.321 1.00 0.00 H new ATOM 0 HA SER P 0 -11.646 -15.102 -2.792 1.00 0.00 H new ATOM 0 HB2 SER P 0 -9.915 -12.937 -4.098 1.00 0.00 H new ATOM 0 HB3 SER P 0 -9.329 -14.431 -3.393 1.00 0.00 H new ATOM 0 HG SER P 0 -9.542 -14.574 -5.702 1.00 0.00 H new ATOM 21 N GLN P 1 -12.093 -12.411 -1.334 1.00 0.00 N ATOM 22 CA GLN P 1 -12.007 -11.555 -0.140 1.00 0.00 C ATOM 23 C GLN P 1 -12.534 -12.223 1.154 1.00 0.00 C ATOM 24 O GLN P 1 -12.493 -11.617 2.227 1.00 0.00 O ATOM 25 CB GLN P 1 -12.749 -10.227 -0.410 1.00 0.00 C ATOM 26 CG GLN P 1 -12.185 -9.383 -1.572 1.00 0.00 C ATOM 27 CD GLN P 1 -12.633 -9.791 -2.980 1.00 0.00 C ATOM 28 OE1 GLN P 1 -13.421 -10.704 -3.202 1.00 0.00 O ATOM 29 NE2 GLN P 1 -12.141 -9.128 -4.004 1.00 0.00 N ATOM 0 H GLN P 1 -12.936 -12.230 -1.879 1.00 0.00 H new ATOM 0 HA GLN P 1 -10.948 -11.370 0.041 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -13.795 -10.450 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -12.726 -9.626 0.499 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -12.468 -8.343 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -11.097 -9.427 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -11.484 -8.364 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -12.417 -9.378 -4.954 1.00 0.00 H new ATOM 38 N ARG P 2 -13.038 -13.464 1.066 1.00 0.00 N ATOM 39 CA ARG P 2 -13.671 -14.216 2.170 1.00 0.00 C ATOM 40 C ARG P 2 -12.721 -14.523 3.341 1.00 0.00 C ATOM 41 O ARG P 2 -11.531 -14.761 3.119 1.00 0.00 O ATOM 42 CB ARG P 2 -14.330 -15.494 1.608 1.00 0.00 C ATOM 43 CG ARG P 2 -13.321 -16.563 1.141 1.00 0.00 C ATOM 44 CD ARG P 2 -14.005 -17.735 0.425 1.00 0.00 C ATOM 45 NE ARG P 2 -14.458 -17.368 -0.932 1.00 0.00 N ATOM 46 CZ ARG P 2 -15.199 -18.102 -1.742 1.00 0.00 C ATOM 47 NH1 ARG P 2 -15.667 -19.271 -1.404 1.00 0.00 N ATOM 48 NH2 ARG P 2 -15.476 -17.654 -2.930 1.00 0.00 N ATOM 0 H ARG P 2 -13.017 -13.994 0.194 1.00 0.00 H new ATOM 0 HA ARG P 2 -14.437 -13.574 2.603 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -14.974 -15.926 2.374 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -14.971 -15.222 0.769 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -12.594 -16.105 0.471 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -12.768 -16.939 2.002 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -13.312 -18.574 0.361 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -14.859 -18.070 1.014 1.00 0.00 H new ATOM 0 HE ARG P 2 -14.169 -16.454 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -15.465 -19.654 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -16.235 -19.803 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -15.122 -16.745 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -16.047 -18.212 -3.565 1.00 0.00 H new ATOM 62 N ARG P 3 -13.273 -14.589 4.560 1.00 0.00 N ATOM 63 CA ARG P 3 -12.593 -14.861 5.854 1.00 0.00 C ATOM 64 C ARG P 3 -11.484 -13.860 6.237 1.00 0.00 C ATOM 65 O ARG P 3 -10.962 -13.120 5.402 1.00 0.00 O ATOM 66 CB ARG P 3 -12.107 -16.327 5.916 1.00 0.00 C ATOM 67 CG ARG P 3 -13.247 -17.345 5.740 1.00 0.00 C ATOM 68 CD ARG P 3 -12.723 -18.780 5.864 1.00 0.00 C ATOM 69 NE ARG P 3 -13.812 -19.765 5.707 1.00 0.00 N ATOM 70 CZ ARG P 3 -13.696 -21.082 5.731 1.00 0.00 C ATOM 71 NH1 ARG P 3 -12.546 -21.674 5.899 1.00 0.00 N ATOM 72 NH2 ARG P 3 -14.745 -21.839 5.584 1.00 0.00 N ATOM 0 H ARG P 3 -14.275 -14.445 4.688 1.00 0.00 H new ATOM 0 HA ARG P 3 -13.352 -14.708 6.621 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -11.359 -16.489 5.140 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -11.616 -16.501 6.873 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -14.017 -17.169 6.491 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -13.715 -17.208 4.765 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -11.958 -18.957 5.108 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -12.247 -18.913 6.836 1.00 0.00 H new ATOM 0 HE ARG P 3 -14.750 -19.391 5.565 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -11.699 -21.118 6.017 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -12.494 -22.693 5.912 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -15.664 -21.417 5.449 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -14.648 -22.854 5.604 1.00 0.00 H new ATOM 86 N GLN P 4 -11.131 -13.828 7.523 1.00 0.00 N ATOM 87 CA GLN P 4 -10.095 -12.941 8.081 1.00 0.00 C ATOM 88 C GLN P 4 -8.665 -13.410 7.736 1.00 0.00 C ATOM 89 O GLN P 4 -8.436 -14.590 7.453 1.00 0.00 O ATOM 90 CB GLN P 4 -10.280 -12.810 9.604 1.00 0.00 C ATOM 91 CG GLN P 4 -11.607 -12.133 9.986 1.00 0.00 C ATOM 92 CD GLN P 4 -11.721 -11.917 11.494 1.00 0.00 C ATOM 93 OE1 GLN P 4 -11.477 -10.837 12.018 1.00 0.00 O ATOM 94 NE2 GLN P 4 -12.083 -12.929 12.257 1.00 0.00 N ATOM 0 H GLN P 4 -11.563 -14.429 8.225 1.00 0.00 H new ATOM 0 HA GLN P 4 -10.218 -11.961 7.619 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -10.239 -13.800 10.057 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -9.452 -12.235 10.018 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -11.686 -11.174 9.475 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -12.440 -12.747 9.643 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -12.290 -13.835 11.838 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -12.156 -12.806 13.267 1.00 0.00 H new ATOM 103 N ARG P 5 -7.698 -12.479 7.778 1.00 0.00 N ATOM 104 CA ARG P 5 -6.260 -12.707 7.509 1.00 0.00 C ATOM 105 C ARG P 5 -5.374 -12.091 8.603 1.00 0.00 C ATOM 106 O ARG P 5 -5.780 -11.134 9.267 1.00 0.00 O ATOM 107 CB ARG P 5 -5.858 -12.158 6.120 1.00 0.00 C ATOM 108 CG ARG P 5 -6.652 -12.749 4.940 1.00 0.00 C ATOM 109 CD ARG P 5 -7.856 -11.882 4.536 1.00 0.00 C ATOM 110 NE ARG P 5 -8.759 -12.607 3.623 1.00 0.00 N ATOM 111 CZ ARG P 5 -8.661 -12.743 2.316 1.00 0.00 C ATOM 112 NH1 ARG P 5 -7.757 -12.133 1.604 1.00 0.00 N ATOM 113 NH2 ARG P 5 -9.494 -13.515 1.691 1.00 0.00 N ATOM 0 H ARG P 5 -7.900 -11.506 8.009 1.00 0.00 H new ATOM 0 HA ARG P 5 -6.100 -13.785 7.514 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -5.987 -11.076 6.121 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -4.797 -12.353 5.960 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -5.989 -12.863 4.083 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -7.002 -13.746 5.207 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -8.404 -11.580 5.428 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -7.504 -10.970 4.054 1.00 0.00 H new ATOM 0 HE ARG P 5 -9.562 -13.061 4.059 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -7.082 -11.516 2.056 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -7.724 -12.272 0.594 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -10.218 -14.011 2.211 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -9.426 -13.626 0.679 1.00 0.00 H new ATOM 127 N THR P 6 -4.156 -12.615 8.758 1.00 0.00 N ATOM 128 CA THR P 6 -3.116 -12.095 9.672 1.00 0.00 C ATOM 129 C THR P 6 -1.924 -11.578 8.860 1.00 0.00 C ATOM 130 O THR P 6 -1.369 -12.320 8.046 1.00 0.00 O ATOM 131 CB THR P 6 -2.671 -13.168 10.682 1.00 0.00 C ATOM 132 OG1 THR P 6 -3.787 -13.657 11.403 1.00 0.00 O ATOM 133 CG2 THR P 6 -1.688 -12.628 11.724 1.00 0.00 C ATOM 0 H THR P 6 -3.849 -13.438 8.239 1.00 0.00 H new ATOM 0 HA THR P 6 -3.539 -11.269 10.243 1.00 0.00 H new ATOM 0 HB THR P 6 -2.189 -13.947 10.091 1.00 0.00 H new ATOM 0 HG1 THR P 6 -3.491 -14.340 12.041 1.00 0.00 H new ATOM 0 HG21 THR P 6 -1.409 -13.428 12.410 1.00 0.00 H new ATOM 0 HG22 THR P 6 -0.796 -12.252 11.222 1.00 0.00 H new ATOM 0 HG23 THR P 6 -2.158 -11.819 12.283 1.00 0.00 H new ATOM 141 N HIS P 7 -1.527 -10.317 9.090 1.00 0.00 N ATOM 142 CA HIS P 7 -0.560 -9.550 8.275 1.00 0.00 C ATOM 143 C HIS P 7 -0.956 -9.456 6.778 1.00 0.00 C ATOM 144 O HIS P 7 -2.022 -9.921 6.365 1.00 0.00 O ATOM 145 CB HIS P 7 0.873 -10.068 8.533 1.00 0.00 C ATOM 146 CG HIS P 7 1.955 -9.208 7.922 1.00 0.00 C ATOM 147 ND1 HIS P 7 2.026 -7.813 8.012 1.00 0.00 N ATOM 148 CD2 HIS P 7 2.898 -9.636 7.034 1.00 0.00 C ATOM 149 CE1 HIS P 7 3.025 -7.438 7.194 1.00 0.00 C ATOM 150 NE2 HIS P 7 3.565 -8.513 6.595 1.00 0.00 N ATOM 0 H HIS P 7 -1.883 -9.778 9.880 1.00 0.00 H new ATOM 0 HA HIS P 7 -0.584 -8.510 8.599 1.00 0.00 H new ATOM 0 HB2 HIS P 7 1.037 -10.132 9.609 1.00 0.00 H new ATOM 0 HB3 HIS P 7 0.960 -11.080 8.137 1.00 0.00 H new ATOM 0 HD2 HIS P 7 3.085 -10.656 6.734 1.00 0.00 H new ATOM 0 HE1 HIS P 7 3.347 -6.419 7.040 1.00 0.00 H new ATOM 0 HE2 HIS P 7 4.337 -8.500 5.929 1.00 0.00 H new ATOM 158 N PHE P 8 -0.134 -8.793 5.960 