USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 120:sc= 0 USER MOD Set 1.2: B 125 MET CE :methyl -157:sc= 0 (180deg=-0.388) USER MOD Set 2.1: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 136 LYS NZ :NH3+ -135:sc= 0.139 (180deg=0) USER MOD Set 2.3: B 137 TYR OH : rot 180:sc= 0.0906 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00335) USER MOD Single : A 26 MET CE :methyl 168:sc=-0.00268 (180deg=-0.234) USER MOD Single : A 28 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 35 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.091) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.04 (180deg=1.02) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 39 SER OG : rot 71:sc= 0.951 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.53) USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= 1.45 (180deg=0.112) USER MOD Single : B 102 SER OG : rot 180:sc= -0.054 USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.13) USER MOD Single : B 109 SER OG : rot -52:sc= 0.805 USER MOD Single : B 111 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : B 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 117 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.902) USER MOD Single : B 126 MET CE :methyl 164:sc= -0.0897 (180deg=-0.433) USER MOD Single : B 128 GLN : amide:sc= -0.964 X(o=-0.96,f=-0.59) USER MOD Single : B 135 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : B 138 GLN : amide:sc= -0.0685 K(o=-0.069,f=-0.8) USER MOD Single : B 139 SER OG : rot 84:sc= 1.26 USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 142 GLN : amide:sc= 0.283 X(o=0.28,f=-0.089) USER MOD Single : B 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.609 -0.849 13.848 1.00 0.00 N ATOM 2 CA GLY A 1 -15.539 -1.791 14.480 1.00 0.00 C ATOM 3 C GLY A 1 -16.946 -1.583 13.952 1.00 0.00 C ATOM 4 O GLY A 1 -17.812 -1.069 14.665 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.651 -1.005 14.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.609 -0.999 12.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.907 0.125 14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.218 -2.814 14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.526 -1.654 15.561 1.00 0.00 H new ATOM 8 N SER A 2 -17.163 -1.916 12.685 1.00 0.00 N ATOM 9 CA SER A 2 -18.425 -1.817 11.973 1.00 0.00 C ATOM 10 C SER A 2 -18.424 -2.914 10.900 1.00 0.00 C ATOM 11 O SER A 2 -17.347 -3.372 10.497 1.00 0.00 O ATOM 12 CB SER A 2 -18.540 -0.429 11.316 1.00 0.00 C ATOM 13 OG SER A 2 -18.245 0.629 12.223 1.00 0.00 O ATOM 0 H SER A 2 -16.416 -2.284 12.095 1.00 0.00 H new ATOM 0 HA SER A 2 -19.271 -1.943 12.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.860 -0.375 10.466 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.549 -0.298 10.925 1.00 0.00 H new ATOM 0 HG SER A 2 -18.330 1.489 11.761 1.00 0.00 H new ATOM 19 N ASP A 3 -19.608 -3.354 10.477 1.00 0.00 N ATOM 20 CA ASP A 3 -19.784 -4.372 9.439 1.00 0.00 C ATOM 21 C ASP A 3 -20.137 -3.628 8.161 1.00 0.00 C ATOM 22 O ASP A 3 -20.656 -2.510 8.221 1.00 0.00 O ATOM 23 CB ASP A 3 -20.951 -5.318 9.758 1.00 0.00 C ATOM 24 CG ASP A 3 -20.665 -6.297 10.888 1.00 0.00 C ATOM 25 OD1 ASP A 3 -19.619 -6.987 10.829 1.00 0.00 O ATOM 26 OD2 ASP A 3 -21.508 -6.406 11.802 1.00 0.00 O ATOM 0 H ASP A 3 -20.490 -3.007 10.853 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.873 -4.966 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.826 -4.723 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.205 -5.881 8.860 1.00 0.00 H new ATOM 31 N TYR A 4 -19.950 -4.260 7.005 1.00 0.00 N ATOM 32 CA TYR A 4 -20.260 -3.642 5.721 1.00 0.00 C ATOM 33 C TYR A 4 -21.275 -4.470 4.936 1.00 0.00 C ATOM 34 O TYR A 4 -21.916 -3.941 4.039 1.00 0.00 O ATOM 35 CB TYR A 4 -18.946 -3.361 4.985 1.00 0.00 C ATOM 36 CG TYR A 4 -18.027 -2.453 5.788 1.00 0.00 C ATOM 37 CD1 TYR A 4 -18.341 -1.090 5.978 1.00 0.00 C ATOM 38 CD2 TYR A 4 -16.916 -3.010 6.446 1.00 0.00 C ATOM 39 CE1 TYR A 4 -17.536 -0.293 6.815 1.00 0.00 C ATOM 40 CE2 TYR A 4 -16.129 -2.226 7.307 1.00 0.00 C ATOM 41 CZ TYR A 4 -16.430 -0.860 7.488 1.00 0.00 C ATOM 42 OH TYR A 4 -15.652 -0.111 8.319 1.00 0.00 O ATOM 0 H TYR A 4 -19.582 -5.208 6.933 1.00 0.00 H new ATOM 0 HA TYR A 4 -20.757 -2.682 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -18.437 -4.303 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.162 -2.899 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -19.198 -0.659 5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.665 -4.049 6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.765 0.755 6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.294 -2.669 7.830 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.940 -0.671 8.693 1.00 0.00 H new ATOM 52 N GLU A 5 -21.529 -5.719 5.317 1.00 0.00 N ATOM 53 CA GLU A 5 -22.495 -6.588 4.640 1.00 0.00 C ATOM 54 C GLU A 5 -23.887 -5.943 4.626 1.00 0.00 C ATOM 55 O GLU A 5 -24.549 -5.906 3.588 1.00 0.00 O ATOM 56 CB GLU A 5 -22.521 -7.936 5.366 1.00 0.00 C ATOM 57 CG GLU A 5 -21.224 -8.723 5.145 1.00 0.00 C ATOM 58 CD GLU A 5 -20.890 -9.593 6.350 1.00 0.00 C ATOM 59 OE1 GLU A 5 -21.356 -10.756 6.382 1.00 0.00 O ATOM 60 OE2 GLU A 5 -20.133 -9.126 7.246 1.00 0.00 O ATOM 0 H GLU A 5 -21.068 -6.163 6.111 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.198 -6.737 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.670 -7.772 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -23.368 -8.524 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.323 -9.349 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.404 -8.030 4.956 1.00 0.00 H new ATOM 67 N PHE A 6 -24.303 -5.374 5.762 1.00 0.00 N ATOM 68 CA PHE A 6 -25.596 -4.719 5.939 1.00 0.00 C ATOM 69 C PHE A 6 -25.734 -3.416 5.143 1.00 0.00 C ATOM 70 O PHE A 6 -26.821 -2.835 5.128 1.00 0.00 O ATOM 71 CB PHE A 6 -25.829 -4.434 7.430 1.00 0.00 C ATOM 72 CG PHE A 6 -25.814 -5.661 8.316 1.00 0.00 C ATOM 73 CD1 PHE A 6 -26.907 -6.548 8.313 1.00 0.00 C ATOM 74 CD2 PHE A 6 -24.709 -5.910 9.150 1.00 0.00 C ATOM 75 CE1 PHE A 6 -26.887 -7.687 9.136 1.00 0.00 C ATOM 76 CE2 PHE A 6 -24.691 -7.049 9.973 1.00 0.00 C ATOM 77 CZ PHE A 6 -25.775 -7.942 9.957 1.00 0.00 C ATOM 0 H PHE A 6 -23.730 -5.358 6.606 1.00 0.00 H new ATOM 0 HA PHE A 6 -26.349 -5.406 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -25.063 -3.741 7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -26.789 -3.931 7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -27.760 -6.354 7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -23.874 -5.225 9.158 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -27.726 -8.367 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -23.845 -7.237 10.617 1.00 0.00 H new ATOM 0 HZ PHE A 6 -25.754 -8.826 10.577 1.00 0.00 H new ATOM 87 N LEU A 7 -24.671 -2.895 4.512 1.00 0.00 N ATOM 88 CA LEU A 7 -24.794 -1.656 3.736 1.00 0.00 C ATOM 89 C LEU A 7 -25.702 -1.878 2.522 1.00 0.00 C ATOM 90 O LEU A 7 -26.225 -0.917 1.964 1.00 0.00 O ATOM 91 CB LEU A 7 -23.425 -1.040 3.385 1.00 0.00 C ATOM 92 CG LEU A 7 -22.690 -1.650 2.171 1.00 0.00 C ATOM 93 CD1 LEU A 7 -23.032 -0.955 0.854 1.00 0.00 C ATOM 94 CD2 LEU A 7 -21.171 -1.506 2.327 1.00 0.00 C ATOM 0 H LEU A 7 -23.736 -3.303 4.523 1.00 0.00 H new ATOM 0 HA LEU A 7 -25.277 -0.905 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -23.567 0.025 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -22.777 -1.128 4.257 1.00 0.00 H new ATOM 0 HG LEU A 7 -23.011 -2.691 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.484 -1.429 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -24.103 -1.036 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -22.753 0.097 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.673 -1.942 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.911 -0.450 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.847 -2.023 3.230 1.00 0.00 H new ATOM 106 N LYS A 8 -25.963 -3.132 2.134 1.00 0.00 N ATOM 107 CA LYS A 8 -26.823 -3.493 1.012 1.00 0.00 C ATOM 108 C LYS A 8 -28.263 -2.966 1.150 1.00 0.00 C ATOM 109 O LYS A 8 -28.991 -2.972 0.159 1.00 0.00 O ATOM 110 CB LYS A 8 -26.786 -5.021 0.879 1.00 0.00 C ATOM 111 CG LYS A 8 -27.200 -5.513 -0.518 1.00 0.00 C ATOM 112 CD LYS A 8 -26.841 -6.991 -0.718 1.00 0.00 C ATOM 113 CE LYS A 8 -27.620 -7.870 0.260 1.00 0.00 C ATOM 114 NZ LYS A 8 -27.456 -9.308 -0.015 1.00 0.00 N ATOM 0 H LYS A 8 -25.568 -3.944 2.609 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.446 -3.017 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.779 -5.375 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.449 -5.461 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.273 -5.376 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.705 -4.910 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.065 -7.290 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.770 -7.134 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.288 -7.658 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.678 -7.613 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.004 -9.858 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.797 -9.519 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -26.450 -9.563 0.059 1.00 0.00 H new ATOM 128 N SER A 9 -28.673 -2.480 2.326 1.00 0.00 N ATOM 129 CA SER A 9 -30.008 -1.946 2.588 1.00 0.00 C ATOM 130 C SER A 9 -30.029 -0.421 2.814 1.00 0.00 C ATOM 131 O SER A 9 -31.073 0.110 3.190 1.00 0.00 O ATOM 132 CB SER A 9 -30.599 -2.696 3.786 1.00 0.00 C ATOM 133 OG SER A 9 -30.563 -4.099 3.559 1.00 0.00 O ATOM 0 H SER A 9 -28.065 -2.448 3.144 1.00 0.00 H new ATOM 0 HA SER A 9 -30.618 -2.105 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.038 -2.453 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.627 -2.374 3.953 1.00 0.00 H new ATOM 0 HG SER A 9 -30.942 -4.565 4.333 1.00 0.00 H new ATOM 139 N TRP A 10 -28.899 0.276 2.665 1.00 0.00 N ATOM 140 CA TRP A 10 -28.788 1.724 2.834 1.00 0.00 C ATOM 141 C TRP A 10 -29.364 2.469 1.615 1.00 0.00 C ATOM 142 O TRP A 10 -29.978 1.889 0.713 1.00 0.00 O ATOM 143 CB TRP A 10 -27.293 2.079 3.019 1.00 0.00 C ATOM 144 CG TRP A 10 -26.712 2.054 4.404 1.00 0.00 C ATOM 145 CD1 TRP A 10 -25.519 2.612 4.703 1.00 0.00 C ATOM 146 CD2 TRP A 10 -27.239 1.551 5.680 1.00 0.00 C ATOM 147 NE1 TRP A 10 -25.294 2.549 6.058 1.00 0.00 N ATOM 148 CE2 TRP A 10 -26.323 1.922 6.714 1.00 0.00 C ATOM 149 CE3 TRP A 10 -28.382 0.829 6.095 1.00 0.00 C ATOM 150 CZ2 TRP A 10 -26.539 1.624 8.068 1.00 0.00 C ATOM 151 CZ3 TRP A 10 -28.607 0.515 7.450 1.00 0.00 C ATOM 152 CH2 TRP A 10 -27.695 0.919 8.440 1.00 0.00 C ATOM 0 H TRP A 10 -28.013 -0.165 2.417 1.00 0.00 H new ATOM 0 HA TRP A 10 -29.361 2.032 3.708 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -26.712 1.392 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -27.138 3.079 2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -24.841 3.045 3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -24.464 2.922 6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -29.101 0.510 5.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -25.824 1.933 8.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -29.489 -0.042 7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -27.882 0.689 9.479 1.00 0.00 H new ATOM 163 N THR A 11 -29.271 3.800 1.637 1.00 0.00 N ATOM 164 CA THR A 11 -29.693 4.665 0.551 1.00 0.00 C ATOM 165 C THR A 11 -28.532 4.662 -0.452 1.00 0.00 C ATOM 166 O THR A 11 -27.388 4.356 -0.090 1.00 0.00 O ATOM 167 CB THR A 11 -29.956 6.090 1.078 1.00 0.00 C ATOM 168 OG1 THR A 11 -29.072 6.409 2.138 1.00 0.00 O ATOM 169 CG2 THR A 11 -31.387 6.223 1.592 1.00 0.00 C ATOM 0 H THR A 11 -28.890 4.312 2.433 1.00 0.00 H new ATOM 0 HA THR A 11 -30.619 4.321 0.090 1.00 0.00 H new ATOM 0 HB THR A 11 -29.796 6.775 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.256 7.318 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 11 -31.549 7.237 1.959 1.00 0.00 H new ATOM 0 HG22 THR A 11 -32.086 6.014 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 11 -31.550 5.513 2.403 1.00 0.00 H new ATOM 177 N VAL A 12 -28.807 5.025 -1.705 1.00 0.00 N ATOM 178 CA VAL A 12 -27.778 5.067 -2.731 1.00 0.00 C ATOM 179 C VAL A 12 -26.717 6.074 -2.313 1.00 0.00 C ATOM 180 O VAL A 12 -25.533 5.816 -2.467 1.00 0.00 O ATOM 181 CB VAL A 12 -28.392 5.406 -4.103 1.00 0.00 C ATOM 182 CG1 VAL A 12 -27.358 5.274 -5.225 1.00 0.00 C ATOM 183 CG2 VAL A 12 -29.603 4.509 -4.399 1.00 0.00 C ATOM 0 H VAL A 12 -29.736 5.293 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -27.309 4.089 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 12 -28.724 6.443 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -27.823 5.520 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -26.529 5.957 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -26.984 4.251 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -30.018 4.768 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -29.290 3.465 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -30.362 4.656 -3.630 1.00 0.00 H new ATOM 193 N GLU A 13 -27.122 7.190 -1.713 1.00 0.00 N ATOM 194 CA GLU A 13 -26.180 8.204 -1.281 1.00 0.00 C ATOM 195 C GLU A 13 -25.237 7.684 -0.206 1.00 0.00 C ATOM 196 O GLU A 13 -24.026 7.838 -0.327 1.00 0.00 O ATOM 197 CB GLU A 13 -26.950 9.404 -0.737 1.00 0.00 C ATOM 198 CG GLU A 13 -27.568 10.187 -1.890 1.00 0.00 C ATOM 199 CD GLU A 13 -28.515 11.273 -1.393 1.00 0.00 C ATOM 200 OE1 GLU A 13 -28.175 11.968 -0.403 1.00 0.00 O ATOM 201 OE2 GLU A 13 -29.590 11.423 -2.008 1.00 0.00 O ATOM 0 H GLU A 13 -28.099 7.410 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.578 8.491 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -27.730 9.068 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -26.282 10.048 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -26.777 10.640 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -28.110 9.504 -2.544 1.00 0.00 H new ATOM 208 N ASP A 14 -25.770 7.069 0.849 1.00 0.00 N ATOM 209 CA ASP A 14 -24.946 6.575 1.948 1.00 0.00 C ATOM 210 C ASP A 14 -23.940 5.530 1.472 1.00 0.00 C ATOM 211 O ASP A 14 -22.755 5.599 1.812 1.00 0.00 O ATOM 212 CB ASP A 14 -25.840 6.051 3.069 1.00 0.00 C ATOM 213 CG ASP A 14 -25.138 6.121 4.425 1.00 0.00 C ATOM 214 OD1 ASP A 14 -24.134 5.420 4.671 1.00 0.00 O ATOM 215 OD2 ASP A 14 -25.602 6.898 5.289 1.00 0.00 O ATOM 0 H ASP A 14 -26.770 6.902 0.965 1.00 0.00 H new ATOM 0 HA ASP A 14 -24.357 7.402 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -26.760 6.634 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -26.124 5.020 2.858 1.00 0.00 H new ATOM 220 N LEU A 15 -24.388 4.574 0.654 1.00 0.00 N ATOM 221 CA LEU A 15 -23.500 3.541 0.133 1.00 0.00 C ATOM 222 C LEU A 15 -22.449 4.198 -0.782 1.00 0.00 C ATOM 223 O LEU A 15 -21.264 3.883 -0.673 1.00 0.00 O ATOM 224 CB LEU A 15 -24.320 2.399 -0.514 1.00 0.00 C ATOM 225 CG LEU A 15 -24.568 2.546 -2.023 1.00 0.00 C ATOM 226 CD1 LEU A 15 -23.361 2.089 -2.836 1.00 0.00 C ATOM 227 CD2 LEU A 15 -25.798 1.798 -2.510 1.00 0.00 C ATOM 0 H LEU A 15 -25.356 4.497 0.342 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.942 3.056 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.802 1.456 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -25.283 2.333 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.740 3.611 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -23.572 2.207 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.493 2.692 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -23.154 1.041 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -25.912 1.946 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -25.684 0.735 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.681 2.177 -1.996 1.00 0.00 H new ATOM 239 N GLN A 16 -22.851 5.137 -1.646 1.00 0.00 N ATOM 240 CA GLN A 16 -21.982 5.853 -2.576 1.00 0.00 C ATOM 241 C GLN A 16 -20.917 6.617 -1.792 1.00 0.00 C ATOM 242 O GLN A 16 -19.751 6.650 -2.192 1.00 0.00 O ATOM 243 CB GLN A 16 -22.863 6.749 -3.447 1.00 0.00 C ATOM 244 CG GLN A 16 -22.137 7.576 -4.506 1.00 0.00 C ATOM 245 CD GLN A 16 -23.148 7.962 -5.580 1.00 0.00 C ATOM 246 OE1 GLN A 16 -23.816 8.994 -5.486 1.00 0.00 O ATOM 247 NE2 GLN A 16 -23.332 7.110 -6.575 1.00 0.00 N ATOM 0 H GLN A 16 -23.826 5.427 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.442 5.175 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -23.602 6.123 -3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -23.411 7.430 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.698 8.468 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.319 7.003 -4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.767 6.263 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.039 7.300 -7.285 1.00 0.00 H new ATOM 256 N LYS A 17 -21.283 7.188 -0.639 1.00 0.00 N ATOM 257 CA LYS A 17 -20.341 7.909 0.209 1.00 0.00 C ATOM 258 C LYS A 17 -19.243 6.950 0.674 1.00 0.00 C ATOM 259 O LYS A 17 -18.131 7.400 0.939 1.00 0.00 O ATOM 260 CB LYS A 17 -21.057 8.601 1.379 1.00 0.00 C ATOM 261 CG LYS A 17 -21.307 10.098 1.134 1.00 0.00 C ATOM 262 CD LYS A 17 -22.420 10.364 0.110 1.00 0.00 C ATOM 263 CE LYS A 17 -22.619 11.843 -0.220 1.00 0.00 C ATOM 264 NZ LYS A 17 -23.076 12.608 0.955 1.00 0.00 N ATOM 0 H LYS A 17 -22.235 7.161 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.872 8.707 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -22.011 8.104 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.461 8.482 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -21.569 10.576 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.384 10.562 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -22.191 9.825 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -23.357 9.958 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.682 12.263 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.348 11.941 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -23.216 13.603 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -23.974 12.212 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.361 12.549 1.707 1.00 0.00 H new ATOM 278 N ARG A 18 -19.521 5.644 0.812 1.00 0.00 N ATOM 279 CA ARG A 18 -18.487 4.693 1.203 1.00 0.00 C ATOM 280 C ARG A 18 -17.602 4.419 -0.011 1.00 0.00 C ATOM 281 O ARG A 18 -16.390 4.351 0.153 1.00 0.00 O ATOM 282 CB ARG A 18 -19.047 3.366 1.731 1.00 0.00 C ATOM 283 CG ARG A 18 -19.880 3.499 3.008 1.00 0.00 C ATOM 284 CD ARG A 18 -20.111 2.098 3.576 1.00 0.00 C ATOM 285 NE ARG A 18 -20.849 2.102 4.846 1.00 0.00 N ATOM 286 CZ ARG A 18 -20.371 2.410 6.057 1.00 0.00 C ATOM 287 NH1 ARG A 18 -19.148 2.913 6.236 1.00 0.00 N ATOM 288 NH2 ARG A 18 -21.138 2.174 7.105 1.00 0.00 N ATOM 0 H ARG A 18 -20.442 5.234 0.659 1.00 0.00 H new ATOM 0 HA ARG A 18 -17.924 5.140 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.662 2.910 0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.218 2.685 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -19.363 4.124 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.832 3.983 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -20.660 1.503 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -19.148 1.610 3.725 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.834 1.841 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.541 3.076 5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.820 3.135 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -22.065 1.768 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.804 2.397 8.042 1.00 0.00 H new ATOM 302 N LEU A 19 -18.177 4.270 -1.216 1.00 0.00 N ATOM 303 CA LEU A 19 -17.415 3.994 -2.441 1.00 0.00 C ATOM 304 C LEU A 19 -16.369 5.069 -2.667 1.00 0.00 C ATOM 305 O LEU A 19 -15.183 4.774 -2.779 1.00 0.00 O ATOM 306 CB LEU A 19 -18.354 3.917 -3.671 1.00 0.00 C ATOM 307 CG LEU A 19 -17.724 3.457 -5.008 1.00 0.00 C ATOM 308 CD1 LEU A 19 -16.943 4.553 -5.745 1.00 0.00 C ATOM 309 CD2 LEU A 19 -16.853 2.204 -4.855 1.00 0.00 C ATOM 0 H LEU A 19 -19.184 4.338 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.920 3.031 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.172 3.238 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.793 4.903 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.585 3.207 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.534 4.148 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -17.611 5.383 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.128 4.907 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.438 1.929 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.041 2.409 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.460 1.383 -4.474 1.00 0.00 H new ATOM 321 N LEU A 20 -16.797 6.332 -2.650 1.00 0.00 N ATOM 322 CA LEU A 20 -15.878 7.437 -2.868 1.00 0.00 C ATOM 323 C LEU A 20 -14.872 7.546 -1.728 1.00 0.00 C ATOM 324 O LEU A 20 -13.773 8.021 -1.982 1.00 0.00 O ATOM 325 CB LEU A 20 -16.643 8.748 -3.104 1.00 0.00 C ATOM 326 CG LEU A 20 -17.218 9.355 -1.816 1.00 0.00 C ATOM 327 CD1 LEU A 20 -16.260 10.302 -1.076 1.00 0.00 C ATOM 328 CD2 LEU A 20 -18.503 10.122 -2.154 1.00 0.00 C ATOM 0 H LEU A 20 -17.766 6.608 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.306 7.236 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.975 9.471 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.456 8.565 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.404 8.517 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.747 10.684 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.357 9.760 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.995 11.134 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.918 10.556 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.276 10.917 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.230 9.439 -2.594 1.00 0.00 H new ATOM 340 N ALA A 21 -15.218 7.142 -0.496 1.00 0.00 N ATOM 341 CA ALA A 21 -14.307 7.203 0.643 1.00 0.00 C ATOM 342 C ALA A 21 -13.250 6.103 0.529 1.00 0.00 C ATOM 343 O ALA A 21 -12.134 6.277 1.010 1.00 0.00 O ATOM 344 CB ALA A 21 -15.072 7.088 1.965 1.00 0.00 C ATOM 0 H ALA A 21 -16.138 6.765 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.806 8.171 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.370 7.136 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.786 7.908 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.606 6.138 1.995 1.00 0.00 H new ATOM 350 N LEU A 22 -13.589 4.974 -0.101 1.00 0.00 N ATOM 351 CA LEU A 22 -12.679 3.857 -0.310 1.00 0.00 C ATOM 352 C LEU A 22 -11.546 4.293 -1.242 1.00 0.00 C ATOM 353 O LEU A 22 -10.451 3.726 -1.174 1.00 0.00 O ATOM 354 CB LEU A 22 -13.412 2.617 -0.865 1.00 0.00 C ATOM 355 CG LEU A 22 -13.496 1.416 0.094 1.00 0.00 C ATOM 356 CD1 LEU A 22 -12.116 0.942 0.573 1.00 0.00 C ATOM 357 CD2 LEU A 22 -14.391 1.707 1.301 1.00 0.00 C ATOM 0 H LEU A 22 -14.521 4.814 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.259 3.566 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.424 2.909 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.909 2.297 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.945 0.610 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.236 0.093 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.516 0.641 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.615 1.754 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.421 0.832 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.991 2.556 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.399 1.940 0.959 1.00 0.00 H new ATOM 369 N ASP A 23 -11.800 5.259 -2.137 1.00 0.00 N ATOM 370 CA ASP A 23 -10.770 5.736 -3.062 1.00 0.00 C ATOM 371 C ASP A 23 -9.553 6.310 -2.310 1.00 0.00 C ATOM 372 O ASP A 23 -8.480 5.714 -2.426 1.00 0.00 O ATOM 373 CB ASP A 23 -11.336 6.708 -4.105 1.00 0.00 C ATOM 374 CG ASP A 23 -11.999 6.028 -5.301 1.00 0.00 C ATOM 375 OD1 ASP A 23 -12.063 4.779 -5.406 1.00 0.00 O ATOM 376 OD2 ASP A 23 -12.422 6.745 -6.225 1.00 0.00 O ATOM 0 H ASP A 23 -12.704 5.720 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.411 4.872 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.065 7.358 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.529 7.346 -4.466 1.00 0.00 H new ATOM 381 N PRO A 24 -9.663 7.391 -1.507 1.00 0.00 N ATOM 382 CA PRO A 24 -8.532 7.953 -0.775 1.00 0.00 C ATOM 383 C PRO A 24 -8.018 6.994 0.297 1.00 0.00 C ATOM 384 O PRO A 24 -6.874 7.128 0.714 1.00 0.00 O ATOM 385 CB PRO A 24 -9.020 9.275 -0.177 1.00 0.00 C ATOM 386 CG PRO A 24 -10.513 9.039 -0.011 1.00 0.00 C ATOM 387 CD PRO A 24 -10.836 8.203 -1.248 1.00 0.00 C ATOM 0 HA PRO A 24 -7.683 8.120 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.536 9.491 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.815 10.118 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.743 8.508 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.075 9.973 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.712 7.577 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.063 8.842 -2.101 1.00 0.00 H new ATOM 395 N MET A 25 -8.831 6.032 0.749 1.00 0.00 N ATOM 396 CA MET A 25 -8.398 5.074 1.755 1.00 0.00 C ATOM 397 C MET A 25 -7.228 4.273 1.193 1.00 0.00 C ATOM 398 O MET A 25 -6.219 4.150 1.868 1.00 0.00 O ATOM 399 CB MET A 25 -9.551 4.160 2.182 1.00 0.00 C ATOM 400 CG MET A 25 -10.523 4.893 3.108 1.00 0.00 C ATOM 401 SD MET A 25 -10.152 4.729 4.866 1.00 0.00 S ATOM 402 CE MET A 25 -10.896 3.115 5.187 1.00 0.00 C ATOM 0 H MET A 25 -9.791 5.902 0.430 1.00 0.00 H new ATOM 0 HA MET A 25 -8.074 5.605 2.650 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.083 3.805 1.300 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.153 3.281 2.690 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.525 5.951 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.530 4.518 2.926 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.759 2.853 6.236 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.961 3.154 4.959 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.418 2.363 4.560 1.00 0.00 H new ATOM 412 N MET A 26 -7.368 3.661 0.008 1.00 0.00 N ATOM 413 CA MET A 26 -6.252 2.904 -0.546 1.00 0.00 C ATOM 414 C MET A 26 -5.192 3.855 -1.094 1.00 0.00 C ATOM 415 O MET A 26 -4.012 3.620 -0.918 1.00 0.00 O ATOM 416 CB MET A 26 -6.732 1.962 -1.659 1.00 0.00 C ATOM 417 CG MET A 26 -5.604 1.053 -2.162 1.00 0.00 C ATOM 418 SD MET A 26 -6.060 -0.164 -3.421 1.00 0.00 S ATOM 419 CE MET A 26 -6.422 0.983 -4.766 1.00 0.00 C ATOM 0 H MET A 26 -8.213 3.676 -0.563 1.00 0.00 H new ATOM 0 HA MET A 26 -5.817 2.304 0.253 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.554 1.350 -1.288 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.123 2.550 -2.490 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.811 1.683 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.185 0.521 -1.307 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.518 0.430 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.355 1.507 -4.557 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.612 1.707 -4.855 1.00 0.00 H new ATOM 429 N GLU A 27 -5.599 4.923 -1.774 1.00 0.00 N ATOM 430 CA GLU A 27 -4.667 5.866 -2.383 1.00 0.00 C ATOM 431 C GLU A 27 -3.658 6.439 -1.391 1.00 0.00 C ATOM 432 O GLU A 27 -2.459 6.366 -1.675 1.00 0.00 O ATOM 433 CB GLU A 27 -5.429 6.966 -3.139 1.00 0.00 C ATOM 434 CG GLU A 27 -4.485 7.760 -4.055 1.00 0.00 C ATOM 435 CD GLU A 27 -5.237 8.818 -4.867 1.00 0.00 C ATOM 436 OE1 GLU A 27 -6.196 8.462 -5.598 1.00 0.00 O ATOM 437 OE2 GLU A 27 -4.884 10.012 -4.790 1.00 0.00 O ATOM 0 H GLU A 27 -6.581 5.158 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.072 5.307 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.226 6.519 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.903 7.641 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.716 8.243 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.976 7.075 -4.733 1.00 0.00 H new ATOM 444 N GLN A 28 -4.121 6.962 -0.251 1.00 0.00 N ATOM 445 CA GLN A 28 -3.273 7.554 0.774 1.00 0.00 C ATOM 446 C GLN A 28 -2.351 6.509 1.403 1.00 0.00 C ATOM 447 O GLN A 28 -1.130 6.685 1.458 1.00 0.00 O ATOM 448 CB GLN A 28 -4.153 8.235 1.836 1.00 0.00 C ATOM 449 CG GLN A 28 -3.351 9.165 2.758 1.00 0.00 C ATOM 450 CD GLN A 28 -2.481 8.449 3.785 1.00 0.00 C ATOM 451 OE1 GLN A 28 -2.967 7.645 4.567 1.00 0.00 O ATOM 452 NE2 GLN A 28 -1.201 8.772 3.881 1.00 0.00 N ATOM 0 H GLN A 28 -5.113 6.983 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.633 8.306 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.937 8.808 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.648 7.472 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.715 9.802 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.046 9.820 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.794 9.443 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.622 8.350 4.607 1.00 0.00 H new ATOM 461 N GLU A 29 -2.936 5.400 1.845 1.00 0.00 N ATOM 462 CA GLU A 29 -2.190 4.323 2.476 1.00 0.00 C ATOM 463 C GLU A 29 -1.091 3.787 1.545 1.00 0.00 C ATOM 464 O GLU A 29 0.030 3.536 1.998 1.00 0.00 O ATOM 465 CB GLU A 29 -3.141 3.203 2.914 1.00 0.00 C ATOM 466 CG GLU A 29 -4.110 3.601 4.034 1.00 0.00 C ATOM 467 CD GLU A 29 -3.439 3.644 5.408 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.904 2.605 5.863 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.511 4.679 6.100 1.00 0.00 O ATOM 0 H GLU A 29 -3.938 5.225 1.775 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.698 4.721 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.718 2.874 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.550 2.350 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.534 4.580 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.938 2.893 4.061 1.00 0.00 H new ATOM 476 N ILE A 30 -1.397 3.611 0.252 1.00 0.00 N ATOM 477 CA ILE A 30 -0.459 3.120 -0.740 1.00 0.00 C ATOM 478 C ILE A 30 0.614 4.172 -0.948 1.00 0.00 C ATOM 479 O ILE A 30 1.782 3.807 -0.855 1.00 0.00 O ATOM 480 CB ILE A 30 -1.165 2.750 -2.075 1.00 0.00 C ATOM 481 CG1 ILE A 30 -1.781 1.331 -2.096 1.00 0.00 C ATOM 482 CG2 ILE A 30 -0.208 2.782 -3.290 1.00 0.00 C ATOM 483 CD1 ILE A 30 -2.479 0.816 -0.854 1.00 0.00 C ATOM 0 H ILE A 30 -2.321 3.812 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.003 2.199 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.943 3.510 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.499 1.296 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.983 0.629 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.757 2.515 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.207 3.784 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.602 2.069 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.852 -0.191 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.774 0.796 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.313 1.473 -0.607 1.00 0.00 H new ATOM 495 N GLU A 31 0.274 5.433 -1.262 1.00 0.00 N ATOM 496 CA GLU A 31 1.291 6.453 -1.508 1.00 0.00 C ATOM 497 C GLU A 31 2.285 6.545 -0.359 1.00 0.00 C ATOM 498 O GLU A 31 3.478 6.666 -0.630 1.00 0.00 O ATOM 499 CB GLU A 31 0.724 7.818 -1.952 1.00 0.00 C ATOM 500 CG GLU A 31 -0.022 8.580 -0.852 1.00 0.00 C ATOM 501 CD GLU A 31 -0.542 9.960 -1.257 1.00 0.00 C ATOM 502 OE1 GLU A 31 -1.204 10.116 -2.309 1.00 0.00 O ATOM 503 OE2 GLU A 31 -0.271 10.938 -0.523 1.00 0.00 O ATOM 0 H GLU A 31 -0.687 5.762 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 