1.00 0.00 N ATOM 159 CA PHE P 8 -0.352 -8.621 4.522 1.00 0.00 C ATOM 160 C PHE P 8 -0.331 -9.976 3.788 1.00 0.00 C ATOM 161 O PHE P 8 0.542 -10.815 4.036 1.00 0.00 O ATOM 162 CB PHE P 8 0.715 -7.680 3.930 1.00 0.00 C ATOM 163 CG PHE P 8 0.918 -6.311 4.573 1.00 0.00 C ATOM 164 CD1 PHE P 8 -0.023 -5.740 5.455 1.00 0.00 C ATOM 165 CD2 PHE P 8 2.082 -5.585 4.252 1.00 0.00 C ATOM 166 CE1 PHE P 8 0.216 -4.478 6.026 1.00 0.00 C ATOM 167 CE2 PHE P 8 2.310 -4.314 4.808 1.00 0.00 C ATOM 168 CZ PHE P 8 1.378 -3.760 5.700 1.00 0.00 C ATOM 0 H PHE P 8 0.724 -8.350 6.289 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.337 -8.176 4.382 1.00 0.00 H new ATOM 0 HB2 PHE P 8 1.671 -8.204 3.958 1.00 0.00 H new ATOM 0 HB3 PHE P 8 0.469 -7.520 2.880 1.00 0.00 H new ATOM 0 HD1 PHE P 8 -0.931 -6.275 5.693 1.00 0.00 H new ATOM 0 HD2 PHE P 8 2.806 -6.009 3.572 1.00 0.00 H new ATOM 0 HE1 PHE P 8 -0.498 -4.058 6.719 1.00 0.00 H new ATOM 0 HE2 PHE P 8 3.202 -3.764 4.549 1.00 0.00 H new ATOM 0 HZ PHE P 8 1.554 -2.786 6.133 1.00 0.00 H new ATOM 178 N THR P 9 -1.271 -10.189 2.865 1.00 0.00 N ATOM 179 CA THR P 9 -1.326 -11.390 2.012 1.00 0.00 C ATOM 180 C THR P 9 -0.261 -11.366 0.913 1.00 0.00 C ATOM 181 O THR P 9 0.314 -10.320 0.603 1.00 0.00 O ATOM 182 CB THR P 9 -2.711 -11.576 1.370 1.00 0.00 C ATOM 183 OG1 THR P 9 -2.977 -10.535 0.455 1.00 0.00 O ATOM 184 CG2 THR P 9 -3.841 -11.617 2.397 1.00 0.00 C ATOM 0 H THR P 9 -2.026 -9.528 2.683 1.00 0.00 H new ATOM 0 HA THR P 9 -1.127 -12.233 2.674 1.00 0.00 H new ATOM 0 HB THR P 9 -2.679 -12.538 0.859 1.00 0.00 H new ATOM 0 HG1 THR P 9 -3.861 -10.670 0.054 1.00 0.00 H new ATOM 0 HG21 THR P 9 -4.794 -11.750 1.885 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.679 -12.448 3.083 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.858 -10.682 2.957 1.00 0.00 H new ATOM 192 N SER P 10 -0.034 -12.507 0.254 1.00 0.00 N ATOM 193 CA SER P 10 0.801 -12.591 -0.955 1.00 0.00 C ATOM 194 C SER P 10 0.317 -11.656 -2.073 1.00 0.00 C ATOM 195 O SER P 10 1.138 -11.058 -2.769 1.00 0.00 O ATOM 196 CB SER P 10 0.833 -14.038 -1.460 1.00 0.00 C ATOM 197 OG SER P 10 -0.487 -14.532 -1.651 1.00 0.00 O ATOM 0 H SER P 10 -0.425 -13.404 0.543 1.00 0.00 H new ATOM 0 HA SER P 10 1.805 -12.267 -0.680 1.00 0.00 H new ATOM 0 HB2 SER P 10 1.385 -14.089 -2.398 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.362 -14.667 -0.744 1.00 0.00 H new ATOM 0 HG SER P 10 -0.447 -15.456 -1.975 1.00 0.00 H new ATOM 203 N GLN P 11 -0.999 -11.452 -2.205 1.00 0.00 N ATOM 204 CA GLN P 11 -1.593 -10.516 -3.167 1.00 0.00 C ATOM 205 C GLN P 11 -1.327 -9.052 -2.780 1.00 0.00 C ATOM 206 O GLN P 11 -0.914 -8.261 -3.626 1.00 0.00 O ATOM 207 CB GLN P 11 -3.102 -10.780 -3.302 1.00 0.00 C ATOM 208 CG GLN P 11 -3.410 -12.165 -3.899 1.00 0.00 C ATOM 209 CD GLN P 11 -4.904 -12.430 -4.104 1.00 0.00 C ATOM 210 OE1 GLN P 11 -5.781 -11.648 -3.754 1.00 0.00 O ATOM 211 NE2 GLN P 11 -5.261 -13.559 -4.683 1.00 0.00 N ATOM 0 H GLN P 11 -1.692 -11.940 -1.638 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.117 -10.684 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -3.570 -10.699 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.547 -10.010 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -2.899 -12.259 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.001 -12.933 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -4.550 -14.226 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -6.249 -13.766 -4.831 1.00 0.00 H new ATOM 220 N GLN P 12 -1.491 -8.689 -1.503 1.00 0.00 N ATOM 221 CA GLN P 12 -1.201 -7.335 -1.005 1.00 0.00 C ATOM 222 C GLN P 12 0.296 -6.995 -1.110 1.00 0.00 C ATOM 223 O GLN P 12 0.648 -5.886 -1.514 1.00 0.00 O ATOM 224 CB GLN P 12 -1.698 -7.210 0.444 1.00 0.00 C ATOM 225 CG GLN P 12 -3.237 -7.164 0.520 1.00 0.00 C ATOM 226 CD GLN P 12 -3.773 -7.327 1.943 1.00 0.00 C ATOM 227 OE1 GLN P 12 -3.215 -8.016 2.784 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.879 -6.700 2.278 1.00 0.00 N ATOM 0 H GLN P 12 -1.829 -9.326 -0.782 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.729 -6.615 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.330 -8.054 1.028 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.285 -6.307 0.893 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.587 -6.215 0.113 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.650 -7.952 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -5.363 -6.119 1.594 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -5.253 -6.795 3.222 1.00 0.00 H new ATOM 237 N LEU P 13 1.180 -7.960 -0.831 1.00 0.00 N ATOM 238 CA LEU P 13 2.630 -7.823 -1.010 1.00 0.00 C ATOM 239 C LEU P 13 3.028 -7.716 -2.493 1.00 0.00 C ATOM 240 O LEU P 13 3.893 -6.908 -2.829 1.00 0.00 O ATOM 241 CB LEU P 13 3.342 -9.008 -0.329 1.00 0.00 C ATOM 242 CG LEU P 13 3.307 -8.959 1.212 1.00 0.00 C ATOM 243 CD1 LEU P 13 3.783 -10.295 1.784 1.00 0.00 C ATOM 244 CD2 LEU P 13 4.212 -7.857 1.771 1.00 0.00 C ATOM 0 H LEU P 13 0.903 -8.873 -0.469 1.00 0.00 H new ATOM 0 HA LEU P 13 2.945 -6.891 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.880 -9.937 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.381 -9.032 -0.658 1.00 0.00 H new ATOM 0 HG LEU P 13 2.277 -8.752 1.502 1.00 0.00 H new ATOM 0 HD11 LEU P 13 3.756 -10.255 2.873 1.00 0.00 H new ATOM 0 HD12 LEU P 13 3.129 -11.094 1.434 1.00 0.00 H new ATOM 0 HD13 LEU P 13 4.803 -10.490 1.453 1.00 0.00 H new ATOM 0 HD21 LEU P 13 4.157 -7.858 2.860 1.00 0.00 H new ATOM 0 HD22 LEU P 13 5.241 -8.038 1.460 1.00 0.00 H new ATOM 0 HD23 LEU P 13 3.883 -6.889 1.392 1.00 0.00 H new ATOM 256 N GLN P 14 2.380 -8.464 -3.394 1.00 0.00 N ATOM 257 CA GLN P 14 2.603 -8.358 -4.841 1.00 0.00 C ATOM 258 C GLN P 14 2.150 -6.993 -5.390 1.00 0.00 C ATOM 259 O GLN P 14 2.874 -6.378 -6.172 1.00 0.00 O ATOM 260 CB GLN P 14 1.901 -9.528 -5.552 1.00 0.00 C ATOM 261 CG GLN P 14 2.174 -9.561 -7.063 1.00 0.00 C ATOM 262 CD GLN P 14 1.533 -10.779 -7.724 1.00 0.00 C ATOM 263 OE1 GLN P 14 0.453 -10.717 -8.300 1.00 0.00 O ATOM 264 NE2 GLN P 14 2.156 -11.938 -7.664 1.00 0.00 N ATOM 0 H GLN P 14 1.683 -9.163 -3.139 1.00 0.00 H new ATOM 0 HA GLN P 14 3.673 -8.422 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN P 14 2.231 -10.467 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN P 14 0.826 -9.456 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN P 14 1.788 -8.651 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN P 14 3.250 -9.575 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN P 14 3.056 -12.009 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN P 14 1.739 -12.764 -8.093 1.00 0.00 H new ATOM 273 N GLU P 15 1.002 -6.475 -4.940 1.00 0.00 N ATOM 274 CA GLU P 15 0.539 -5.123 -5.286 1.00 0.00 C ATOM 275 C GLU P 15 1.485 -4.038 -4.749 1.00 0.00 C ATOM 276 O GLU P 15 1.782 -3.082 -5.464 1.00 0.00 O ATOM 277 CB GLU P 15 -0.889 -4.893 -4.761 1.00 0.00 C ATOM 278 CG GLU P 15 -1.967 -5.655 -5.548 1.00 0.00 C ATOM 279 CD GLU P 15 -2.172 -5.073 -6.961 1.00 0.00 C ATOM 280 OE1 GLU P 15 -2.941 -4.091 -7.111 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.580 -5.599 -7.934 1.00 0.00 O ATOM 0 H GLU P 15 0.365 -6.981 -4.324 1.00 0.00 H new ATOM 0 HA GLU P 15 0.536 -5.048 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -0.935 -5.194 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -1.112 -3.827 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -1.684 -6.705 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -2.909 -5.618 -5.001 1.00 0.00 H new ATOM 288 N LEU P 16 2.022 -4.192 -3.533 1.00 0.00 N ATOM 289 CA LEU P 16 3.016 -3.275 -2.964 1.00 0.00 C ATOM 290 C LEU P 16 4.369 -3.329 -3.693 1.00 0.00 C ATOM 291 O LEU P 16 4.980 -2.286 -3.920 1.00 0.00 O ATOM 292 CB LEU P 16 3.172 -3.575 -1.466 1.00 0.00 C ATOM 293 CG LEU P 16 2.130 -2.837 -0.614 1.00 0.00 C ATOM 294 CD1 LEU P 16 2.057 -3.456 0.782 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.492 -1.362 -0.454 1.00 0.00 C ATOM 0 H LEU P 16 1.777 -4.963 -2.912 1.00 0.00 H new ATOM 0 HA LEU P 16 2.654 -2.256 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.079 -4.648 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.172 -3.288 -1.142 1.00 0.00 H new ATOM 0 HG LEU P 16 1.171 -2.926 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.315 -2.924 1.377 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.773 -4.505 0.700 1.00 0.00 H new ATOM 0 HD13 LEU P 16 3.031 -3.380 1.265 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.736 -0.866 0.154 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.463 -1.277 0.034 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.536 -0.890 -1.435 1.00 0.00 H new ATOM 307 N GLU P 17 4.822 -4.503 -4.135 1.00 0.00 N ATOM 308 CA GLU P 17 6.040 -4.653 -4.944 1.00 0.00 C ATOM 309 C GLU P 17 5.868 -4.061 -6.358 1.00 0.00 C ATOM 310 O GLU P 17 6.786 -3.427 -6.889 1.00 0.00 O ATOM 311 CB GLU P 17 6.415 -6.145 -4.995 1.00 0.00 C ATOM 312 CG GLU P 17 7.826 -6.419 -5.529 1.00 0.00 C ATOM 313 CD GLU P 17 8.908 -6.023 -4.508 1.00 0.00 C ATOM 314 OE1 GLU P 17 9.298 -4.833 -4.470 1.00 0.00 O ATOM 315 OE2 GLU P 17 9.393 -6.902 -3.757 1.00 0.00 O ATOM 0 H GLU P 17 4.352 -5.387 -3.941 1.00 0.00 H new ATOM 0 HA GLU P 17 6.850 -4.091 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.330 -6.564 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.693 -6.669 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.924 -7.477 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU P 17 7.979 -5.864 -6.455 1.00 0.00 H new ATOM 322 N ALA P 18 4.678 -4.197 -6.956 1.00 0.00 N ATOM 323 CA ALA P 18 4.302 -3.515 -8.197 1.00 0.00 C ATOM 324 C ALA P 18 4.209 -1.985 -8.009 1.00 0.00 C ATOM 325 O ALA P 18 4.605 -1.218 -8.888 1.00 0.00 O ATOM 326 CB ALA P 18 2.982 -4.108 -8.700 1.00 0.00 C ATOM 0 H ALA P 18 3.939 -4.794 -6.584 1.00 0.00 H new ATOM 0 HA ALA P 18 5.079 -3.676 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.688 -3.610 -9.624 1.00 0.00 H new ATOM 0 HB2 ALA P 18 3.110 -5.174 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA P 18 2.207 -3.962 -7.947 1.00 0.00 H new ATOM 332 N THR P 19 3.759 -1.533 -6.836 1.00 0.00 N ATOM 333 CA THR P 19 3.709 -0.114 -6.450 1.00 0.00 C ATOM 334 C THR P 19 5.121 0.457 -6.252 1.00 0.00 C ATOM 335 O THR P 19 5.403 1.545 -6.751 1.00 0.00 O ATOM 336 CB THR P 19 2.836 0.066 -5.192 1.00 0.00 C ATOM 337 OG1 THR P 19 1.523 -0.389 -5.443 1.00 0.00 O ATOM 338 CG2 THR P 19 2.665 1.508 -4.730 1.00 0.00 C ATOM 0 H THR P 19 3.410 -2.156 -6.108 1.00 0.00 H new ATOM 0 HA THR P 19 3.249 0.451 -7.261 1.00 0.00 H new ATOM 0 HB THR P 19 3.365 -0.498 -4.424 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.513 -1.369 -5.455 1.00 0.00 H new ATOM 0 HG21 THR P 19 2.036 1.533 -3.840 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.641 1.933 -4.497 1.00 0.00 H new ATOM 0 HG23 THR P 19 2.195 2.091 -5.522 1.00 0.00 H new ATOM 346 N PHE P 20 6.044 -0.286 -5.627 1.00 0.00 N ATOM 347 CA PHE P 20 7.431 0.150 -5.407 1.00 0.00 C ATOM 348 C PHE P 20 8.219 0.292 -6.718 1.00 0.00 C ATOM 349 O PHE P 20 8.924 1.281 -6.914 1.00 0.00 O ATOM 350 CB PHE P 20 8.148 -0.805 -4.436 1.00 0.00 C ATOM 351 CG PHE P 20 9.407 -0.205 -3.829 1.00 0.00 C ATOM 352 CD1 PHE P 20 10.612 -0.167 -4.558 1.00 0.00 C ATOM 353 CD2 PHE P 20 9.364 0.361 -2.540 1.00 0.00 C ATOM 354 CE1 PHE P 20 11.751 0.458 -4.016 1.00 0.00 C ATOM 355 CE2 PHE P 20 10.500 0.995 -2.003 1.00 0.00 C ATOM 356 CZ PHE P 20 11.692 1.051 -2.743 1.00 0.00 C ATOM 0 H PHE P 20 5.848 -1.216 -5.256 1.00 0.00 H new ATOM 0 HA PHE P 20 7.388 1.143 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.462 -1.082 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE P 20 8.408 -1.722 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE P 20 10.662 -0.620 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE P 20 8.454 0.308 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE P 20 12.672 0.482 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE P 20 10.455 1.439 -1.020 1.00 0.00 H new ATOM 0 HZ PHE P 20 12.560 1.548 -2.336 1.00 0.00 H new ATOM 366 N GLN P 21 8.084 -0.655 -7.655 1.00 0.00 N ATOM 367 CA GLN P 21 8.765 -0.560 -8.957 1.00 0.00 C ATOM 368 C GLN P 21 8.137 0.489 -9.902 1.00 0.00 C ATOM 369 O GLN P 21 8.803 0.948 -10.834 1.00 0.00 O ATOM 370 CB GLN P 21 8.915 -1.953 -9.588 1.00 0.00 C ATOM 371 CG GLN P 21 7.601 -2.551 -10.106 1.00 0.00 C ATOM 372 CD GLN P 21 7.724 -4.052 -10.347 1.00 0.00 C ATOM 373 OE1 GLN P 21 7.913 -4.526 -11.460 1.00 0.00 O ATOM 374 NE2 GLN P 21 7.633 -4.854 -9.306 1.00 0.00 N ATOM 0 H GLN P 21 7.513 -1.492 -7.539 1.00 0.00 H new ATOM 0 HA GLN P 21 9.770 -0.179 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN P 21 9.624 -1.892 -10.414 1.00 0.00 H new ATOM 0 HB3 GLN P 21 9.344 -2.630 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN P 21 6.805 -2.362 -9.385 1.00 0.00 H new ATOM 0 HG3 GLN P 21 7.316 -2.055 -11.034 1.00 0.00 H new ATOM 0 HE21 GLN P 21 7.476 -4.466 -8.376 1.00 0.00 H new ATOM 0 HE22 GLN P 21 7.720 -5.863 -9.430 1.00 0.00 H new ATOM 383 N ARG P 22 6.890 0.922 -9.640 1.00 0.00 N ATOM 384 CA ARG P 22 6.238 2.065 -10.310 1.00 0.00 C ATOM 385 C ARG P 22 6.674 3.410 -9.708 1.00 0.00 C ATOM 386 O ARG P 22 6.923 4.350 -10.463 1.00 0.00 O ATOM 387 CB ARG P 22 4.710 1.862 -10.274 1.00 0.00 C ATOM 388 CG ARG P 22 3.857 2.952 -10.954 1.00 0.00 C ATOM 389 CD ARG P 22 4.082 3.108 -12.467 1.00 0.00 C ATOM 390 NE ARG P 22 5.295 3.890 -12.779 1.00 0.00 N ATOM 391 CZ ARG P 22 5.791 4.156 -13.972 1.00 0.00 C ATOM 392 NH1 ARG P 22 5.220 3.750 -15.071 1.00 0.00 N ATOM 393 NH2 ARG P 22 6.890 4.844 -14.075 1.00 0.00 N ATOM 0 H ARG P 22 6.294 0.478 -8.942 1.00 0.00 H new ATOM 0 HA ARG P 22 6.557 2.102 -11.352 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.481 0.906 -10.745 1.00 0.00 H new ATOM 0 HB3 ARG P 22 4.400 1.786 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG P 22 2.804 2.729 -10.780 1.00 0.00 H new ATOM 0 HG3 ARG P 22 4.064 3.907 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG P 22 4.162 2.121 -12.923 1.00 0.00 H new ATOM 0 HD3 ARG P 22 3.215 3.595 -12.912 1.00 0.00 H new ATOM 0 HE ARG P 22 5.807 4.267 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG P 22 4.358 3.206 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG P 22 5.635 3.976 -15.975 1.00 0.00 H new ATOM 0 HH21 ARG P 22 7.365 5.176 -13.235 1.00 0.00 H new ATOM 0 HH22 ARG P 22 7.277 5.052 -14.995 1.00 0.00 H new ATOM 407 N ASN P 23 6.798 3.499 -8.382 1.00 0.00 N ATOM 408 CA ASN P 23 7.378 4.636 -7.659 1.00 0.00 C ATOM 409 C ASN P 23 8.096 4.155 -6.381 1.00 0.00 C ATOM 410 O ASN P 23 7.463 3.637 -5.458 1.00 0.00 O ATOM 411 CB ASN P 23 6.267 5.658 -7.341 1.00 0.00 C ATOM 412 CG ASN P 23 6.777 6.920 -6.655 1.00 0.00 C ATOM 413 OD1 ASN P 23 7.947 7.073 -6.329 1.00 0.00 O ATOM 414 ND2 ASN P 23 5.912 7.878 -6.417 1.00 0.00 N ATOM 0 H ASN P 23 6.486 2.755 -7.758 1.00 0.00 H new ATOM 0 HA ASN P 23 8.127 5.125 -8.283 1.00 0.00 H new ATOM 0 HB2 ASN P 23 5.765 5.936 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN P 23 5.521 5.184 -6.703 1.00 0.00 H new ATOM 0 HD21 ASN P 23 6.217 8.740 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN P 23 4.935 7.761 -6.685 1.00 0.00 H new ATOM 421 N ARG P 24 9.417 4.369 -6.313 1.00 0.00 N ATOM 422 CA ARG P 24 10.283 3.936 -5.197 1.00 0.00 C ATOM 423 C ARG P 24 10.195 4.839 -3.958 1.00 0.00 C ATOM 424 O ARG P 24 10.583 4.422 -2.867 1.00 0.00 O ATOM 425 CB ARG P 24 11.736 3.840 -5.692 1.00 0.00 C ATOM 426 CG ARG P 24 11.920 2.803 -6.814 1.00 0.00 C ATOM 427 CD ARG P 24 13.389 2.686 -7.233 1.00 0.00 C ATOM 428 NE ARG P 24 13.876 3.894 -7.936 1.00 0.00 N ATOM 429 CZ ARG P 24 13.742 4.183 -9.219 1.00 0.00 C ATOM 430 NH1 ARG P 24 13.119 3.397 -10.051 1.00 0.00 N ATOM 431 NH2 ARG P 24 14.234 5.289 -9.697 1.00 0.00 N ATOM 0 H ARG P 24 9.929 4.859 -7.047 1.00 0.00 H new ATOM 0 HA ARG P 24 9.923 2.959 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG P 24 12.057 4.818 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG P 24 12.383 3.580 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG P 24 11.558 1.832 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG P 24 11.316 3.086 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG P 24 14.003 2.512 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG P 24 13.510 1.818 -7.882 1.00 0.00 H new ATOM 0 HE ARG P 24 14.371 4.581 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG P 24 12.713 2.522 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG P 24 13.037 3.657 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG P 24 14.725 5.937 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG P 24 14.128 5.508 -10.688 1.00 0.00 H new ATOM 445 N TYR P 25 9.685 6.063 -4.122 1.00 0.00 N ATOM 446 CA TYR P 25 9.606 7.100 -3.085 1.00 0.00 C ATOM 447 C TYR P 25 8.237 7.827 -3.103 1.00 0.00 C ATOM 448 O TYR P 25 8.181 9.039 -3.351 1.00 0.00 O ATOM 449 CB TYR P 25 10.795 8.067 -3.253 1.00 0.00 C ATOM 450 CG TYR P 25 12.175 7.451 -3.071 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.750 7.383 -1.785 1.00 0.00 C