31 1.853 6.115 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.544 8.438 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.047 7.661 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.865 7.974 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.644 8.696 0.003 1.00 0.00 H new ATOM 510 N GLU A 32 1.824 6.424 0.886 1.00 0.00 N ATOM 511 CA GLU A 32 2.715 6.472 2.028 1.00 0.00 C ATOM 512 C GLU A 32 3.620 5.244 1.987 1.00 0.00 C ATOM 513 O GLU A 32 4.819 5.396 2.194 1.00 0.00 O ATOM 514 CB GLU A 32 1.932 6.611 3.344 1.00 0.00 C ATOM 515 CG GLU A 32 2.741 6.300 4.624 1.00 0.00 C ATOM 516 CD GLU A 32 4.107 6.998 4.748 1.00 0.00 C ATOM 517 OE1 GLU A 32 4.330 8.052 4.103 1.00 0.00 O ATOM 518 OE2 GLU A 32 4.973 6.465 5.485 1.00 0.00 O ATOM 0 H GLU A 32 0.840 6.293 1.121 1.00 0.00 H new ATOM 0 HA GLU A 32 3.346 7.360 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.547 7.628 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.069 5.946 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.136 6.575 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.900 5.223 4.676 1.00 0.00 H new ATOM 525 N ILE A 33 3.129 4.028 1.696 1.00 0.00 N ATOM 526 CA ILE A 33 4.043 2.889 1.665 1.00 0.00 C ATOM 527 C ILE A 33 5.055 3.071 0.529 1.00 0.00 C ATOM 528 O ILE A 33 6.237 2.743 0.675 1.00 0.00 O ATOM 529 CB ILE A 33 3.280 1.562 1.539 1.00 0.00 C ATOM 530 CG1 ILE A 33 2.490 1.254 2.823 1.00 0.00 C ATOM 531 CG2 ILE A 33 4.295 0.433 1.280 1.00 0.00 C ATOM 532 CD1 ILE A 33 1.495 0.131 2.557 1.00 0.00 C ATOM 0 H ILE A 33 2.152 3.819 1.489 1.00 0.00 H new ATOM 0 HA ILE A 33 4.587 2.848 2.609 1.00 0.00 H new ATOM 0 HB ILE A 33 2.572 1.638 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.173 0.966 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.964 2.147 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.768 -0.516 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.838 0.637 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.998 0.378 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.937 -0.084 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.803 0.436 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.032 -0.763 2.240 1.00 0.00 H new ATOM 544 N ARG A 34 4.600 3.558 -0.627 1.00 0.00 N ATOM 545 CA ARG A 34 5.478 3.766 -1.767 1.00 0.00 C ATOM 546 C ARG A 34 6.581 4.733 -1.365 1.00 0.00 C ATOM 547 O ARG A 34 7.735 4.458 -1.687 1.00 0.00 O ATOM 548 CB ARG A 34 4.695 4.230 -3.000 1.00 0.00 C ATOM 549 CG ARG A 34 3.645 3.188 -3.423 1.00 0.00 C ATOM 550 CD ARG A 34 3.276 3.269 -4.899 1.00 0.00 C ATOM 551 NE ARG A 34 4.382 2.833 -5.763 1.00 0.00 N ATOM 552 CZ ARG A 34 4.377 2.873 -7.099 1.00 0.00 C ATOM 553 NH1 ARG A 34 3.315 3.317 -7.761 1.00 0.00 N ATOM 554 NH2 ARG A 34 5.443 2.475 -7.777 1.00 0.00 N ATOM 0 H ARG A 34 3.627 3.814 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 34 5.940 2.822 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.203 5.178 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.385 4.409 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.025 2.190 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.745 3.324 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.400 2.649 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.001 4.294 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 34 5.220 2.471 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.491 3.633 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.324 3.343 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.267 2.138 -7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.440 2.505 -8.797 1.00 0.00 H new ATOM 568 N GLN A 35 6.245 5.814 -0.660 1.00 0.00 N ATOM 569 CA GLN A 35 7.199 6.818 -0.189 1.00 0.00 C ATOM 570 C GLN A 35 8.131 6.243 0.886 1.00 0.00 C ATOM 571 O GLN A 35 9.355 6.342 0.745 1.00 0.00 O ATOM 572 CB GLN A 35 6.462 8.048 0.361 1.00 0.00 C ATOM 573 CG GLN A 35 5.840 8.888 -0.761 1.00 0.00 C ATOM 574 CD GLN A 35 6.861 9.646 -1.610 1.00 0.00 C ATOM 575 OE1 GLN A 35 7.805 10.259 -1.123 1.00 0.00 O ATOM 576 NE2 GLN A 35 6.753 9.602 -2.928 1.00 0.00 N ATOM 0 H GLN A 35 5.282 6.020 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 35 7.807 7.119 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.681 7.726 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.157 8.663 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.257 8.234 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.145 9.604 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.978 9.099 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.445 10.071 -3.512 1.00 0.00 H new ATOM 585 N LYS A 36 7.582 5.592 1.919 1.00 0.00 N ATOM 586 CA LYS A 36 8.332 5.002 3.034 1.00 0.00 C ATOM 587 C LYS A 36 9.415 4.066 2.509 1.00 0.00 C ATOM 588 O LYS A 36 10.598 4.238 2.813 1.00 0.00 O ATOM 589 CB LYS A 36 7.372 4.374 4.090 1.00 0.00 C ATOM 590 CG LYS A 36 7.092 2.854 4.050 1.00 0.00 C ATOM 591 CD LYS A 36 5.985 2.419 5.033 1.00 0.00 C ATOM 592 CE LYS A 36 5.673 0.918 4.893 1.00 0.00 C ATOM 593 NZ LYS A 36 4.763 0.395 5.941 1.00 0.00 N ATOM 0 H LYS A 36 6.575 5.458 2.004 1.00 0.00 H new ATOM 0 HA LYS A 36 8.862 5.784 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.773 4.607 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.413 4.886 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.804 2.570 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.010 2.315 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.298 2.634 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.081 3.000 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.226 0.739 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.608 0.358 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.517 -0.592 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.236 0.441 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.896 0.970 5.967 1.00 0.00 H new ATOM 607 N TYR A 37 9.042 3.105 1.663 1.00 0.00 N ATOM 608 CA TYR A 37 10.006 2.169 1.120 1.00 0.00 C ATOM 609 C TYR A 37 10.911 2.825 0.084 1.00 0.00 C ATOM 610 O TYR A 37 12.102 2.508 0.076 1.00 0.00 O ATOM 611 CB TYR A 37 9.297 0.915 0.611 1.00 0.00 C ATOM 612 CG TYR A 37 8.784 0.010 1.723 1.00 0.00 C ATOM 613 CD1 TYR A 37 9.601 -0.379 2.805 1.00 0.00 C ATOM 614 CD2 TYR A 37 7.467 -0.459 1.668 1.00 0.00 C ATOM 615 CE1 TYR A 37 9.095 -1.218 3.814 1.00 0.00 C ATOM 616 CE2 TYR A 37 6.965 -1.336 2.642 1.00 0.00 C ATOM 617 CZ TYR A 37 7.782 -1.727 3.720 1.00 0.00 C ATOM 618 OH TYR A 37 7.324 -2.601 4.655 1.00 0.00 O ATOM 0 H TYR A 37 8.084 2.961 1.345 1.00 0.00 H new ATOM 0 HA TYR A 37 10.676 1.849 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.459 1.212 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.984 0.349 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.622 -0.030 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.824 -0.140 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.712 -1.473 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.955 -1.710 2.565 1.00 0.00 H new ATOM 0 HH TYR A 37 6.539 -2.220 5.102 1.00 0.00 H new ATOM 628 N GLN A 38 10.420 3.755 -0.745 1.00 0.00 N ATOM 629 CA GLN A 38 11.263 4.422 -1.735 1.00 0.00 C ATOM 630 C GLN A 38 12.386 5.169 -1.020 1.00 0.00 C ATOM 631 O GLN A 38 13.525 5.097 -1.476 1.00 0.00 O ATOM 632 CB GLN A 38 10.435 5.351 -2.637 1.00 0.00 C ATOM 633 CG GLN A 38 11.244 6.271 -3.559 1.00 0.00 C ATOM 634 CD GLN A 38 12.293 5.579 -4.432 1.00 0.00 C ATOM 635 OE1 GLN A 38 12.084 4.508 -5.005 1.00 0.00 O ATOM 636 NE2 GLN A 38 13.453 6.203 -4.553 1.00 0.00 N ATOM 0 H GLN A 38 9.446 4.059 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 38 11.709 3.674 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.776 4.738 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.798 5.969 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.551 6.804 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.745 7.020 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.608 7.089 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.192 5.799 -5.128 1.00 0.00 H new ATOM 645 N SER A 39 12.110 5.808 0.119 1.00 0.00 N ATOM 646 CA SER A 39 13.118 6.532 0.884 1.00 0.00 C ATOM 647 C SER A 39 14.258 5.573 1.255 1.00 0.00 C ATOM 648 O SER A 39 15.429 5.952 1.220 1.00 0.00 O ATOM 649 CB SER A 39 12.475 7.166 2.119 1.00 0.00 C ATOM 650 OG SER A 39 11.396 8.017 1.773 1.00 0.00 O ATOM 0 H SER A 39 11.179 5.836 0.534 1.00 0.00 H new ATOM 0 HA SER A 39 13.540 7.339 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.119 6.381 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.225 7.735 2.668 1.00 0.00 H new ATOM 0 HG SER A 39 10.643 7.477 1.453 1.00 0.00 H new ATOM 656 N LYS A 40 13.939 4.324 1.624 1.00 0.00 N ATOM 657 CA LYS A 40 14.952 3.319 1.945 1.00 0.00 C ATOM 658 C LYS A 40 15.613 2.788 0.673 1.00 0.00 C ATOM 659 O LYS A 40 16.778 2.400 0.740 1.00 0.00 O ATOM 660 CB LYS A 40 14.362 2.144 2.736 1.00 0.00 C ATOM 661 CG LYS A 40 14.134 2.524 4.201 1.00 0.00 C ATOM 662 CD LYS A 40 13.913 1.293 5.090 1.00 0.00 C ATOM 663 CE LYS A 40 12.522 0.687 4.884 1.00 0.00 C ATOM 664 NZ LYS A 40 12.254 -0.408 5.838 1.00 0.00 N ATOM 0 H LYS A 40 12.979 3.988 1.707 1.00 0.00 H new ATOM 0 HA LYS A 40 15.699 3.813 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.418 1.836 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.036 1.289 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.994 3.085 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.269 3.183 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.673 0.543 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.037 1.573 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.766 1.464 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.437 0.310 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.303 -0.793 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.960 -1.161 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.310 -0.043 6.810 1.00 0.00 H new ATOM 678 N ARG A 41 14.893 2.719 -0.455 1.00 0.00 N ATOM 679 CA ARG A 41 15.401 2.221 -1.732 1.00 0.00 C ATOM 680 C ARG A 41 16.437 3.174 -2.323 1.00 0.00 C ATOM 681 O ARG A 41 17.494 2.719 -2.733 1.00 0.00 O ATOM 682 CB ARG A 41 14.247 1.983 -2.733 1.00 0.00 C ATOM 683 CG ARG A 41 14.722 1.146 -3.935 1.00 0.00 C ATOM 684 CD ARG A 41 13.892 1.338 -5.213 1.00 0.00 C ATOM 685 NE ARG A 41 12.604 0.631 -5.172 1.00 0.00 N ATOM 686 CZ ARG A 41 12.112 -0.208 -6.095 1.00 0.00 C ATOM 687 NH1 ARG A 41 12.753 -0.435 -7.237 1.00 0.00 N ATOM 688 NH2 ARG A 41 10.962 -0.821 -5.863 1.00 0.00 N ATOM 0 H ARG A 41 13.918 3.016 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 41 15.890 1.266 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.426 1.472 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.861 2.941 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.760 1.399 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.701 0.092 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.712 2.402 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.467 0.986 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 41 12.021 0.797 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.639 0.033 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.359 -1.078 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.461 -0.653 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.577 -1.462 -6.557 1.00 0.00 H new ATOM 702 N GLN A 42 16.148 4.468 -2.357 1.00 0.00 N ATOM 703 CA GLN A 42 16.982 5.539 -2.895 1.00 0.00 C ATOM 704 C GLN A 42 18.483 5.364 -2.577 1.00 0.00 C ATOM 705 O GLN A 42 19.242 5.170 -3.524 1.00 0.00 O ATOM 706 CB GLN A 42 16.353 6.897 -2.514 1.00 0.00 C ATOM 707 CG GLN A 42 16.719 8.014 -3.501 1.00 0.00 C ATOM 708 CD GLN A 42 18.196 8.378 -3.432 1.00 0.00 C ATOM 709 OE1 GLN A 42 18.668 8.892 -2.418 1.00 0.00 O ATOM 710 NE2 GLN A 42 18.950 8.101 -4.473 1.00 0.00 N ATOM 0 H GLN A 42 15.267 4.823 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 42 16.991 5.496 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.269 6.793 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.683 7.178 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.471 7.698 -4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.118 8.898 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.537 7.675 -5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.948 8.312 -4.451 1.00 0.00 H new ATOM 719 N PRO A 43 18.939 5.361 -1.309 1.00 0.00 N ATOM 720 CA PRO A 43 20.355 5.206 -0.979 1.00 0.00 C ATOM 721 C PRO A 43 20.942 3.865 -1.426 1.00 0.00 C ATOM 722 O PRO A 43 22.149 3.770 -1.611 1.00 0.00 O ATOM 723 CB PRO A 43 20.456 5.360 0.542 1.00 0.00 C ATOM 724 CG PRO A 43 19.057 4.991 1.014 1.00 0.00 C ATOM 725 CD PRO A 43 18.182 5.559 -0.090 1.00 0.00 C ATOM 0 HA PRO A 43 20.937 5.957 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.213 4.700 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.724 6.377 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 43 18.934 3.913 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.826 5.432 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.221 5.047 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.972 6.616 0.077 1.00 0.00 H new ATOM 733 N ILE A 44 20.123 2.817 -1.556 1.00 0.00 N ATOM 734 CA ILE A 44 20.576 1.501 -1.984 1.00 0.00 C ATOM 735 C ILE A 44 21.034 1.612 -3.440 1.00 0.00 C ATOM 736 O ILE A 44 22.124 1.153 -3.774 1.00 0.00 O ATOM 737 CB ILE A 44 19.473 0.443 -1.758 1.00 0.00 C ATOM 738 CG1 ILE A 44 19.068 0.319 -0.275 1.00 0.00 C ATOM 739 CG2 ILE A 44 19.938 -0.934 -2.218 1.00 0.00 C ATOM 740 CD1 ILE A 44 17.831 -0.570 -0.073 1.00 0.00 C ATOM 0 H ILE A 44 19.122 2.864 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 44 21.423 1.161 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 44 18.616 0.782 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 44 19.903 -0.092 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.867 1.312 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.144 -1.661 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 44 20.179 -0.901 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.824 -1.226 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.590 -0.623 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.986 -0.147 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 44 18.038 -1.572 -0.448 1.00 0.00 H new ATOM 752 N LEU A 45 20.214 2.211 -4.309 1.00 0.00 N ATOM 753 CA LEU A 45 20.559 2.371 -5.727 1.00 0.00 C ATOM 754 C LEU A 45 21.765 3.281 -5.832 1.00 0.00 C ATOM 755 O LEU A 45 22.736 2.981 -6.521 1.00 0.00 O ATOM 756 CB LEU A 45 19.455 3.019 -6.582 1.00 0.00 C ATOM 757 CG LEU A 45 18.027 2.712 -6.172 1.00 0.00 C ATOM 758 CD1 LEU A 45 17.007 3.422 -7.057 1.00 0.00 C ATOM 759 CD2 LEU A 45 17.762 1.204 -6.218 1.00 0.00 C ATOM 0 H LEU A 45 19.304 2.595 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 45 20.731 1.363 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.594 4.100 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.591 2.702 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 45 17.911 3.079 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.000 3.171 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.154 4.500 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.138 3.103 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 16.732 1.006 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.924 0.837 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.441 0.694 -5.535 1.00 0.00 H new ATOM 771 N ASP A 46 21.703 4.374 -5.074 1.00 0.00 N ATOM 772 CA ASP A 46 22.746 5.373 -5.067 1.00 0.00 C ATOM 773 C ASP A 46 24.101 4.782 -4.656 1.00 0.00 C ATOM 774 O ASP A 46 25.154 5.277 -5.053 1.00 0.00 O ATOM 775 CB ASP A 46 22.276 6.513 -4.158 1.00 0.00 C ATOM 776 CG ASP A 46 23.079 7.807 -4.226 1.00 0.00 C ATOM 777 OD1 ASP A 46 23.675 8.151 -5.265 1.00 0.00 O ATOM 778 OD2 ASP A 46 23.068 8.539 -3.209 1.00 0.00 O ATOM 0 H ASP A 46 20.924 4.583 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 46 22.917 5.763 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 46 21.239 6.741 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 46 22.289 6.156 -3.128 1.00 0.00 H new ATOM 783 N ALA A 47 24.086 3.724 -3.839 1.00 0.00 N ATOM 784 CA ALA A 47 25.271 3.029 -3.377 1.00 0.00 C ATOM 785 C ALA A 47 25.797 2.034 -4.413 1.00 0.00 C ATOM 786 O ALA A 47 27.006 2.003 -4.618 1.00 0.00 O ATOM 787 CB ALA A 47 24.978 2.310 -2.066 1.00 0.00 C ATOM 0 H ALA A 47 23.221 3.324 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 47 26.047 3.778 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 47 25.875 1.791 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 47 24.673 3.037 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 24.176 1.587 -2.219 1.00 0.00 H new ATOM 793 N ILE A 48 24.949 1.196 -5.033 1.00 0.00 N ATOM 794 CA ILE A 48 25.442 0.226 -6.024 1.00 0.00 C ATOM 795 C ILE A 48 26.082 0.928 -7.202 1.00 0.00 C ATOM 796 O ILE A 48 27.086 0.449 -7.716 1.00 0.00 O ATOM 797 CB ILE A 48 24.375 -0.792 -6.498 1.00 0.00 C ATOM 798 CG1 ILE A 48 24.867 -1.830 -7.533 1.00 0.00 C ATOM 799 CG2 ILE A 48 23.128 -0.106 -7.050 1.00 0.00 C ATOM 800 CD1 ILE A 48 24.181 -3.190 -7.323 1.00 0.00 C ATOM 0 H ILE A 48 23.942 1.170 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 48 26.200 -0.361 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 48 24.136 -1.339 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 48 24.663 -1.468 -8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 48 25.947 -1.948 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 48 22.409 -0.860 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 48 22.681 0.516 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 48 23.402 0.517 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 48 24.546 -3.900 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 48 24.407 -3.561 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 48 23.103 -3.074 -7.432 1.00 0.00 H new ATOM 812 N GLU A 49 25.523 2.063 -7.606 1.00 0.00 N ATOM 813 CA GLU A 49 26.050 2.796 -8.737 1.00 0.00 C ATOM 814 C GLU A 49 27.366 3.497 -8.386 1.00 0.00 C ATOM 815 O GLU A 49 28.057 3.964 -9.285 1.00 0.00 O ATOM 816 CB GLU A 49 24.995 3.754 -9.307 1.00 0.00 C ATOM 817 CG GLU A 49 23.807 2.942 -9.847 1.00 0.00 C ATOM 818 CD GLU A 49 22.909 3.713 -10.805 1.00 0.00 C ATOM 819 OE1 GLU A 49 22.568 4.895 -10.562 1.00 0.00 O ATOM 820 OE2 GLU A 49 22.474 3.092 -11.798 1.00 0.00 O ATOM 0 H GLU A 49 24.708 2.489 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 49 26.288 2.084 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.657 4.443 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 25.429 4.358 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.188 2.057 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.208 2.593 -9.006 1.00 0.00 H new ATOM 827 N ALA A 50 27.704 3.598 -7.095 1.00 0.00 N ATOM 828 CA ALA A 50 28.922 4.224 -6.604 1.00 0.00 C ATOM 829 C ALA A 50 30.100 3.243 -6.507 1.00 0.00 C ATOM 830 O ALA A 50 31.127 3.633 -5.945 1.00 0.00 O ATOM 831 CB ALA A 50 28.646 4.884 -5.248 1.00 0.00 C ATOM 0 H ALA A 50 27.115 3.233 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 50 29.219 4.982 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 50 29.558 5.353 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.870 5.640 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 28.314 4.128 -4.536 1.00 0.00 H new ATOM 837 N LYS A 51 29.965 1.983 -6.953 1.00 0.00 N ATOM 838 CA LYS A 51 31.062 1.009 -6.906 1.00 0.00 C ATOM 839 C LYS A 51 31.501 0.692 -8.326 1.00 0.00 C ATOM 840 O LYS A 51 30.598 0.484 -9.176 1.00 0.00 O ATOM 841 CB LYS A 51 30.724 -0.299 -6.164 1.00 0.00 C ATOM 842 CG LYS A 51 29.539 -0.297 -5.195 1.00 0.00 C ATOM 843 CD LYS A 51 29.655 0.484 -3.887 1.00 0.00 C ATOM 844 CE LYS A 51 30.567 -0.214 -2.882 1.00 0.00 C ATOM 845 NZ LYS A 51 30.255 0.221 -1.506 1.00 0.00 N ATOM 0 H LYS A 51 29.101 1.616 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 51 31.864 1.474 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.539 -1.069 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 51 31.610 -0.603 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 28.674 0.089 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.319 -1.334 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 51 30.041 1.482 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.664 0.609 -3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.447 -1.294 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.609 0.009 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 31.130 0.520 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 29.588 1.018 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 29.827 -0.568 -0.981 1.00 0.00 H new TER 859 LYS A 51 ATOM 860 N GLY B 101 15.027 0.489 13.636 1.00 0.00 N ATOM 861 CA GLY B 101 15.571 1.532 14.510 1.00 0.00 C ATOM 862 C GLY B 101 17.075 1.641 14.381 1.00 