ATOM 452 CD2 TYR P 25 12.900 6.983 -4.186 1.00 0.00 C ATOM 453 CE1 TYR P 25 14.049 6.863 -1.616 1.00 0.00 C ATOM 454 CE2 TYR P 25 14.197 6.459 -4.020 1.00 0.00 C ATOM 455 CZ TYR P 25 14.778 6.404 -2.734 1.00 0.00 C ATOM 456 OH TYR P 25 16.043 5.922 -2.570 1.00 0.00 O ATOM 0 H TYR P 25 9.301 6.372 -5.015 1.00 0.00 H new ATOM 0 HA TYR P 25 9.675 6.636 -2.101 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.743 8.509 -4.248 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.683 8.880 -2.536 1.00 0.00 H new ATOM 0 HD1 TYR P 25 12.193 7.730 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR P 25 12.459 7.026 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR P 25 14.487 6.816 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR P 25 14.747 6.099 -4.877 1.00 0.00 H new ATOM 0 HH TYR P 25 16.403 5.647 -3.439 1.00 0.00 H new ATOM 466 N PRO P 26 7.109 7.123 -2.859 1.00 0.00 N ATOM 467 CA PRO P 26 5.785 7.745 -2.763 1.00 0.00 C ATOM 468 C PRO P 26 5.680 8.654 -1.531 1.00 0.00 C ATOM 469 O PRO P 26 6.257 8.362 -0.480 1.00 0.00 O ATOM 470 CB PRO P 26 4.789 6.583 -2.712 1.00 0.00 C ATOM 471 CG PRO P 26 5.592 5.455 -2.069 1.00 0.00 C ATOM 472 CD PRO P 26 7.015 5.697 -2.569 1.00 0.00 C ATOM 0 HA PRO P 26 5.582 8.397 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.908 6.835 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO P 26 4.439 6.310 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO P 26 5.537 5.494 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO P 26 5.222 4.476 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.747 5.404 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO P 26 7.220 5.104 -3.461 1.00 0.00 H new ATOM 480 N ASP P 27 4.918 9.742 -1.638 1.00 0.00 N ATOM 481 CA ASP P 27 4.655 10.665 -0.529 1.00 0.00 C ATOM 482 C ASP P 27 3.629 10.076 0.459 1.00 0.00 C ATOM 483 O ASP P 27 2.883 9.153 0.122 1.00 0.00 O ATOM 484 CB ASP P 27 4.215 12.020 -1.115 1.00 0.00 C ATOM 485 CG ASP P 27 4.228 13.181 -0.105 1.00 0.00 C ATOM 486 OD1 ASP P 27 4.860 13.057 0.971 1.00 0.00 O ATOM 487 OD2 ASP P 27 3.602 14.226 -0.396 1.00 0.00 O ATOM 0 H ASP P 27 4.459 10.013 -2.508 1.00 0.00 H new ATOM 0 HA ASP P 27 5.563 10.820 0.054 1.00 0.00 H new ATOM 0 HB2 ASP P 27 4.870 12.272 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP P 27 3.208 11.918 -1.520 1.00 0.00 H new ATOM 492 N MET P 28 3.557 10.601 1.684 1.00 0.00 N ATOM 493 CA MET P 28 2.732 10.026 2.760 1.00 0.00 C ATOM 494 C MET P 28 1.211 10.074 2.506 1.00 0.00 C ATOM 495 O MET P 28 0.475 9.315 3.142 1.00 0.00 O ATOM 496 CB MET P 28 3.156 10.578 4.136 1.00 0.00 C ATOM 497 CG MET P 28 3.203 12.105 4.284 1.00 0.00 C ATOM 498 SD MET P 28 1.619 12.978 4.151 1.00 0.00 S ATOM 499 CE MET P 28 1.945 13.965 2.664 1.00 0.00 C ATOM 0 H MET P 28 4.068 11.438 1.963 1.00 0.00 H new ATOM 0 HA MET P 28 2.939 8.956 2.764 1.00 0.00 H new ATOM 0 HB2 MET P 28 2.470 10.185 4.886 1.00 0.00 H new ATOM 0 HB3 MET P 28 4.145 10.183 4.371 1.00 0.00 H new ATOM 0 HG2 MET P 28 3.643 12.341 5.253 1.00 0.00 H new ATOM 0 HG3 MET P 28 3.876 12.501 3.524 1.00 0.00 H new ATOM 0 HE1 MET P 28 1.032 14.475 2.359 1.00 0.00 H new ATOM 0 HE2 MET P 28 2.718 14.703 2.879 1.00 0.00 H new ATOM 0 HE3 MET P 28 2.281 13.311 1.860 1.00 0.00 H new ATOM 509 N SER P 29 0.740 10.876 1.544 1.00 0.00 N ATOM 510 CA SER P 29 -0.645 10.851 1.035 1.00 0.00 C ATOM 511 C SER P 29 -0.844 9.762 -0.027 1.00 0.00 C ATOM 512 O SER P 29 -1.858 9.067 -0.018 1.00 0.00 O ATOM 513 CB SER P 29 -1.042 12.205 0.435 1.00 0.00 C ATOM 514 OG SER P 29 -1.035 13.217 1.428 1.00 0.00 O ATOM 0 H SER P 29 1.320 11.578 1.085 1.00 0.00 H new ATOM 0 HA SER P 29 -1.282 10.631 1.891 1.00 0.00 H new ATOM 0 HB2 SER P 29 -0.351 12.470 -0.365 1.00 0.00 H new ATOM 0 HB3 SER P 29 -2.034 12.133 -0.011 1.00 0.00 H new ATOM 0 HG SER P 29 -1.289 14.073 1.024 1.00 0.00 H new ATOM 520 N THR P 30 0.142 9.540 -0.902 1.00 0.00 N ATOM 521 CA THR P 30 0.130 8.452 -1.899 1.00 0.00 C ATOM 522 C THR P 30 0.143 7.084 -1.210 1.00 0.00 C ATOM 523 O THR P 30 -0.615 6.191 -1.593 1.00 0.00 O ATOM 524 CB THR P 30 1.332 8.576 -2.853 1.00 0.00 C ATOM 525 OG1 THR P 30 1.396 9.886 -3.381 1.00 0.00 O ATOM 526 CG2 THR P 30 1.251 7.609 -4.036 1.00 0.00 C ATOM 0 H THR P 30 0.983 10.115 -0.942 1.00 0.00 H new ATOM 0 HA THR P 30 -0.788 8.539 -2.481 1.00 0.00 H new ATOM 0 HB THR P 30 2.216 8.336 -2.262 1.00 0.00 H new ATOM 0 HG1 THR P 30 2.164 9.958 -3.986 1.00 0.00 H new ATOM 0 HG21 THR P 30 2.124 7.741 -4.674 1.00 0.00 H new ATOM 0 HG22 THR P 30 1.223 6.584 -3.667 1.00 0.00 H new ATOM 0 HG23 THR P 30 0.347 7.812 -4.611 1.00 0.00 H new ATOM 534 N ARG P 31 0.928 6.943 -0.128 1.00 0.00 N ATOM 535 CA ARG P 31 0.921 5.753 0.747 1.00 0.00 C ATOM 536 C ARG P 31 -0.438 5.529 1.434 1.00 0.00 C ATOM 537 O ARG P 31 -0.811 4.388 1.682 1.00 0.00 O ATOM 538 CB ARG P 31 2.063 5.827 1.780 1.00 0.00 C ATOM 539 CG ARG P 31 3.460 5.855 1.128 1.00 0.00 C ATOM 540 CD ARG P 31 4.592 5.862 2.168 1.00 0.00 C ATOM 541 NE ARG P 31 5.803 6.513 1.641 1.00 0.00 N ATOM 542 CZ ARG P 31 7.010 6.560 2.172 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.350 5.925 3.259 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.911 7.287 1.584 1.00 0.00 N ATOM 0 H ARG P 31 1.593 7.658 0.168 1.00 0.00 H new ATOM 0 HA ARG P 31 1.089 4.887 0.106 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.935 6.720 2.392 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.997 4.969 2.449 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.572 4.987 0.479 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.545 6.739 0.496 1.00 0.00 H new ATOM 0 HD2 ARG P 31 4.259 6.382 3.066 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.826 4.838 2.460 1.00 0.00 H new ATOM 0 HE ARG P 31 5.694 6.991 0.747 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.665 5.351 3.750 1.00 0.00 H new ATOM 0 HH12 ARG P 31 8.301 6.003 3.619 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.677 7.802 0.735 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.853 7.343 1.971 1.00 0.00 H new ATOM 558 N GLU P 32 -1.211 6.587 1.693 1.00 0.00 N ATOM 559 CA GLU P 32 -2.575 6.489 2.245 1.00 0.00 C ATOM 560 C GLU P 32 -3.610 6.046 1.196 1.00 0.00 C ATOM 561 O GLU P 32 -4.492 5.242 1.497 1.00 0.00 O ATOM 562 CB GLU P 32 -2.981 7.842 2.852 1.00 0.00 C ATOM 563 CG GLU P 32 -4.120 7.722 3.873 1.00 0.00 C ATOM 564 CD GLU P 32 -4.539 9.109 4.399 1.00 0.00 C ATOM 565 OE1 GLU P 32 -3.788 9.707 5.208 1.00 0.00 O ATOM 566 OE2 GLU P 32 -5.617 9.616 4.000 1.00 0.00 O ATOM 0 H GLU P 32 -0.910 7.547 1.526 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.561 5.720 3.017 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.114 8.293 3.334 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.287 8.516 2.052 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -4.976 7.230 3.412 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -3.802 7.094 4.705 1.00 0.00 H new ATOM 573 N GLU P 33 -3.495 6.518 -0.051 1.00 0.00 N ATOM 574 CA GLU P 33 -4.384 6.092 -1.143 1.00 0.00 C ATOM 575 C GLU P 33 -4.200 4.603 -1.473 1.00 0.00 C ATOM 576 O GLU P 33 -5.182 3.865 -1.559 1.00 0.00 O ATOM 577 CB GLU P 33 -4.170 6.950 -2.398 1.00 0.00 C ATOM 578 CG GLU P 33 -4.680 8.384 -2.216 1.00 0.00 C ATOM 579 CD GLU P 33 -4.555 9.190 -3.525 1.00 0.00 C ATOM 580 OE1 GLU P 33 -3.440 9.664 -3.851 1.00 0.00 O ATOM 581 OE2 GLU P 33 -5.579 9.371 -4.230 1.00 0.00 O ATOM 0 H GLU P 33 -2.790 7.200 -0.332 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.408 6.235 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.108 6.973 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -4.682 6.489 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -5.722 8.365 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.113 8.877 -1.426 1.00 0.00 H new ATOM 588 N ILE P 34 -2.956 4.118 -1.565 1.00 0.00 N ATOM 589 CA ILE P 34 -2.707 2.683 -1.784 1.00 0.00 C ATOM 590 C ILE P 34 -3.118 1.830 -0.570 1.00 0.00 C ATOM 591 O ILE P 34 -3.511 0.678 -0.763 1.00 0.00 O ATOM 592 CB ILE P 34 -1.275 2.402 -2.300 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.155 2.766 -1.310 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.037 3.164 -3.616 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.179 1.654 -0.316 1.00 0.00 C ATOM 0 H ILE P 34 -2.113 4.688 -1.493 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.363 2.363 -2.594 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.225 1.323 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.744 3.020 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.448 3.658 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.028 2.963 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -1.760 2.835 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.154 4.234 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE P 34 0.977 1.987 0.348 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.706 1.414 0.273 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.505 0.767 -0.859 1.00 0.00 H new ATOM 607 N ALA P 35 -3.126 2.376 0.658 1.00 0.00 N ATOM 608 CA ALA P 35 -3.672 1.697 1.837 1.00 0.00 C ATOM 609 C ALA P 35 -5.163 1.357 1.660 1.00 0.00 C ATOM 610 O ALA P 35 -5.552 0.204 1.841 1.00 0.00 O ATOM 611 CB ALA P 35 -3.461 2.555 3.095 1.00 0.00 C ATOM 0 H ALA P 35 -2.752 3.304 0.857 1.00 0.00 H new ATOM 0 HA ALA P 35 -3.133 0.757 1.955 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.872 2.037 3.962 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -2.395 2.724 3.245 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.967 3.513 2.971 1.00 0.00 H new ATOM 617 N VAL P 36 -6.003 2.315 1.247 1.00 0.00 N ATOM 618 CA VAL P 36 -7.444 2.062 1.044 1.00 0.00 C ATOM 619 C VAL P 36 -7.727 1.182 -0.182 1.00 0.00 C ATOM 620 O VAL P 36 -8.678 0.399 -0.158 1.00 0.00 O ATOM 621 CB VAL P 36 -8.292 3.352 1.035 1.00 0.00 C ATOM 622 CG1 VAL P 36 -8.206 4.077 2.381 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.913 4.362 -0.046 1.00 0.00 C ATOM 0 H VAL P 36 -5.715 3.272 1.046 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.761 1.493 1.918 1.00 0.00 H new ATOM 0 HB VAL P 36 -9.301 2.998 0.826 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -8.813 4.982 2.346 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -8.575 3.423 3.171 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -7.169 4.343 2.585 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.563 5.234 0.027 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -6.876 4.670 0.091 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -8.029 3.904 -1.028 1.00 0.00 H new ATOM 633 N TRP P 37 -6.882 1.228 -1.219 1.00 0.00 N ATOM 634 CA TRP P 37 -6.997 0.366 -2.410 1.00 0.00 C ATOM 635 C TRP P 37 -6.592 -1.098 -2.146 1.00 0.00 C ATOM 636 O TRP P 37 -7.172 -2.007 -2.742 1.00 0.00 O ATOM 637 CB TRP P 37 -6.164 0.962 -3.558 1.00 0.00 C ATOM 638 CG TRP P 37 -6.486 2.362 -3.993 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.578 3.071 -3.634 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.694 3.265 -4.827 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.507 4.350 -4.145 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.369 4.524 -4.903 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.467 3.154 -5.519 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -5.853 5.612 -5.623 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -3.938 4.242 -6.243 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.626 5.468 -6.295 1.00 0.00 C ATOM 0 H TRP P 37 -6.090 1.870 -1.259 1.00 0.00 H new ATOM 0 HA TRP P 37 -8.051 0.339 -2.688 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -5.115 0.934 -3.262 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.268 0.308 -4.424 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.391 2.691 -3.033 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.207 5.074 -3.983 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -3.925 2.220 -5.493 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.391 6.548 -5.661 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -2.997 4.133 -6.762 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.213 6.297 -6.850 1.00 0.00 H new ATOM 657 N THR P 38 -5.642 -1.342 -1.234 1.00 0.00 N ATOM 658 CA THR P 38 -5.203 -2.694 -0.809 1.00 0.00 C ATOM 659 C THR P 38 -5.890 -3.198 0.472 1.00 0.00 C ATOM 660 O THR P 38 -5.685 -4.347 0.868 1.00 0.00 O ATOM 661 CB THR P 38 -3.673 -2.779 -0.656 1.00 0.00 C ATOM 662 OG1 THR P 38 -3.199 -1.837 0.277 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.931 -2.552 -1.974 1.00 0.00 C ATOM 0 H THR P 38 -5.141 -0.594 -0.755 1.00 0.00 H new ATOM 0 HA THR P 38 -5.517 -3.355 -1.617 1.00 0.00 H new ATOM 0 HB THR P 38 -3.473 -3.793 -0.309 1.00 0.00 H new ATOM 0 HG1 THR P 38 -3.291 -0.935 -0.094 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.857 -2.624 -1.804 1.00 0.00 H new ATOM 0 HG22 THR P 38 -3.235 -3.308 -2.698 1.00 0.00 H new ATOM 0 HG23 THR P 38 -3.172 -1.562 -2.361 1.00 0.00 H new ATOM 671 N ASN P 39 -6.730 -2.366 1.100 1.00 0.00 N ATOM 672 CA ASN P 39 -7.367 -2.574 2.408 1.00 0.00 C ATOM 673 C ASN P 39 -6.362 -2.831 3.559 1.00 0.00 C ATOM 674 O ASN P 39 -6.498 -3.769 4.349 1.00 0.00 O ATOM 675 CB ASN P 39 -8.512 -3.601 2.284 1.00 0.00 C ATOM 676 CG ASN P 39 -9.453 -3.606 3.483 1.00 0.00 C ATOM 677 OD1 ASN P 39 -9.516 -2.681 4.283 1.00 0.00 O ATOM 678 ND2 ASN P 39 -10.252 -4.640 3.627 1.00 0.00 N ATOM 0 H ASN P 39 -7.000 -1.475 0.684 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.829 -1.636 2.717 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -9.086 -3.387 1.382 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -8.085 -4.597 2.162 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -10.917 -4.667 4.400 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -10.207 -5.415 2.966 1.00 0.00 H new ATOM 685 N LEU P 40 -5.336 -1.979 3.630 1.00 0.00 N ATOM 686 CA LEU P 40 -4.297 -1.910 4.664 1.00 0.00 C ATOM 687 C LEU P 40 -4.500 -0.706 5.605 1.00 0.00 C ATOM 688 O LEU P 40 -5.207 0.251 5.279 1.00 0.00 O ATOM 689 CB LEU P 40 -2.916 -1.840 3.977 1.00 0.00 C ATOM 690 CG LEU P 40 -2.202 -3.195 3.874 1.00 0.00 C ATOM 691 CD1 LEU P 40 -2.982 -4.262 3.121 1.00 0.00 C ATOM 692 CD2 LEU P 40 -0.865 -3.023 3.163 1.00 0.00 C ATOM 0 H LEU P 40 -5.199 -1.266 2.914 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.360 -2.805 5.283 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -3.040 -1.429 2.975 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.281 -1.147 4.529 1.00 0.00 H new ATOM 0 HG LEU P 40 -2.086 -3.534 4.904 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -2.404 -5.186 3.096 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -3.932 -4.442 3.624 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -3.170 -3.924 2.102 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -0.363 -3.988 3.093 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.034 -2.628 2.161 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -0.240 -2.329 3.726 1.00 0.00 H new ATOM 704 N THR P 41 -3.834 -0.733 6.761 1.00 0.00 N ATOM 705 CA THR P 41 -3.729 0.413 7.680 1.00 0.00 C ATOM 706 C THR P 41 -2.643 1.392 7.224 1.00 0.00 C ATOM 707 O THR P 41 -1.550 1.000 6.807 1.00 0.00 O ATOM 708 CB THR P 41 -3.483 -0.034 9.132 1.00 0.00 C ATOM 709 OG1 THR P 41 -2.529 -1.074 9.196 1.00 0.00 O ATOM 710 CG2 THR P 41 -4.767 -0.559 9.771 1.00 0.00 C ATOM 0 H THR P 41 -3.343 -1.563 7.094 1.00 0.00 H new ATOM 0 HA THR P 41 -4.688 0.930 7.654 1.00 0.00 H new ATOM 0 HB THR P 41 -3.121 0.845 9.666 1.00 0.00 H new ATOM 0 HG1 THR P 41 -2.392 -1.336 10.131 1.00 0.00 H new ATOM 0 HG21 THR P 41 -4.563 -0.868 10.796 1.00 0.00 H new ATOM 0 HG22 THR P 41 -5.521 0.228 9.772 1.00 0.00 H new ATOM 0 HG23 THR P 41 -5.134 -1.413 9.201 1.00 0.00 H new ATOM 718 N GLU P 42 -2.943 2.692 7.303 1.00 0.00 N ATOM 719 CA GLU P 42 -2.112 3.754 6.717 1.00 0.00 C ATOM 720 C GLU P 42 -0.715 3.860 7.352 1.00 0.00 C ATOM 721 O GLU P 42 0.276 3.984 6.636 1.00 0.00 O ATOM 722 CB GLU P 42 -2.874 5.093 6.741 1.00 0.00 C ATOM 723 CG GLU P 42 -3.266 5.592 8.143 1.00 0.00 C ATOM 724 CD GLU P 42 -4.099 6.886 8.075 1.00 0.00 C ATOM 725 OE1 GLU P 42 -5.340 6.806 7.903 1.00 0.00 O ATOM 726 OE2 GLU P 42 -3.513 7.986 8.219 1.00 0.00 O ATOM 0 H GLU P 42 -3.775 3.042 7.778 1.00 0.00 H new ATOM 0 HA GLU P 42 -1.922 3.483 5.678 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -2.258 5.853 6.260 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -3.779 4.990 6.142 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -3.836 4.819 8.658 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.366 5.769 8.731 1.00 0.00 H new ATOM 733 N ALA P 43 -0.600 3.741 8.678 1.00 0.00 N ATOM 734 CA ALA P 43 0.687 3.838 9.375 1.00 0.00 C ATOM 735 C ALA P 43 1.579 2.604 9.133 1.00 0.00 C ATOM 736 O ALA P 43 2.797 2.734 8.991 1.00 0.00 O ATOM 737 CB ALA P 43 0.413 4.065 10.865 1.00 0.00 C ATOM 0 H ALA P 43 -1.393 3.575 9.297 1.00 0.00 H new ATOM 0 HA ALA P 43 1.248 4.682 8.975 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.359 4.140 11.402 1.00 0.00 H new