0.00 C ATOM 863 O GLY B 101 17.787 1.336 15.338 1.00 0.00 O ATOM 0 HA2 GLY B 101 15.114 2.490 14.262 1.00 0.00 H new ATOM 0 HA3 GLY B 101 15.309 1.313 15.545 1.00 0.00 H new ATOM 867 N SER B 102 17.566 1.976 13.189 1.00 0.00 N ATOM 868 CA SER B 102 18.966 2.167 12.840 1.00 0.00 C ATOM 869 C SER B 102 18.951 2.928 11.514 1.00 0.00 C ATOM 870 O SER B 102 17.941 2.883 10.800 1.00 0.00 O ATOM 871 CB SER B 102 19.726 0.845 12.649 1.00 0.00 C ATOM 872 OG SER B 102 19.449 -0.113 13.660 1.00 0.00 O ATOM 0 H SER B 102 16.951 2.131 12.390 1.00 0.00 H new ATOM 0 HA SER B 102 19.477 2.696 13.645 1.00 0.00 H new ATOM 0 HB2 SER B 102 19.468 0.423 11.678 1.00 0.00 H new ATOM 0 HB3 SER B 102 20.797 1.048 12.634 1.00 0.00 H new ATOM 0 HG SER B 102 19.959 -0.931 13.484 1.00 0.00 H new ATOM 878 N ASP B 103 20.040 3.610 11.188 1.00 0.00 N ATOM 879 CA ASP B 103 20.144 4.361 9.945 1.00 0.00 C ATOM 880 C ASP B 103 20.528 3.395 8.831 1.00 0.00 C ATOM 881 O ASP B 103 20.799 2.211 9.052 1.00 0.00 O ATOM 882 CB ASP B 103 21.182 5.490 10.053 1.00 0.00 C ATOM 883 CG ASP B 103 20.880 6.519 11.139 1.00 0.00 C ATOM 884 OD1 ASP B 103 19.761 6.553 11.702 1.00 0.00 O ATOM 885 OD2 ASP B 103 21.831 7.230 11.526 1.00 0.00 O ATOM 0 H ASP B 103 20.873 3.658 11.775 1.00 0.00 H new ATOM 0 HA ASP B 103 19.183 4.828 9.728 1.00 0.00 H new ATOM 0 HB2 ASP B 103 22.160 5.051 10.247 1.00 0.00 H new ATOM 0 HB3 ASP B 103 21.247 6.001 9.092 1.00 0.00 H new ATOM 890 N TYR B 104 20.560 3.916 7.608 1.00 0.00 N ATOM 891 CA TYR B 104 20.921 3.173 6.411 1.00 0.00 C ATOM 892 C TYR B 104 21.854 3.998 5.526 1.00 0.00 C ATOM 893 O TYR B 104 22.437 3.445 4.604 1.00 0.00 O ATOM 894 CB TYR B 104 19.658 2.794 5.625 1.00 0.00 C ATOM 895 CG TYR B 104 18.673 1.900 6.350 1.00 0.00 C ATOM 896 CD1 TYR B 104 18.851 0.501 6.365 1.00 0.00 C ATOM 897 CD2 TYR B 104 17.567 2.474 7.003 1.00 0.00 C ATOM 898 CE1 TYR B 104 17.928 -0.311 7.047 1.00 0.00 C ATOM 899 CE2 TYR B 104 16.623 1.663 7.648 1.00 0.00 C ATOM 900 CZ TYR B 104 16.793 0.264 7.661 1.00 0.00 C ATOM 901 OH TYR B 104 15.844 -0.529 8.223 1.00 0.00 O ATOM 0 H TYR B 104 20.329 4.892 7.420 1.00 0.00 H new ATOM 0 HA TYR B 104 21.441 2.264 6.714 1.00 0.00 H new ATOM 0 HB2 TYR B 104 19.144 3.711 5.337 1.00 0.00 H new ATOM 0 HB3 TYR B 104 19.962 2.296 4.704 1.00 0.00 H new ATOM 0 HD1 TYR B 104 19.692 0.056 5.855 1.00 0.00 H new ATOM 0 HD2 TYR B 104 17.444 3.547 7.007 1.00 0.00 H new ATOM 0 HE1 TYR B 104 18.087 -1.378 7.102 1.00 0.00 H new ATOM 0 HE2 TYR B 104 15.768 2.109 8.134 1.00 0.00 H new ATOM 0 HH TYR B 104 15.133 0.029 8.601 1.00 0.00 H new ATOM 911 N GLU B 105 22.050 5.291 5.798 1.00 0.00 N ATOM 912 CA GLU B 105 22.907 6.143 4.974 1.00 0.00 C ATOM 913 C GLU B 105 24.339 5.623 4.802 1.00 0.00 C ATOM 914 O GLU B 105 24.916 5.766 3.725 1.00 0.00 O ATOM 915 CB GLU B 105 22.866 7.585 5.487 1.00 0.00 C ATOM 916 CG GLU B 105 23.318 7.787 6.938 1.00 0.00 C ATOM 917 CD GLU B 105 22.968 9.211 7.352 1.00 0.00 C ATOM 918 OE1 GLU B 105 23.769 10.129 7.077 1.00 0.00 O ATOM 919 OE2 GLU B 105 21.826 9.430 7.817 1.00 0.00 O ATOM 0 H GLU B 105 21.622 5.772 6.589 1.00 0.00 H new ATOM 0 HA GLU B 105 22.495 6.117 3.965 1.00 0.00 H new ATOM 0 HB2 GLU B 105 23.494 8.199 4.841 1.00 0.00 H new ATOM 0 HB3 GLU B 105 21.846 7.958 5.388 1.00 0.00 H new ATOM 0 HG2 GLU B 105 22.825 7.069 7.593 1.00 0.00 H new ATOM 0 HG3 GLU B 105 24.391 7.618 7.029 1.00 0.00 H new ATOM 926 N PHE B 106 24.876 4.960 5.827 1.00 0.00 N ATOM 927 CA PHE B 106 26.216 4.387 5.855 1.00 0.00 C ATOM 928 C PHE B 106 26.347 3.159 4.943 1.00 0.00 C ATOM 929 O PHE B 106 27.445 2.615 4.795 1.00 0.00 O ATOM 930 CB PHE B 106 26.579 4.042 7.308 1.00 0.00 C ATOM 931 CG PHE B 106 26.398 5.203 8.274 1.00 0.00 C ATOM 932 CD1 PHE B 106 27.292 6.292 8.239 1.00 0.00 C ATOM 933 CD2 PHE B 106 25.310 5.223 9.170 1.00 0.00 C ATOM 934 CE1 PHE B 106 27.102 7.390 9.097 1.00 0.00 C ATOM 935 CE2 PHE B 106 25.120 6.324 10.024 1.00 0.00 C ATOM 936 CZ PHE B 106 26.015 7.406 9.987 1.00 0.00 C ATOM 0 H PHE B 106 24.365 4.803 6.696 1.00 0.00 H new ATOM 0 HA PHE B 106 26.916 5.126 5.466 1.00 0.00 H new ATOM 0 HB2 PHE B 106 25.963 3.206 7.639 1.00 0.00 H new ATOM 0 HB3 PHE B 106 27.616 3.708 7.345 1.00 0.00 H new ATOM 0 HD1 PHE B 106 28.125 6.283 7.552 1.00 0.00 H new ATOM 0 HD2 PHE B 106 24.621 4.392 9.201 1.00 0.00 H new ATOM 0 HE1 PHE B 106 27.792 8.221 9.072 1.00 0.00 H new ATOM 0 HE2 PHE B 106 24.285 6.338 10.709 1.00 0.00 H new ATOM 0 HZ PHE B 106 25.867 8.251 10.643 1.00 0.00 H new ATOM 946 N LEU B 107 25.250 2.685 4.331 1.00 0.00 N ATOM 947 CA LEU B 107 25.291 1.532 3.436 1.00 0.00 C ATOM 948 C LEU B 107 26.160 1.834 2.215 1.00 0.00 C ATOM 949 O LEU B 107 26.566 0.908 1.524 1.00 0.00 O ATOM 950 CB LEU B 107 23.879 1.012 3.090 1.00 0.00 C ATOM 951 CG LEU B 107 23.109 1.726 1.956 1.00 0.00 C ATOM 952 CD1 LEU B 107 23.387 1.104 0.588 1.00 0.00 C ATOM 953 CD2 LEU B 107 21.588 1.581 2.122 1.00 0.00 C ATOM 0 H LEU B 107 24.321 3.090 4.445 1.00 0.00 H new ATOM 0 HA LEU B 107 25.768 0.703 3.958 1.00 0.00 H new ATOM 0 HB2 LEU B 107 23.965 -0.042 2.825 1.00 0.00 H new ATOM 0 HB3 LEU B 107 23.271 1.065 3.993 1.00 0.00 H new ATOM 0 HG LEU B 107 23.442 2.762 2.013 1.00 0.00 H new ATOM 0 HD11 LEU B 107 22.824 1.639 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU B 107 24.452 1.171 0.368 1.00 0.00 H new ATOM 0 HD13 LEU B 107 23.083 0.057 0.596 1.00 0.00 H new ATOM 0 HD21 LEU B 107 21.082 2.096 1.306 1.00 0.00 H new ATOM 0 HD22 LEU B 107 21.319 0.525 2.106 1.00 0.00 H new ATOM 0 HD23 LEU B 107 21.282 2.019 3.072 1.00 0.00 H new ATOM 965 N LYS B 108 26.485 3.094 1.922 1.00 0.00 N ATOM 966 CA LYS B 108 27.345 3.402 0.771 1.00 0.00 C ATOM 967 C LYS B 108 28.738 2.771 0.935 1.00 0.00 C ATOM 968 O LYS B 108 29.362 2.404 -0.061 1.00 0.00 O ATOM 969 CB LYS B 108 27.431 4.915 0.545 1.00 0.00 C ATOM 970 CG LYS B 108 26.129 5.454 -0.059 1.00 0.00 C ATOM 971 CD LYS B 108 26.203 6.972 -0.225 1.00 0.00 C ATOM 972 CE LYS B 108 25.013 7.446 -1.058 1.00 0.00 C ATOM 973 NZ LYS B 108 25.170 8.841 -1.509 1.00 0.00 N ATOM 0 H LYS B 108 26.174 3.907 2.453 1.00 0.00 H new ATOM 0 HA LYS B 108 26.894 2.962 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS B 108 27.632 5.417 1.491 1.00 0.00 H new ATOM 0 HB3 LYS B 108 28.265 5.140 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS B 108 25.949 4.985 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS B 108 25.288 5.193 0.584 1.00 0.00 H new ATOM 0 HD2 LYS B 108 26.195 7.457 0.751 1.00 0.00 H new ATOM 0 HD3 LYS B 108 27.137 7.251 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS B 108 24.897 6.796 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS B 108 24.100 7.357 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 24.545 9.016 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 24.919 9.487 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 26.158 9.006 -1.791 1.00 0.00 H new ATOM 987 N SER B 109 29.190 2.536 2.169 1.00 0.00 N ATOM 988 CA SER B 109 30.488 1.936 2.465 1.00 0.00 C ATOM 989 C SER B 109 30.465 0.396 2.515 1.00 0.00 C ATOM 990 O SER B 109 31.515 -0.223 2.674 1.00 0.00 O ATOM 991 CB SER B 109 31.014 2.539 3.776 1.00 0.00 C ATOM 992 OG SER B 109 30.166 2.326 4.900 1.00 0.00 O ATOM 0 H SER B 109 28.652 2.763 3.005 1.00 0.00 H new ATOM 0 HA SER B 109 31.164 2.172 1.643 1.00 0.00 H new ATOM 0 HB2 SER B 109 31.995 2.114 3.990 1.00 0.00 H new ATOM 0 HB3 SER B 109 31.154 3.611 3.639 1.00 0.00 H new ATOM 0 HG SER B 109 29.257 2.621 4.684 1.00 0.00 H new ATOM 998 N TRP B 110 29.293 -0.235 2.402 1.00 0.00 N ATOM 999 CA TRP B 110 29.113 -1.687 2.454 1.00 0.00 C ATOM 1000 C TRP B 110 29.571 -2.427 1.197 1.00 0.00 C ATOM 1001 O TRP B 110 30.101 -1.846 0.248 1.00 0.00 O ATOM 1002 CB TRP B 110 27.620 -1.968 2.703 1.00 0.00 C ATOM 1003 CG TRP B 110 27.195 -2.093 4.131 1.00 0.00 C ATOM 1004 CD1 TRP B 110 26.085 -2.757 4.480 1.00 0.00 C ATOM 1005 CD2 TRP B 110 27.782 -1.618 5.386 1.00 0.00 C ATOM 1006 NE1 TRP B 110 25.959 -2.806 5.850 1.00 0.00 N ATOM 1007 CE2 TRP B 110 26.996 -2.136 6.464 1.00 0.00 C ATOM 1008 CE3 TRP B 110 28.894 -0.822 5.744 1.00 0.00 C ATOM 1009 CZ2 TRP B 110 27.326 -1.917 7.811 1.00 0.00 C ATOM 1010 CZ3 TRP B 110 29.218 -0.572 7.088 1.00 0.00 C ATOM 1011 CH2 TRP B 110 28.445 -1.125 8.121 1.00 0.00 C ATOM 0 H TRP B 110 28.416 0.268 2.268 1.00 0.00 H new ATOM 0 HA TRP B 110 29.745 -2.063 3.258 1.00 0.00 H new ATOM 0 HB2 TRP B 110 27.041 -1.167 2.243 1.00 0.00 H new ATOM 0 HB3 TRP B 110 27.355 -2.890 2.186 1.00 0.00 H new ATOM 0 HD1 TRP B 110 25.385 -3.194 3.783 1.00 0.00 H new ATOM 0 HE1 TRP B 110 25.200 -3.275 6.345 1.00 0.00 H new ATOM 0 HE3 TRP B 110 29.509 -0.396 4.966 1.00 0.00 H new ATOM 0 HZ2 TRP B 110 26.728 -2.351 8.598 1.00 0.00 H new ATOM 0 HZ3 TRP B 110 30.068 0.050 7.328 1.00 0.00 H new ATOM 0 HH2 TRP B 110 28.710 -0.942 9.152 1.00 0.00 H new ATOM 1022 N THR B 111 29.432 -3.752 1.230 1.00 0.00 N ATOM 1023 CA THR B 111 29.751 -4.616 0.118 1.00 0.00 C ATOM 1024 C THR B 111 28.535 -4.611 -0.806 1.00 0.00 C ATOM 1025 O THR B 111 27.401 -4.342 -0.389 1.00 0.00 O ATOM 1026 CB THR B 111 29.991 -6.057 0.610 1.00 0.00 C ATOM 1027 OG1 THR B 111 29.061 -6.426 1.611 1.00 0.00 O ATOM 1028 CG2 THR B 111 31.407 -6.228 1.143 1.00 0.00 C ATOM 0 H THR B 111 29.088 -4.254 2.049 1.00 0.00 H new ATOM 0 HA THR B 111 30.651 -4.268 -0.388 1.00 0.00 H new ATOM 0 HB THR B 111 29.854 -6.712 -0.251 1.00 0.00 H new ATOM 0 HG1 THR B 111 29.239 -7.345 1.900 1.00 0.00 H new ATOM 0 HG21 THR B 111 31.546 -7.254 1.483 1.00 0.00 H new ATOM 0 HG22 THR B 111 32.123 -6.007 0.351 1.00 0.00 H new ATOM 0 HG23 THR B 111 31.567 -5.545 1.977 1.00 0.00 H new ATOM 1036 N VAL B 112 28.776 -4.985 -2.057 1.00 0.00 N ATOM 1037 CA VAL B 112 27.759 -5.083 -3.085 1.00 0.00 C ATOM 1038 C VAL B 112 26.685 -6.059 -2.635 1.00 0.00 C ATOM 1039 O VAL B 112 25.503 -5.758 -2.751 1.00 0.00 O ATOM 1040 CB VAL B 112 28.411 -5.595 -4.393 1.00 0.00 C ATOM 1041 CG1 VAL B 112 27.412 -5.771 -5.551 1.00 0.00 C ATOM 1042 CG2 VAL B 112 29.612 -4.715 -4.764 1.00 0.00 C ATOM 0 H VAL B 112 29.708 -5.234 -2.388 1.00 0.00 H new ATOM 0 HA VAL B 112 27.310 -4.105 -3.259 1.00 0.00 H new ATOM 0 HB VAL B 112 28.778 -6.604 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL B 112 27.939 -6.132 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL B 112 26.647 -6.492 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL B 112 26.942 -4.813 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL B 112 30.063 -5.084 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL B 112 29.279 -3.687 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL B 112 30.349 -4.748 -3.961 1.00 0.00 H new ATOM 1052 N GLU B 113 27.089 -7.204 -2.082 1.00 0.00 N ATOM 1053 CA GLU B 113 26.133 -8.207 -1.659 1.00 0.00 C ATOM 1054 C GLU B 113 25.203 -7.716 -0.567 1.00 0.00 C ATOM 1055 O GLU B 113 23.995 -7.868 -0.689 1.00 0.00 O ATOM 1056 CB GLU B 113 26.843 -9.475 -1.186 1.00 0.00 C ATOM 1057 CG GLU B 113 27.538 -10.231 -2.320 1.00 0.00 C ATOM 1058 CD GLU B 113 27.614 -11.712 -1.961 1.00 0.00 C ATOM 1059 OE1 GLU B 113 28.531 -12.100 -1.206 1.00 0.00 O ATOM 1060 OE2 GLU B 113 26.690 -12.463 -2.366 1.00 0.00 O ATOM 0 H GLU B 113 28.065 -7.451 -1.921 1.00 0.00 H new ATOM 0 HA GLU B 113 25.525 -8.429 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU B 113 27.580 -9.210 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU B 113 26.118 -10.134 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU B 113 26.989 -10.098 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU B 113 28.539 -9.831 -2.480 1.00 0.00 H new ATOM 1067 N ASP B 114 25.732 -7.123 0.498 1.00 0.00 N ATOM 1068 CA ASP B 114 24.878 -6.665 1.592 1.00 0.00 C ATOM 1069 C ASP B 114 23.861 -5.631 1.133 1.00 0.00 C ATOM 1070 O ASP B 114 22.678 -5.687 1.470 1.00 0.00 O ATOM 1071 CB ASP B 114 25.747 -6.055 2.688 1.00 0.00 C ATOM 1072 CG ASP B 114 24.967 -5.875 3.997 1.00 0.00 C ATOM 1073 OD1 ASP B 114 24.085 -4.993 4.124 1.00 0.00 O ATOM 1074 OD2 ASP B 114 25.335 -6.570 4.967 1.00 0.00 O ATOM 0 H ASP B 114 26.729 -6.950 0.628 1.00 0.00 H new ATOM 0 HA ASP B 114 24.330 -7.530 1.967 1.00 0.00 H new ATOM 0 HB2 ASP B 114 26.612 -6.695 2.865 1.00 0.00 H new ATOM 0 HB3 ASP B 114 26.127 -5.089 2.355 1.00 0.00 H new ATOM 1079 N LEU B 115 24.338 -4.673 0.343 1.00 0.00 N ATOM 1080 CA LEU B 115 23.501 -3.602 -0.157 1.00 0.00 C ATOM 1081 C LEU B 115 22.456 -4.169 -1.129 1.00 0.00 C ATOM 1082 O LEU B 115 21.272 -3.845 -1.011 1.00 0.00 O ATOM 1083 CB LEU B 115 24.410 -2.465 -0.671 1.00 0.00 C ATOM 1084 CG LEU B 115 24.502 -2.288 -2.192 1.00 0.00 C ATOM 1085 CD1 LEU B 115 23.240 -1.599 -2.725 1.00 0.00 C ATOM 1086 CD2 LEU B 115 25.699 -1.436 -2.593 1.00 0.00 C ATOM 0 H LEU B 115 25.310 -4.623 0.037 1.00 0.00 H new ATOM 0 HA LEU B 115 22.893 -3.137 0.619 1.00 0.00 H new ATOM 0 HB2 LEU B 115 24.058 -1.528 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU B 115 25.416 -2.634 -0.287 1.00 0.00 H new ATOM 0 HG LEU B 115 24.610 -3.286 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU B 115 23.319 -1.480 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU B 115 22.367 -2.207 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU B 115 23.136 -0.619 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU B 115 25.727 -1.336 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU B 115 25.611 -0.449 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU B 115 26.617 -1.913 -2.249 1.00 0.00 H new ATOM 1098 N GLN B 116 22.861 -5.036 -2.063 1.00 0.00 N ATOM 1099 CA GLN B 116 21.971 -5.643 -3.042 1.00 0.00 C ATOM 1100 C GLN B 116 20.911 -6.486 -2.319 1.00 0.00 C ATOM 1101 O GLN B 116 19.746 -6.469 -2.712 1.00 0.00 O ATOM 1102 CB GLN B 116 22.789 -6.446 -4.057 1.00 0.00 C ATOM 1103 CG GLN B 116 21.917 -6.920 -5.221 1.00 0.00 C ATOM 1104 CD GLN B 116 22.760 -7.572 -6.310 1.00 0.00 C ATOM 1105 OE1 GLN B 116 23.107 -8.745 -6.209 1.00 0.00 O ATOM 1106 NE2 GLN B 116 23.132 -6.854 -7.357 1.00 0.00 N ATOM 0 H GLN B 116 23.831 -5.336 -2.156 1.00 0.00 H new ATOM 0 HA GLN B 116 21.439 -4.875 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN B 116 23.605 -5.832 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN B 116 23.241 -7.307 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN B 116 21.175 -7.631 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN B 116 21.371 -6.074 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN B 116 22.841 -5.880 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN B 116 23.710 -7.275 -8.085 1.00 0.00 H new ATOM 1115 N LYS B 117 21.276 -7.185 -1.237 1.00 0.00 N ATOM 1116 CA LYS B 117 20.335 -7.992 -0.452 1.00 0.00 C ATOM 1117 C LYS B 117 19.228 -7.075 0.067 1.00 0.00 C ATOM 1118 O LYS B 117 18.079 -7.502 0.167 1.00 0.00 O ATOM 1119 CB LYS B 117 21.052 -8.751 0.682 1.00 0.00 C ATOM 1120 CG LYS B 117 21.399 -10.215 0.346 1.00 0.00 C ATOM 1121 CD LYS B 117 22.155 -10.444 -0.978 1.00 0.00 C ATOM 1122 CE LYS B 117 23.359 -11.374 -0.787 1.00 0.00 C ATOM 1123 NZ LYS B 117 24.091 -11.603 -2.047 1.00 0.00 N ATOM 0 H LYS B 117 22.232 -7.207 -0.882 1.00 0.00 H new ATOM 0 HA LYS B 117 19.889 -8.760 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS B 117 21.971 -8.221 0.934 1.00 0.00 H new ATOM 0 HB3 LYS B 117 20.421 -8.734 1.570 1.00 0.00 H new ATOM 0 HG2 LYS B 117 22.000 -10.621 1.160 1.00 0.00 H new ATOM 0 HG3 LYS B 117 20.473 -10.789 0.317 1.00 0.00 H new ATOM 0 HD2 LYS B 117 21.477 -10.873 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS B 117 22.493 -9.487 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS B 117 24.035 -10.943 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS B 117 23.018 -12.329 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 25.047 -11.953 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 23.584 -12.307 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 24.159 -10.710 -2.576 1.00 0.00 H new ATOM 1137 N ARG B 118 19.529 -5.816 0.411 1.00 0.00 N ATOM 1138 CA ARG B 118 18.482 -4.901 0.860 1.00 0.00 C ATOM 1139 C ARG B 118 17.629 -4.501 -0.334 1.00 0.00 C ATOM 1140 O ARG B 118 16.414 -4.428 -0.186 1.00 0.00 O ATOM 1141 CB ARG B 118 19.041 -3.652 1.551 1.00 0.00 C ATOM 1142 CG ARG B 118 19.718 -3.999 2.875 1.00 0.00 C ATOM 1143 CD ARG B 118 19.926 -2.739 3.712 1.00 0.00 C ATOM 1144 NE ARG B 118 20.465 -3.105 5.025 1.00 0.00 N ATOM 1145 CZ ARG B 118 19.772 -3.599 6.054 1.00 0.00 C ATOM 1146 NH1 ARG B 118 18.438 -3.611 6.023 1.00 0.00 N ATOM 1147 NH2 ARG B 118 20.416 -4.067 7.114 1.00 0.00 N ATOM 0 H ARG B 118 20.468 -5.418 0.387 1.00 0.00 H new ATOM 0 HA ARG B 118 17.880 -5.424 1.603 1.00 0.00 H new ATOM 0 HB2 ARG B 118 19.758 -3.161 0.893 1.00 0.00 H new ATOM 0 HB3 ARG B 118 18.234 -2.942 1.729 1.00 0.00 H new ATOM 0 HG2 ARG B 118 19.107 -4.713 3.427 1.00 0.00 H new ATOM 0 HG3 ARG B 118 20.678 -4.480 2.685 1.00 0.00 H new ATOM 0 HD2 ARG B 118 20.611 -2.061 3.203 1.00 0.00 H new ATOM 0 HD3 ARG B 118 18.981 -2.209 3.830 1.00 0.00 H new ATOM 0 HE ARG B 118 21.466 -2.969 5.166 1.00 0.00 H new ATOM 0 HH11 ARG B 118 17.943 -3.242 5.211 1.00 0.00 H new ATOM 0 HH12 ARG B 118 17.913 -3.989 6.811 1.00 0.00 H new ATOM 0 HH21 ARG B 118 21.435 -4.049 7.141 1.00 0.00 H new ATOM 0 HH22 ARG B 118 19.892 -4.446 7.903 1.00 0.00 H new ATOM 1161 N LEU B 119 18.231 -4.256 -1.501 1.00 0.00 N ATOM 1162 CA LEU B 119 17.510 -3.850 -2.705 1.00 0.00 C ATOM 1163 C LEU B 119 16.427 -4.851 -3.086 1.00 0.00 C ATOM 1164 O LEU B 119 15.263 -4.473 -3.241 1.00 0.00 O ATOM 1165 CB LEU B 119 18.498 -3.688 -3.885 1.00 0.00 C ATOM 1166 CG LEU B 119 17.942 -2.980 -5.137 1.00 0.00 C ATOM 1167 CD1 LEU B 119 17.265 -3.957 -6.096 1.00 0.00 C ATOM 1168 CD2 LEU B 119 16.984 -1.819 -4.837 1.00 0.00 C ATOM 0 H LEU B 119 19.239 -4.335 -1.635 1.00 0.00 H new ATOM 0 HA LEU B 119 17.027 -2.897 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU B 119 19.367 -3.132 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.850 -4.677 -4.177 1.00 0.00 H new ATOM 0 HG LEU B 119 18.825 -2.552 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU B 119 16.889 -3.414 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU B 119 17.987 -4.706 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU B 119 16.436 -4.449 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU B 119 16.641 -1.379 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU B 119 16.127 -2.190 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU B 119 17.503 -1.062 -4.249 1.00 0.00 H new ATOM 1180 N LEU B 120 16.801 -6.128 -3.191 1.00 0.00 N ATOM 1181 CA LEU B 120 15.866 -7.179 -3.565 1.00 0.00 C ATOM 1182 C LEU B 120 14.841 -7.406 -2.460 1.00 0.00 C ATOM 1183 O LEU B 120 13.681 -7.645 -2.773 1.00 0.00 O ATOM 1184 CB LEU B 120 16.613 -8.460 -3.980 1.00 0.00 C ATOM 1185 CG LEU B 120 17.204 -9.263 -2.806 1.00 0.00 C ATOM 1186 CD1 LEU B 120 16.289 -10.418 -2.384 1.00 0.00 C ATOM 1187 CD2 LEU B 120 18.585 -9.826 -3.154 1.00 0.00 C ATOM 0 H LEU B 120 17.752 -6.456 -3.020 1.00 0.00 H new ATOM 0 HA LEU B 120 15.305 -6.860 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU B 120 15.928 -9.102 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU B 120 17.420 -8.190 -4.662 1.00 0.00 H new ATOM 0 HG LEU B 120 17.296 -8.564 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 120 16.744 -10.958 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU B 120 15.322 -10.022 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 120 16.149 -11.097 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU B 120 18.974 -10.387 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU B 120 18.502 -10.486 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU B 120 19.264 -9.006 -3.388 1.00 0.00 H new ATOM 1199 N ALA B 121 15.222 -7.299 -1.181 1.00 0.00 N ATOM 1200 CA ALA B 121 14.306 -7.490 -0.063 1.00 0.00 C ATOM 1201 C ALA B 121 13.244 -6.395 -0.047 1.00 0.00 C ATOM 1202 O ALA B 121 12.101 -6.651 0.323 1.00 0.00 O ATOM 1203 CB ALA B 121 15.068 -7.490 1.260 1.00 0.00 C ATOM 0 H ALA B 121 16.176 -7.077 -0.898 1.00 0.00 H new ATOM 0 HA ALA B 121 13.816 -8.455 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA B 121 14.368 -7.634 2.083 1.00 0.00 H new ATOM 0 HB2 ALA B 121 15.798 -8.299 1.259 1.00 0.00 H new ATOM 0 HB3 ALA B 121 15.583 -6.537 1.384 1.00 0.00 H new ATOM 1209 N LEU B 122 13.612 -5.178 -0.448 1.00 0.00 N ATOM 1210 CA LEU B 122 12.736 -4.016 -0.525 1.00 0.00 C ATOM 1211 C LEU B 122 11.604 -4.253 -1.524 1.00 0.00 C ATOM 1212 O LEU B 122 10.557 -3.618 -1.378 1.00 0.00 O ATOM 1213 CB LEU B 122 13.550 -2.747 -0.887 1.00 0.00 C ATOM 1214 CG LEU B 122 13.670 -1.659 0.193 1.00 0.00 C ATOM 1215 CD1 LEU B 122 12.298 -1.101 0.571 1.00 0.00 C ATOM 1216 CD2 LEU B 122 14.410 -2.140 1.446 1.00 0.00 C ATOM 0 H LEU B 122 14.567 -4.970 -0.739 1.00 0.00 H new ATOM 0 HA LEU B 122 12.284 -3.859 0.454 1.00 0.00 H new ATOM 0 HB2 LEU B 122 14.556 -3.059 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU B 122 13.099 -2.297 -1.772 1.00 