ATOM 0 HB2 ALA P 43 -0.152 4.988 10.995 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.163 3.229 11.261 1.00 0.00 H new ATOM 743 N ARG P 44 0.977 1.411 9.026 1.00 0.00 N ATOM 744 CA ARG P 44 1.692 0.150 8.770 1.00 0.00 C ATOM 745 C ARG P 44 2.252 0.105 7.346 1.00 0.00 C ATOM 746 O ARG P 44 3.406 -0.278 7.157 1.00 0.00 O ATOM 747 CB ARG P 44 0.753 -1.030 9.074 1.00 0.00 C ATOM 748 CG ARG P 44 1.493 -2.364 9.254 1.00 0.00 C ATOM 749 CD ARG P 44 0.489 -3.486 9.552 1.00 0.00 C ATOM 750 NE ARG P 44 1.145 -4.807 9.659 1.00 0.00 N ATOM 751 CZ ARG P 44 1.615 -5.380 10.754 1.00 0.00 C ATOM 752 NH1 ARG P 44 1.584 -4.798 11.920 1.00 0.00 N ATOM 753 NH2 ARG P 44 2.133 -6.572 10.695 1.00 0.00 N ATOM 0 H ARG P 44 -0.032 1.292 9.116 1.00 0.00 H new ATOM 0 HA ARG P 44 2.556 0.079 9.431 1.00 0.00 H new ATOM 0 HB2 ARG P 44 0.187 -0.811 9.980 1.00 0.00 H new ATOM 0 HB3 ARG P 44 0.031 -1.129 8.263 1.00 0.00 H new ATOM 0 HG2 ARG P 44 2.058 -2.600 8.352 1.00 0.00 H new ATOM 0 HG3 ARG P 44 2.213 -2.283 10.069 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -0.034 -3.266 10.482 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -0.263 -3.518 8.763 1.00 0.00 H new ATOM 0 HE ARG P 44 1.246 -5.335 8.792 1.00 0.00 H new ATOM 0 HH11 ARG P 44 1.186 -3.864 12.013 1.00 0.00 H new ATOM 0 HH12 ARG P 44 1.958 -5.277 12.739 1.00 0.00 H new ATOM 0 HH21 ARG P 44 2.177 -7.065 9.803 1.00 0.00 H new ATOM 0 HH22 ARG P 44 2.495 -7.013 11.540 1.00 0.00 H new ATOM 767 N VAL P 45 1.481 0.565 6.353 1.00 0.00 N ATOM 768 CA VAL P 45 1.950 0.626 4.956 1.00 0.00 C ATOM 769 C VAL P 45 2.925 1.784 4.702 1.00 0.00 C ATOM 770 O VAL P 45 3.855 1.627 3.913 1.00 0.00 O ATOM 771 CB VAL P 45 0.779 0.594 3.956 1.00 0.00 C ATOM 772 CG1 VAL P 45 0.165 1.957 3.649 1.00 0.00 C ATOM 773 CG2 VAL P 45 1.237 -0.039 2.643 1.00 0.00 C ATOM 0 H VAL P 45 0.528 0.902 6.488 1.00 0.00 H new ATOM 0 HA VAL P 45 2.530 -0.280 4.783 1.00 0.00 H new ATOM 0 HB VAL P 45 0.002 0.004 4.442 1.00 0.00 H new ATOM 0 HG11 VAL P 45 -0.651 1.836 2.937 1.00 0.00 H new ATOM 0 HG12 VAL P 45 -0.219 2.399 4.569 1.00 0.00 H new ATOM 0 HG13 VAL P 45 0.926 2.611 3.222 1.00 0.00 H new ATOM 0 HG21 VAL P 45 0.405 -0.059 1.939 1.00 0.00 H new ATOM 0 HG22 VAL P 45 2.054 0.547 2.222 1.00 0.00 H new ATOM 0 HG23 VAL P 45 1.579 -1.057 2.830 1.00 0.00 H new ATOM 783 N ARG P 46 2.801 2.913 5.419 1.00 0.00 N ATOM 784 CA ARG P 46 3.775 4.025 5.364 1.00 0.00 C ATOM 785 C ARG P 46 5.199 3.576 5.707 1.00 0.00 C ATOM 786 O ARG P 46 6.141 4.002 5.036 1.00 0.00 O ATOM 787 CB ARG P 46 3.318 5.174 6.284 1.00 0.00 C ATOM 788 CG ARG P 46 2.350 6.128 5.568 1.00 0.00 C ATOM 789 CD ARG P 46 1.731 7.122 6.553 1.00 0.00 C ATOM 790 NE ARG P 46 0.794 8.031 5.867 1.00 0.00 N ATOM 791 CZ ARG P 46 -0.383 8.445 6.294 1.00 0.00 C ATOM 792 NH1 ARG P 46 -0.868 8.118 7.454 1.00 0.00 N ATOM 793 NH2 ARG P 46 -1.095 9.199 5.518 1.00 0.00 N ATOM 0 H ARG P 46 2.023 3.084 6.055 1.00 0.00 H new ATOM 0 HA ARG P 46 3.806 4.384 4.335 1.00 0.00 H new ATOM 0 HB2 ARG P 46 2.833 4.761 7.168 1.00 0.00 H new ATOM 0 HB3 ARG P 46 4.189 5.731 6.629 1.00 0.00 H new ATOM 0 HG2 ARG P 46 2.880 6.669 4.784 1.00 0.00 H new ATOM 0 HG3 ARG P 46 1.562 5.554 5.081 1.00 0.00 H new ATOM 0 HD2 ARG P 46 1.207 6.581 7.341 1.00 0.00 H new ATOM 0 HD3 ARG P 46 2.519 7.701 7.034 1.00 0.00 H new ATOM 0 HE ARG P 46 1.091 8.380 4.956 1.00 0.00 H new ATOM 0 HH11 ARG P 46 -0.333 7.515 8.079 1.00 0.00 H new ATOM 0 HH12 ARG P 46 -1.784 8.464 7.740 1.00 0.00 H new ATOM 0 HH21 ARG P 46 -0.742 9.461 4.597 1.00 0.00 H new ATOM 0 HH22 ARG P 46 -2.008 9.531 5.827 1.00 0.00 H new ATOM 807 N VAL P 47 5.345 2.680 6.685 1.00 0.00 N ATOM 808 CA VAL P 47 6.628 2.067 7.088 1.00 0.00 C ATOM 809 C VAL P 47 7.092 0.978 6.110 1.00 0.00 C ATOM 810 O VAL P 47 8.299 0.791 5.958 1.00 0.00 O ATOM 811 CB VAL P 47 6.530 1.530 8.536 1.00 0.00 C ATOM 812 CG1 VAL P 47 7.791 0.789 9.004 1.00 0.00 C ATOM 813 CG2 VAL P 47 6.305 2.687 9.521 1.00 0.00 C ATOM 0 H VAL P 47 4.556 2.346 7.239 1.00 0.00 H new ATOM 0 HA VAL P 47 7.391 2.845 7.056 1.00 0.00 H new ATOM 0 HB VAL P 47 5.694 0.830 8.524 1.00 0.00 H new ATOM 0 HG11 VAL P 47 7.650 0.441 10.027 1.00 0.00 H new ATOM 0 HG12 VAL P 47 7.974 -0.065 8.352 1.00 0.00 H new ATOM 0 HG13 VAL P 47 8.646 1.465 8.965 1.00 0.00 H new ATOM 0 HG21 VAL P 47 6.238 2.294 10.535 1.00 0.00 H new ATOM 0 HG22 VAL P 47 7.139 3.386 9.457 1.00 0.00 H new ATOM 0 HG23 VAL P 47 5.378 3.203 9.270 1.00 0.00 H new ATOM 823 N TRP P 48 6.193 0.298 5.384 1.00 0.00 N ATOM 824 CA TRP P 48 6.584 -0.752 4.430 1.00 0.00 C ATOM 825 C TRP P 48 7.510 -0.226 3.321 1.00 0.00 C ATOM 826 O TRP P 48 8.509 -0.868 3.010 1.00 0.00 O ATOM 827 CB TRP P 48 5.347 -1.436 3.832 1.00 0.00 C ATOM 828 CG TRP P 48 5.670 -2.607 2.951 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.758 -3.896 3.354 1.00 0.00 C ATOM 830 CD2 TRP P 48 6.024 -2.613 1.530 1.00 0.00 C ATOM 831 NE1 TRP P 48 6.122 -4.696 2.288 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.325 -3.954 1.143 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.143 -1.618 0.533 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.729 -4.291 -0.158 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.545 -1.946 -0.775 1.00 0.00 C ATOM 836 CH2 TRP P 48 6.842 -3.276 -1.123 1.00 0.00 C ATOM 0 H TRP P 48 5.187 0.457 5.439 1.00 0.00 H new ATOM 0 HA TRP P 48 7.154 -1.492 4.992 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.700 -1.771 4.643 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.782 -0.704 3.255 1.00 0.00 H new ATOM 0 HD1 TRP P 48 5.572 -4.247 4.358 1.00 0.00 H new ATOM 0 HE1 TRP P 48 6.227 -5.709 2.341 1.00 0.00 H new ATOM 0 HE3 TRP P 48 5.922 -0.590 0.779 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.950 -5.317 -0.414 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 6.626 -1.168 -1.520 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.156 -3.516 -2.128 1.00 0.00 H new ATOM 847 N PHE P 49 7.252 0.974 2.785 1.00 0.00 N ATOM 848 CA PHE P 49 8.125 1.593 1.774 1.00 0.00 C ATOM 849 C PHE P 49 9.517 1.923 2.327 1.00 0.00 C ATOM 850 O PHE P 49 10.517 1.664 1.657 1.00 0.00 O ATOM 851 CB PHE P 49 7.449 2.838 1.182 1.00 0.00 C ATOM 852 CG PHE P 49 6.351 2.471 0.209 1.00 0.00 C ATOM 853 CD1 PHE P 49 6.658 2.268 -1.149 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.047 2.235 0.678 1.00 0.00 C ATOM 855 CE1 PHE P 49 5.674 1.786 -2.029 1.00 0.00 C ATOM 856 CE2 PHE P 49 4.064 1.757 -0.202 1.00 0.00 C ATOM 857 CZ PHE P 49 4.380 1.521 -1.549 1.00 0.00 C ATOM 0 H PHE P 49 6.441 1.540 3.035 1.00 0.00 H new ATOM 0 HA PHE P 49 8.276 0.864 0.978 1.00 0.00 H new ATOM 0 HB2 PHE P 49 7.034 3.444 1.987 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.195 3.450 0.675 1.00 0.00 H new ATOM 0 HD1 PHE P 49 7.651 2.483 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE P 49 4.802 2.421 1.713 1.00 0.00 H new ATOM 0 HE1 PHE P 49 5.911 1.620 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.063 1.570 0.158 1.00 0.00 H new ATOM 0 HZ PHE P 49 3.626 1.134 -2.219 1.00 0.00 H new ATOM 867 N LYS P 50 9.600 2.412 3.572 1.00 0.00 N ATOM 868 CA LYS P 50 10.873 2.641 4.279 1.00 0.00 C ATOM 869 C LYS P 50 11.640 1.328 4.489 1.00 0.00 C ATOM 870 O LYS P 50 12.843 1.270 4.238 1.00 0.00 O ATOM 871 CB LYS P 50 10.576 3.380 5.598 1.00 0.00 C ATOM 872 CG LYS P 50 11.847 3.769 6.366 1.00 0.00 C ATOM 873 CD LYS P 50 11.499 4.590 7.619 1.00 0.00 C ATOM 874 CE LYS P 50 12.747 5.084 8.369 1.00 0.00 C ATOM 875 NZ LYS P 50 13.497 3.980 9.027 1.00 0.00 N ATOM 0 H LYS P 50 8.780 2.663 4.124 1.00 0.00 H new ATOM 0 HA LYS P 50 11.529 3.267 3.674 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.999 4.279 5.382 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.955 2.747 6.231 1.00 0.00 H new ATOM 0 HG2 LYS P 50 12.392 2.870 6.655 1.00 0.00 H new ATOM 0 HG3 LYS P 50 12.506 4.347 5.718 1.00 0.00 H new ATOM 0 HD2 LYS P 50 10.891 5.447 7.330 1.00 0.00 H new ATOM 0 HD3 LYS P 50 10.893 3.982 8.291 1.00 0.00 H new ATOM 0 HE2 LYS P 50 13.406 5.599 7.670 1.00 0.00 H new ATOM 0 HE3 LYS P 50 12.448 5.814 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 14.328 4.369 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 12.880 3.503 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 13.808 3.295 8.309 1.00 0.00 H new ATOM 889 N ASN P 51 10.938 0.259 4.871 1.00 0.00 N ATOM 890 CA ASN P 51 11.505 -1.075 5.081 1.00 0.00 C ATOM 891 C ASN P 51 12.018 -1.710 3.771 1.00 0.00 C ATOM 892 O ASN P 51 13.147 -2.206 3.727 1.00 0.00 O ATOM 893 CB ASN P 51 10.433 -1.935 5.777 1.00 0.00 C ATOM 894 CG ASN P 51 10.989 -3.245 6.298 1.00 0.00 C ATOM 895 OD1 ASN P 51 10.886 -4.289 5.669 1.00 0.00 O ATOM 896 ND2 ASN P 51 11.602 -3.233 7.459 1.00 0.00 N ATOM 0 H ASN P 51 9.934 0.298 5.047 1.00 0.00 H new ATOM 0 HA ASN P 51 12.388 -1.006 5.716 1.00 0.00 H new ATOM 0 HB2 ASN P 51 10.001 -1.372 6.605 1.00 0.00 H new ATOM 0 HB3 ASN P 51 9.625 -2.140 5.075 1.00 0.00 H new ATOM 0 HD21 ASN P 51 11.993 -4.095 7.838 1.00 0.00 H new ATOM 0 HD22 ASN P 51 11.687 -2.361 7.982 1.00 0.00 H new ATOM 903 N ARG P 52 11.241 -1.621 2.681 1.00 0.00 N ATOM 904 CA ARG P 52 11.620 -2.086 1.332 1.00 0.00 C ATOM 905 C ARG P 52 12.834 -1.312 0.812 1.00 0.00 C ATOM 906 O ARG P 52 13.797 -1.929 0.363 1.00 0.00 O ATOM 907 CB ARG P 52 10.396 -1.975 0.395 1.00 0.00 C ATOM 908 CG ARG P 52 10.411 -2.850 -0.875 1.00 0.00 C ATOM 909 CD ARG P 52 11.583 -2.628 -1.838 1.00 0.00 C ATOM 910 NE ARG P 52 11.322 -3.236 -3.156 1.00 0.00 N ATOM 911 CZ ARG P 52 12.067 -3.151 -4.240 1.00 0.00 C ATOM 912 NH1 ARG P 52 13.199 -2.511 -4.275 1.00 0.00 N ATOM 913 NH2 ARG P 52 11.653 -3.725 -5.326 1.00 0.00 N ATOM 0 H ARG P 52 10.306 -1.213 2.711 1.00 0.00 H new ATOM 0 HA ARG P 52 11.920 -3.133 1.370 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.504 -2.226 0.970 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.296 -0.934 0.089 1.00 0.00 H new ATOM 0 HG2 ARG P 52 10.412 -3.896 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG P 52 9.483 -2.678 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.759 -1.559 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG P 52 12.491 -3.055 -1.412 1.00 0.00 H new ATOM 0 HE ARG P 52 10.467 -3.785 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG P 52 13.548 -2.045 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG P 52 13.738 -2.475 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG P 52 10.767 -4.230 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG P 52 12.214 -3.672 -6.176 1.00 0.00 H new ATOM 927 N ARG P 53 12.844 0.022 0.941 1.00 0.00 N ATOM 928 CA ARG P 53 13.975 0.884 0.545 1.00 0.00 C ATOM 929 C ARG P 53 15.245 0.541 1.326 1.00 0.00 C ATOM 930 O ARG P 53 16.302 0.389 0.716 1.00 0.00 O ATOM 931 CB ARG P 53 13.554 2.364 0.677 1.00 0.00 C ATOM 932 CG ARG P 53 14.489 3.379 -0.007 1.00 0.00 C ATOM 933 CD ARG P 53 15.727 3.773 0.812 1.00 0.00 C ATOM 934 NE ARG P 53 16.562 4.727 0.063 1.00 0.00 N ATOM 935 CZ ARG P 53 17.776 5.142 0.369 1.00 0.00 C ATOM 936 NH1 ARG P 53 18.387 4.801 1.464 1.00 0.00 N ATOM 937 NH2 ARG P 53 18.420 5.913 -0.453 1.00 0.00 N ATOM 0 H ARG P 53 12.058 0.543 1.328 1.00 0.00 H new ATOM 0 HA ARG P 53 14.227 0.702 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG P 53 12.554 2.478 0.260 1.00 0.00 H new ATOM 0 HB3 ARG P 53 13.488 2.613 1.736 1.00 0.00 H new ATOM 0 HG2 ARG P 53 14.819 2.963 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG P 53 13.919 4.280 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG P 53 15.418 4.217 1.758 1.00 0.00 H new ATOM 0 HD3 ARG P 53 16.309 2.883 1.053 1.00 0.00 H new ATOM 0 HE ARG P 53 16.155 5.111 -0.790 1.00 0.00 H new ATOM 0 HH11 ARG P 53 17.927 4.185 2.134 1.00 0.00 H new ATOM 0 HH12 ARG P 53 19.327 5.150 1.654 1.00 0.00 H new ATOM 0 HH21 ARG P 53 17.987 6.196 -1.332 1.00 0.00 H new ATOM 0 HH22 ARG P 53 19.359 6.236 -0.220 1.00 0.00 H new ATOM 951 N ALA P 54 15.147 0.351 2.642 1.00 0.00 N ATOM 952 CA ALA P 54 16.276 -0.035 3.492 1.00 0.00 C ATOM 953 C ALA P 54 16.863 -1.409 3.109 1.00 0.00 C ATOM 954 O ALA P 54 18.081 -1.537 2.981 1.00 0.00 O ATOM 955 CB ALA P 54 15.822 0.001 4.957 1.00 0.00 C ATOM 0 H ALA P 54 14.272 0.462 3.154 1.00 0.00 H new ATOM 0 HA ALA P 54 17.086 0.678 3.343 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.653 -0.284 5.602 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.494 1.009 5.212 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.996 -0.696 5.099 1.00 0.00 H new ATOM 961 N LYS P 55 16.016 -2.415 2.847 1.00 0.00 N ATOM 962 CA LYS P 55 16.439 -3.750 2.374 1.00 0.00 C ATOM 963 C LYS P 55 17.051 -3.721 0.967 1.00 0.00 C ATOM 964 O LYS P 55 17.996 -4.460 0.692 1.00 0.00 O ATOM 965 CB LYS P 55 15.233 -4.705 2.421 1.00 0.00 C ATOM 966 CG LYS P 55 14.904 -5.134 3.859 1.00 0.00 C ATOM 967 CD LYS P 55 13.567 -5.882 3.915 1.00 0.00 C ATOM 968 CE LYS P 55 13.336 -6.437 5.324 1.00 0.00 C ATOM 969 NZ LYS P 55 11.942 -6.923 5.490 1.00 0.00 N ATOM 0 H LYS P 55 15.006 -2.328 2.957 1.00 0.00 H new ATOM 0 HA LYS P 55 17.227 -4.104 3.039 1.00 0.00 H new ATOM 0 HB2 LYS P 55 14.364 -4.217 1.979 1.00 0.00 H new ATOM 0 HB3 LYS P 55 15.444 -5.588 1.817 1.00 0.00 H new ATOM 0 HG2 LYS P 55 15.699 -5.773 4.243 1.00 0.00 H new ATOM 0 HG3 LYS P 55 14.861 -4.256 4.504 1.00 0.00 H new ATOM 0 HD2 LYS P 55 12.753 -5.210 3.642 1.00 0.00 H new ATOM 0 HD3 LYS P 55 13.565 -6.696 3.190 1.00 0.00 H new ATOM 0 HE2 LYS P 55 14.033 -7.253 5.515 1.00 0.00 H new ATOM 0 HE3 LYS P 55 13.543 -5.662 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 11.880 -7.515 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 11.300 -6.110 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 11.669 -7.485 4.659 1.00 0.00 H new ATOM 983 N TRP P 56 16.539 -2.854 0.092 1.00 0.00 N ATOM 984 CA TRP P 56 16.996 -2.682 -1.292 1.00 0.00 C ATOM 985 C TRP P 56 18.359 -1.973 -1.395 1.00 0.00 C ATOM 986 O TRP P 56 19.239 -2.439 -2.124 1.00 0.00 O ATOM 987 CB TRP P 56 15.897 -1.929 -2.053 1.00 0.00 C ATOM 988 CG TRP P 56 16.221 -1.480 -3.445 1.00 0.00 C ATOM 989 CD1 TRP P 56 16.597 -2.279 -4.469 1.00 0.00 C ATOM 990 CD2 TRP P 56 16.213 -0.120 -3.980 1.00 0.00 C ATOM 991 NE1 TRP P 56 16.833 -1.510 -5.594 1.00 0.00 N ATOM 992 CE2 TRP P 56 16.633 -0.169 -5.343 1.00 0.00 C ATOM 993 CE3 TRP P 56 15.913 1.153 -3.446 1.00 0.00 C ATOM 994 CZ2 TRP P 56 16.776 0.986 -6.127 1.00 0.00 C ATOM 995 CZ3 TRP P 56 16.052 2.320 -4.223 1.00 0.00 C ATOM 996 CH2 TRP P 56 16.495 2.239 -5.556 1.00 0.00 C ATOM 0 H TRP P 56 15.769 -2.230 0.333 1.00 0.00 H new ATOM 0 HA TRP P 56 17.163 -3.662 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.017 -2.570 -2.100 1.00 0.00 H new ATOM 0 HB3 TRP P 56 15.621 -1.051 -1.469 1.00 0.00 H new ATOM 0 HD1 TRP P 56 16.698 -3.353 -4.416 1.00 0.00 H new ATOM 0 HE1 TRP P 56 17.119 -1.888 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP P 56 15.571 1.233 -2.425 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 17.098 0.913 -7.155 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 15.817 3.282 -3.793 1.00 0.00 H new ATOM 0 HH2 TRP P 56 16.619 3.139 -6.140 1.00 0.00 H new ATOM 1007 N ARG P 57 18.561 -0.874 -0.650 1.00 0.00 N ATOM 1008 CA ARG P 57 19.800 -0.066 -0.681 1.00 0.00 C ATOM 1009 C ARG P 57 20.883 -0.539 0.293 1.00 0.00 C ATOM 1010 O ARG P 57 22.063 -0.354 -0.002 1.00 0.00 O ATOM 1011 CB ARG P 57 19.447 1.421 -0.477 1.00 0.00 C ATOM 1012 CG ARG P 57 18.853 2.046 -1.751 1.00 0.00 C ATOM 1013 CD ARG P 57 19.898 2.378 -2.827 1.00 0.00 C ATOM 1014 NE ARG P 57 20.744 3.517 -2.420 1.00 0.00 N ATOM 1015 CZ ARG P 57 22.026 3.712 -2.664 1.00 0.00 C ATOM 1016 NH1 ARG P 57 22.782 2.876 -3.315 1.00 0.00 N ATOM 1017 NH2 ARG P 57 22.582 4.793 -2.226 1.00 0.00 N ATOM 0 H ARG P 57 17.862 -0.514 0.000 1.00 0.00 H new ATOM 0 HA ARG P 57 20.248 -0.202 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG P 57 18.734 1.516 0.342 1.00 0.00 H new ATOM 0 HB3 ARG P 57 20.342 1.971 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG P 57 18.118 1.360 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG P 57 18.320 2.958 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG P 57 20.524 1.505 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG P 57 19.395 2.613 -3.765 1.00 0.00 H new ATOM 0 HE ARG P 57 20.278 4.247 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG P 57 22.389 2.005 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG P 57 23.767 3.092 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG P 57 22.031 5.474 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG P 57 23.572 4.965 -2.403 1.00 0.00 H new ATOM 1031 N LYS P 58 20.499 -1.170 1.412 1.00 0.00 N ATOM 1032 CA LYS P 58 21.356 -1.806 2.435 1.00 0.00 C ATOM 1033 C LYS P 58 22.593 -0.974 2.818 1.00 0.00 C ATOM 1034 O LYS P 58 22.478 -0.054 3.632 1.00 0.00 O ATOM 1035 CB LYS P 58 21.622 -3.277 2.046 1.00 0.00 C ATOM 1036 CG LYS P 58 22.203 -4.102 3.207 1.00 0.00 C ATOM 1037 CD LYS P 58 22.382 -5.572 2.796 1.00 0.00 C ATOM 1038 CE LYS P 58 22.846 -6.463 3.958 1.00 0.00 C ATOM 1039 NZ LYS P 58 24.242 -6.174 4.384 1.00 0.00 N ATOM 0 H LYS P 58 19.510 -1.258 1.647 1.00 0.00 H new ATOM 0 HA LYS P 58 20.816 -1.831 3.382 1.00 0.00 H new ATOM 0 HB2 LYS P 58 20.691 -3.734 1.711 1.00 0.00 H new ATOM 0 HB3 LYS P 58 22.313 -3.307 1.203 1.00 0.00 H new ATOM 0 HG2 LYS P 58 23.163 -3.685 3.510 1.00 0.00 H new ATOM 0 HG3 LYS P 58 21.541 -4.039 4.071 1.00 0.00 H new ATOM 0 HD2 LYS P 58 21.438 -5.953 2.407 1.00 0.00 H new ATOM 0 HD3 LYS P 58 23.109 -5.632 1.986 1.00 0.00 H new ATOM 0 HE2 LYS P 58 22.176 -6.324 4.806 1.00 0.00 H new ATOM 0 HE3 LYS P 58 22.771 -7.509 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 24.502 -6.803 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 24.889 -6.332 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 24.312 -5.184 4.695 1.00 0.00 H new ATOM 1053 N ARG P 59 23.762 -1.262 2.230 1.00 0.00 N ATOM 1054 CA ARG P 59 25.013 -0.499 2.396 1.00 0.00 C ATOM 1055 C ARG P 59 25.009 0.717 1.459 1.00 0.00 C ATOM 1056 O ARG P 59 25.602 0.701 0.379 1.00 0.00 O ATOM 1057 CB ARG P 59 26.213 -1.458 2.225 1.00 0.00 C ATOM 1058 CG ARG P 59 27.551 -0.942 2.794 1.00 0.00 C ATOM 1059 CD ARG P 59 28.189 0.196 1.987 1.00 0.00 C ATOM 1060 NE ARG P 59 29.534 0.535 2.490 1.00 0.00 N ATOM 1061 CZ ARG P 59 30.435 1.284 1.877 1.00 0.00 C ATOM 1062 NH1 ARG P 59 30.228 1.789 0.693 1.00 0.00 N ATOM 1063 NH2 ARG P 59 31.578 1.540 2.448 1.00 0.00 N ATOM 0 H ARG P 59 23.870 -2.060 1.603 1.00 0.00 H new ATOM 0 HA ARG P 59 25.103 -0.083 3.399 1.00 0.00 H new ATOM 0 HB2 ARG P 59 25.972 -2.405 2.707 1.00 0.00 H new ATOM 0 HB3 ARG P 59 26.344 -1.665 1.163 1.00 0.00 H new ATOM 0 HG2 ARG P 59 27.389 -0.599 3.816 1.00 0.00 H new ATOM 0 HG3 ARG P 59 28.254 -1.773 2.845 1.00 0.00 H new ATOM 0 HD2 ARG P 59 28.255 -0.094 0.938 1.00 0.00 H new ATOM 0 HD3 ARG P 59 27.550 1.078 2.034 1.00 0.00 H new ATOM 0 HE ARG P 59 29.794 0.154 3.400 1.00 0.00 H new ATOM 0 HH11 ARG P 59 29.348 1.611 0.209 1.00 0.00 H new ATOM 0 HH12 ARG P 59 30.946 2.362 0.250 1.00 0.00 H new ATOM 0 HH21 ARG P 59 31.782 1.162 3.373 1.00 0.00 H new ATOM 0 HH22 ARG P 59 32.269 2.118 1.970 1.00 0.00 H new ATOM 1077 N GLU P 60 24.334 1.781 1.885 1.00 0.00 N ATOM 1078 CA GLU P 60 24.369 3.097 1.230 1.00 0.00 C ATOM 1079 C GLU P 60 25.770 3.735 1.359 1.00 0.00 C ATOM 1080 O GLU P 60 26.452 3.574 2.372 1.00 0.00 O ATOM 1081 CB GLU P 60 23.228 3.959 1.796 1.00 0.00 C ATOM 1082 CG GLU P 60 23.110 5.356 1.165 1.00 0.00 C ATOM 1083 CD GLU P 60 21.638 5.776 1.004 1.00 0.00 C ATOM 1084 OE1 GLU P 60 20.902 5.893 2.011 1.00 0.00 O ATOM 1085 OE2 GLU P 60 21.174 5.940 -0.150 1.00 0.00 O ATOM 0 H GLU P 60 23.735 1.758 2.710 1.00 0.00 H new ATOM 0 HA GLU P 60 24.200 3.003 0.157 1.00 0.00 H new ATOM 0 HB2 GLU P 60 22.286 3.430 1.655 1.00 0.00 H new ATOM 0 HB3 GLU P 60 23.373 4.071 2.871 1.00 0.00 H new ATOM 0 HG2 GLU P 60 23.632 6.083 1.787 1.00 0.00 H new ATOM 0 HG3 GLU P 60 23.600 5.360 0.191 1.00 0.00 H new ATOM 1092 N GLU P 61 26.223 4.443 0.322 1.00 0.00 N ATOM 1093 CA GLU P 61 27.615 4.905 0.181 1.00 0.00 C ATOM 1094 C GLU P 61 27.952 6.138 1.042 1.00 0.00 C ATOM 1095 O GLU P 61 29.123 6.379 1.340 1.00 0.00 O ATOM 1096 CB GLU P 61 27.943 5.192 -1.302 1.00 0.00 C ATOM 1097 CG GLU P 61 27.562 4.085 -2.310 1.00 0.00 C ATOM 1098 CD GLU P 61 26.068 4.057 -2.703 1.00 0.00 C ATOM 1099 OE1 GLU P 61 25.294 4.949 -2.285 1.00 0.00 O ATOM 1100 OE2 GLU P 61 25.621 3.126 -3.413 1.00 0.00 O ATOM 0 H GLU P 61 25.627 4.718 -0.459 1.00 0.00 H new ATOM 0 HA GLU P 61 28.238 4.090 0.551 1.00 0.00 H new ATOM 0 HB2 GLU P 61 27.435 6.111 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU P 61 29.014 5.379 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU P 61 28.159 4.213 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU P 61 27.830 3.118 -1.885 1.00 0.00 H new ATOM 1107 N PHE P 62 26.935 6.911 1.450 1.00 0.00 N ATOM 1108 CA PHE P 62 27.041 8.114 2.297 1.00 0.00 C ATOM 1109 C PHE P 62 28.019 9.194 1.767 1.00 0.00 C ATOM 1110 O PHE P 62 28.617 9.956 2.532 1.00 0.00 O ATOM 1111 CB PHE P 62 27.269 7.687 3.762 1.00 0.00 C ATOM 1112 CG PHE P 62 26.866 8.717 4.804 1.00 0.00 C ATOM 1113 CD1 PHE P 62 25.502 8.973 5.045 1.00 0.00 C ATOM 1114 CD2 PHE P 62 27.844 9.406 5.549 1.00 0.00 C ATOM 1115 CE1 PHE P 62 25.119 9.917 6.016 1.00 0.00 C ATOM 1116 CE2 PHE P 62 27.461 10.350 6.520 1.00 0.00 C ATOM 1117 CZ PHE P 62 26.098 10.606 6.753 1.00 0.00 C ATOM 0 H PHE P 62 25.971 6.707 1.188 1.00 0.00 H new ATOM 0 HA PHE P 62 26.091 8.646 2.252 1.00 0.00 H new ATOM 0 HB2 PHE P 62 26.712 6.769 3.947 1.00 0.00 H new ATOM 0 HB3 PHE P 62 28.325 7.452 3.895 1.00 0.00 H new ATOM 0 HD1 PHE P 62 24.747 8.443 4.483 1.00 0.00 H new ATOM 0 HD2 PHE P 62 28.891 9.209 5.374 1.00 0.00 H new ATOM 0 HE1 PHE P 62 24.072 10.112 6.195 1.00 0.00 H new ATOM 0 HE2 PHE P 62 28.214 10.878 7.086 1.00 0.00 H new ATOM 0 HZ PHE P 62 25.804 11.331 7.497 1.00 0.00 H new ATOM 1127 N ILE P 63 28.192 9.267 0.441 1.00 0.00 N ATOM 1128 CA ILE P 63 29.069 10.235 -0.242 1.00 0.00 C ATOM 1129 C ILE P 63 28.467 11.651 -0.284 1.00 0.00 C ATOM 1130 O ILE P 63 27.245 11.829 -0.268 1.00 0.00 O ATOM 1131 CB ILE P 63 29.471 9.742 -1.654 1.00 0.00 C ATOM 1132 CG1 ILE P 63 28.247 9.486 -2.566 1.00 0.00 C ATOM 1133 CG2 ILE P 63 30.367 8.497 -1.528 1.00 0.00 C ATOM 1134 CD1 ILE P 63 28.612 9.145 -4.016 1.00 0.00 C ATOM 0 H ILE P 63 27.715 8.639 -0.206 1.00 0.00 H new ATOM 0 HA ILE P 63 29.979 10.304 0.354 1.00 0.00 H new ATOM 0 HB ILE P 63 30.037 10.535 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE P 63 27.660 8.669 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE P 63 27.611 10.371 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE P 63 30.650 8.150 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE P 63 31.264 8.750 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE P 63 29.822 7.708 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE P 63 27.701 8.980 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE P 63 29.173 9.971 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE P 63 29.222 8.242 -4.035 1.00 0.00 H new ATOM 1146 N VAL P 64 29.332 12.667 -0.359 1.00 0.00 N ATOM 1147 CA VAL P 64 28.942 14.087 -0.468 1.00 0.00 C ATOM 1148 C VAL P 64 28.496 14.466 -1.888 1.00 0.00 C ATOM 1149 O VAL P 64 28.941 13.868 -2.872 1.00 0.00 O ATOM 1150 CB VAL P 64 30.053 15.034 0.038 1.00 0.00 C ATOM 1151 CG1 VAL P 64 30.301 14.833 1.539 1.00 0.00 C ATOM 1152 CG2 VAL P 64 31.386 14.876 -0.706 1.00 0.00 C ATOM 0 H VAL P 64 30.343 12.529 -0.346 1.00 0.00 H new ATOM 0 HA VAL P 64 28.078 14.214 0.184 1.00 0.00 H new ATOM 0 HB VAL P 64 29.683 16.040 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL P 64 31.087 15.511 1.872 1.00 0.00 H new ATOM 0 HG12 VAL P 64 29.384 15.042 2.090 1.00 0.00 H new ATOM 0 HG13 VAL P 64 30.608 13.803 1.722 1.00 0.00 H new ATOM 0 HG21 VAL P 64 32.117 15.573 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL P 64 31.751 13.856 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL P 64 31.239 15.087 -1.765 1.00 0.00 H new ATOM 1162 N THR P 65 27.623 15.473 -1.995 1.00 0.00 N ATOM 1163 CA THR P 65 27.048 15.968 -3.269 1.00 0.00 C ATOM 1164 C THR P 65 27.349 17.455 -3.560 1.00 0.00 C ATOM 1165 O THR P 65 27.149 17.919 -4.684 1.00 0.00 O ATOM 1166 CB THR P 65 25.539 15.646 -3.303 1.00 0.00 C ATOM 1167 OG1 THR P 65 24.994 15.770 -4.601 1.00 0.00 O ATOM 1168 CG2 THR P 65 24.701 16.515 -2.361 1.00 0.00 C ATOM 0 H THR P 65 27.282 15.986 -1.182 1.00 0.00 H new ATOM 0 HA THR P 65 27.544 15.440 -4.084 1.00 0.00 H new ATOM 0 HB THR P 65 25.485 14.611 -2.966 1.00 0.00 H new ATOM 0 HG1 THR P 65 25.544 16.386 -5.129 1.00 0.00 H new ATOM 0 HG21 THR P 65 23.652 16.230 -2.440 1.00 0.00 H new ATOM 0 HG22 THR P 65 25.040 16.371 -1.335 1.00 0.00 H new ATOM 0 HG23 THR P 65 24.814 17.564 -2.636 1.00 0.00 H new ATOM 1176 N ASP P 66 27.883 18.191 -2.570 1.00 0.00 N ATOM 1177 CA ASP P 66 28.229 19.632 -2.607 1.00 0.00 C ATOM 1178 C ASP P 66 27.116 20.554 -3.173 1.00 0.00 C ATOM 1179 O ASP P 66 26.077 20.696 -2.486 1.00 0.00 O ATOM 1180 CB ASP P 66 29.615 19.821 -3.267 1.00 0.00 C ATOM 1181 CG ASP P 66 30.140 21.276 -3.227 1.00 0.00 C ATOM 1182 OD1 ASP P 66 30.012 21.951 -2.172 1.00 0.00 O ATOM 1183 OD2 ASP P 66 30.749 21.734 -4.228 1.00 0.00 O ATOM 1184 OXT ASP P 66 27.274 21.148 -4.265 1.00 0.00 O ATOM 0 H ASP P 66 28.100 17.775 -1.664 1.00 0.00 H new ATOM 0 HA ASP P 66 28.302 19.976 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP P 66 30.335 19.172 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP P 66 29.559 19.495 -4.305 1.00 0.00 H new TER 1189 ASP P 66