0.00 H new ATOM 0 HG LEU B 122 14.269 -0.862 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU B 122 12.415 -0.334 1.336 1.00 0.00 H new ATOM 0 HD12 LEU B 122 11.827 -0.665 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU B 122 11.672 -1.905 0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 122 14.463 -1.328 2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 122 13.875 -2.983 1.883 1.00 0.00 H new ATOM 0 HD23 LEU B 122 15.419 -2.451 1.176 1.00 0.00 H new ATOM 1228 N ASP B 123 11.800 -5.085 -2.557 1.00 0.00 N ATOM 1229 CA ASP B 123 10.776 -5.363 -3.573 1.00 0.00 C ATOM 1230 C ASP B 123 9.491 -5.943 -2.952 1.00 0.00 C ATOM 1231 O ASP B 123 8.469 -5.244 -3.000 1.00 0.00 O ATOM 1232 CB ASP B 123 11.323 -6.238 -4.725 1.00 0.00 C ATOM 1233 CG ASP B 123 12.288 -5.522 -5.674 1.00 0.00 C ATOM 1234 OD1 ASP B 123 12.038 -4.340 -6.020 1.00 0.00 O ATOM 1235 OD2 ASP B 123 13.311 -6.131 -6.064 1.00 0.00 O ATOM 0 H ASP B 123 12.676 -5.585 -2.711 1.00 0.00 H new ATOM 0 HA ASP B 123 10.501 -4.406 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP B 123 11.831 -7.102 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP B 123 10.482 -6.618 -5.304 1.00 0.00 H new ATOM 1240 N PRO B 124 9.505 -7.130 -2.305 1.00 0.00 N ATOM 1241 CA PRO B 124 8.309 -7.711 -1.708 1.00 0.00 C ATOM 1242 C PRO B 124 7.863 -6.981 -0.441 1.00 0.00 C ATOM 1243 O PRO B 124 6.712 -7.143 -0.042 1.00 0.00 O ATOM 1244 CB PRO B 124 8.652 -9.171 -1.392 1.00 0.00 C ATOM 1245 CG PRO B 124 10.148 -9.086 -1.113 1.00 0.00 C ATOM 1246 CD PRO B 124 10.602 -8.072 -2.159 1.00 0.00 C ATOM 0 HA PRO B 124 7.473 -7.626 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO B 124 8.096 -9.545 -0.532 1.00 0.00 H new ATOM 0 HB3 PRO B 124 8.429 -9.834 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO B 124 10.356 -8.748 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO B 124 10.642 -10.050 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO B 124 11.513 -7.564 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO B 124 10.825 -8.562 -3.107 1.00 0.00 H new ATOM 1254 N MET B 125 8.733 -6.198 0.215 1.00 0.00 N ATOM 1255 CA MET B 125 8.374 -5.465 1.433 1.00 0.00 C ATOM 1256 C MET B 125 7.211 -4.533 1.107 1.00 0.00 C ATOM 1257 O MET B 125 6.262 -4.434 1.876 1.00 0.00 O ATOM 1258 CB MET B 125 9.572 -4.705 2.004 1.00 0.00 C ATOM 1259 CG MET B 125 10.574 -5.646 2.685 1.00 0.00 C ATOM 1260 SD MET B 125 10.327 -5.990 4.447 1.00 0.00 S ATOM 1261 CE MET B 125 10.750 -4.377 5.146 1.00 0.00 C ATOM 0 H MET B 125 9.698 -6.057 -0.083 1.00 0.00 H new ATOM 0 HA MET B 125 8.067 -6.167 2.208 1.00 0.00 H new ATOM 0 HB2 MET B 125 10.072 -4.160 1.203 1.00 0.00 H new ATOM 0 HB3 MET B 125 9.223 -3.964 2.723 1.00 0.00 H new ATOM 0 HG2 MET B 125 10.561 -6.596 2.151 1.00 0.00 H new ATOM 0 HG3 MET B 125 11.571 -5.224 2.560 1.00 0.00 H new ATOM 0 HE1 MET B 125 11.049 -4.499 6.187 1.00 0.00 H new ATOM 0 HE2 MET B 125 11.573 -3.940 4.581 1.00 0.00 H new ATOM 0 HE3 MET B 125 9.883 -3.718 5.092 1.00 0.00 H new ATOM 1271 N MET B 126 7.297 -3.814 -0.013 1.00 0.00 N ATOM 1272 CA MET B 126 6.209 -2.934 -0.441 1.00 0.00 C ATOM 1273 C MET B 126 5.069 -3.774 -1.003 1.00 0.00 C ATOM 1274 O MET B 126 3.922 -3.518 -0.671 1.00 0.00 O ATOM 1275 CB MET B 126 6.715 -1.925 -1.480 1.00 0.00 C ATOM 1276 CG MET B 126 5.643 -1.238 -2.343 1.00 0.00 C ATOM 1277 SD MET B 126 6.278 -0.055 -3.571 1.00 0.00 S ATOM 1278 CE MET B 126 7.300 -1.164 -4.582 1.00 0.00 C ATOM 0 H MET B 126 8.104 -3.823 -0.637 1.00 0.00 H new ATOM 0 HA MET B 126 5.839 -2.371 0.416 1.00 0.00 H new ATOM 0 HB2 MET B 126 7.281 -1.153 -0.959 1.00 0.00 H new ATOM 0 HB3 MET B 126 7.411 -2.438 -2.144 1.00 0.00 H new ATOM 0 HG2 MET B 126 5.072 -2.006 -2.864 1.00 0.00 H new ATOM 0 HG3 MET B 126 4.949 -0.716 -1.684 1.00 0.00 H new ATOM 0 HE1 MET B 126 7.533 -0.680 -5.530 1.00 0.00 H new ATOM 0 HE2 MET B 126 8.226 -1.390 -4.052 1.00 0.00 H new ATOM 0 HE3 MET B 126 6.755 -2.089 -4.771 1.00 0.00 H new ATOM 1288 N GLU B 127 5.365 -4.772 -1.832 1.00 0.00 N ATOM 1289 CA GLU B 127 4.341 -5.606 -2.451 1.00 0.00 C ATOM 1290 C GLU B 127 3.376 -6.210 -1.436 1.00 0.00 C ATOM 1291 O GLU B 127 2.176 -6.040 -1.613 1.00 0.00 O ATOM 1292 CB GLU B 127 4.979 -6.679 -3.335 1.00 0.00 C ATOM 1293 CG GLU B 127 3.936 -7.358 -4.231 1.00 0.00 C ATOM 1294 CD GLU B 127 4.636 -8.082 -5.375 1.00 0.00 C ATOM 1295 OE1 GLU B 127 4.937 -7.405 -6.387 1.00 0.00 O ATOM 1296 OE2 GLU B 127 4.973 -9.280 -5.221 1.00 0.00 O ATOM 0 H GLU B 127 6.319 -5.024 -2.092 1.00 0.00 H new ATOM 0 HA GLU B 127 3.739 -4.955 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU B 127 5.755 -6.229 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU B 127 5.465 -7.427 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU B 127 3.346 -8.065 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU B 127 3.244 -6.615 -4.627 1.00 0.00 H new ATOM 1303 N GLN B 128 3.868 -6.853 -0.376 1.00 0.00 N ATOM 1304 CA GLN B 128 3.017 -7.459 0.640 1.00 0.00 C ATOM 1305 C GLN B 128 2.141 -6.413 1.326 1.00 0.00 C ATOM 1306 O GLN B 128 0.940 -6.619 1.497 1.00 0.00 O ATOM 1307 CB GLN B 128 3.894 -8.194 1.666 1.00 0.00 C ATOM 1308 CG GLN B 128 3.123 -8.896 2.798 1.00 0.00 C ATOM 1309 CD GLN B 128 2.800 -7.985 3.987 1.00 0.00 C ATOM 1310 OE1 GLN B 128 3.668 -7.670 4.795 1.00 0.00 O ATOM 1311 NE2 GLN B 128 1.559 -7.539 4.118 1.00 0.00 N ATOM 0 H GLN B 128 4.866 -6.966 -0.201 1.00 0.00 H new ATOM 0 HA GLN B 128 2.350 -8.174 0.158 1.00 0.00 H new ATOM 0 HB2 GLN B 128 4.495 -8.937 1.142 1.00 0.00 H new ATOM 0 HB3 GLN B 128 4.587 -7.478 2.108 1.00 0.00 H new ATOM 0 HG2 GLN B 128 2.192 -9.297 2.396 1.00 0.00 H new ATOM 0 HG3 GLN B 128 3.709 -9.744 3.152 1.00 0.00 H new ATOM 0 HE21 GLN B 128 0.846 -7.808 3.440 1.00 0.00 H new ATOM 0 HE22 GLN B 128 1.317 -6.927 4.897 1.00 0.00 H new ATOM 1320 N GLU B 129 2.740 -5.304 1.757 1.00 0.00 N ATOM 1321 CA GLU B 129 2.008 -4.250 2.447 1.00 0.00 C ATOM 1322 C GLU B 129 0.923 -3.654 1.535 1.00 0.00 C ATOM 1323 O GLU B 129 -0.161 -3.322 2.021 1.00 0.00 O ATOM 1324 CB GLU B 129 2.992 -3.201 2.983 1.00 0.00 C ATOM 1325 CG GLU B 129 4.031 -3.743 3.983 1.00 0.00 C ATOM 1326 CD GLU B 129 3.679 -3.457 5.445 1.00 0.00 C ATOM 1327 OE1 GLU B 129 3.797 -2.279 5.867 1.00 0.00 O ATOM 1328 OE2 GLU B 129 3.314 -4.406 6.182 1.00 0.00 O ATOM 0 H GLU B 129 3.735 -5.114 1.638 1.00 0.00 H new ATOM 0 HA GLU B 129 1.483 -4.667 3.307 1.00 0.00 H new ATOM 0 HB2 GLU B 129 3.519 -2.753 2.140 1.00 0.00 H new ATOM 0 HB3 GLU B 129 2.425 -2.404 3.465 1.00 0.00 H new ATOM 0 HG2 GLU B 129 4.129 -4.820 3.845 1.00 0.00 H new ATOM 0 HG3 GLU B 129 5.003 -3.303 3.759 1.00 0.00 H new ATOM 1335 N ILE B 130 1.194 -3.534 0.230 1.00 0.00 N ATOM 1336 CA ILE B 130 0.268 -3.012 -0.764 1.00 0.00 C ATOM 1337 C ILE B 130 -0.824 -4.051 -0.986 1.00 0.00 C ATOM 1338 O ILE B 130 -1.991 -3.681 -0.904 1.00 0.00 O ATOM 1339 CB ILE B 130 1.018 -2.654 -2.086 1.00 0.00 C ATOM 1340 CG1 ILE B 130 1.516 -1.194 -2.148 1.00 0.00 C ATOM 1341 CG2 ILE B 130 0.172 -2.828 -3.367 1.00 0.00 C ATOM 1342 CD1 ILE B 130 2.273 -0.670 -0.946 1.00 0.00 C ATOM 0 H ILE B 130 2.092 -3.807 -0.168 1.00 0.00 H new ATOM 0 HA ILE B 130 -0.188 -2.087 -0.411 1.00 0.00 H new ATOM 0 HB ILE B 130 1.846 -3.363 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE B 130 2.159 -1.093 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE B 130 0.653 -0.549 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE B 130 0.770 -2.558 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE B 130 -0.147 -3.867 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -0.705 -2.182 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE B 130 2.564 0.366 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE B 130 1.636 -0.723 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE B 130 3.165 -1.275 -0.786 1.00 0.00 H new ATOM 1354 N GLU B 131 -0.480 -5.309 -1.295 1.00 0.00 N ATOM 1355 CA GLU B 131 -1.445 -6.372 -1.560 1.00 0.00 C ATOM 1356 C GLU B 131 -2.416 -6.482 -0.402 1.00 0.00 C ATOM 1357 O GLU B 131 -3.610 -6.600 -0.647 1.00 0.00 O ATOM 1358 CB GLU B 131 -0.812 -7.721 -1.964 1.00 0.00 C ATOM 1359 CG GLU B 131 -0.544 -8.714 -0.815 1.00 0.00 C ATOM 1360 CD GLU B 131 0.008 -10.071 -1.260 1.00 0.00 C ATOM 1361 OE1 GLU B 131 0.056 -10.356 -2.477 1.00 0.00 O ATOM 1362 OE2 GLU B 131 0.359 -10.892 -0.381 1.00 0.00 O ATOM 0 H GLU B 131 0.490 -5.615 -1.368 1.00 0.00 H new ATOM 0 HA GLU B 131 -2.005 -6.088 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -1.467 -8.204 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU B 131 0.132 -7.519 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU B 131 0.161 -8.261 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -1.473 -8.876 -0.269 1.00 0.00 H new ATOM 1369 N GLU B 132 -1.922 -6.379 0.832 1.00 0.00 N ATOM 1370 CA GLU B 132 -2.748 -6.440 2.018 1.00 0.00 C ATOM 1371 C GLU B 132 -3.782 -5.320 1.911 1.00 0.00 C ATOM 1372 O GLU B 132 -4.969 -5.595 2.052 1.00 0.00 O ATOM 1373 CB GLU B 132 -1.861 -6.336 3.270 1.00 0.00 C ATOM 1374 CG GLU B 132 -2.611 -6.077 4.589 1.00 0.00 C ATOM 1375 CD GLU B 132 -3.524 -7.218 5.036 1.00 0.00 C ATOM 1376 OE1 GLU B 132 -2.996 -8.261 5.480 1.00 0.00 O ATOM 1377 OE2 GLU B 132 -4.762 -7.047 5.056 1.00 0.00 O ATOM 0 H GLU B 132 -0.929 -6.250 1.028 1.00 0.00 H new ATOM 0 HA GLU B 132 -3.278 -7.389 2.103 1.00 0.00 H new ATOM 0 HB2 GLU B 132 -1.293 -7.261 3.370 1.00 0.00 H new ATOM 0 HB3 GLU B 132 -1.139 -5.533 3.118 1.00 0.00 H new ATOM 0 HG2 GLU B 132 -1.881 -5.884 5.375 1.00 0.00 H new ATOM 0 HG3 GLU B 132 -3.209 -5.172 4.480 1.00 0.00 H new ATOM 1384 N ILE B 133 -3.395 -4.070 1.617 1.00 0.00 N ATOM 1385 CA ILE B 133 -4.384 -3.003 1.535 1.00 0.00 C ATOM 1386 C ILE B 133 -5.338 -3.243 0.368 1.00 0.00 C ATOM 1387 O ILE B 133 -6.545 -3.028 0.509 1.00 0.00 O ATOM 1388 CB ILE B 133 -3.724 -1.619 1.451 1.00 0.00 C ATOM 1389 CG1 ILE B 133 -2.868 -1.330 2.694 1.00 0.00 C ATOM 1390 CG2 ILE B 133 -4.804 -0.522 1.358 1.00 0.00 C ATOM 1391 CD1 ILE B 133 -1.851 -0.237 2.409 1.00 0.00 C ATOM 0 H ILE B 133 -2.432 -3.785 1.438 1.00 0.00 H new ATOM 0 HA ILE B 133 -4.967 -3.017 2.456 1.00 0.00 H new ATOM 0 HB ILE B 133 -3.091 -1.617 0.564 1.00 0.00 H new ATOM 0 HG12 ILE B 133 -3.511 -1.028 3.521 1.00 0.00 H new ATOM 0 HG13 ILE B 133 -2.353 -2.239 3.006 1.00 0.00 H new ATOM 0 HG21 ILE B 133 -4.326 0.456 1.299 1.00 0.00 H new ATOM 0 HG22 ILE B 133 -5.411 -0.683 0.467 1.00 0.00 H new ATOM 0 HG23 ILE B 133 -5.440 -0.562 2.242 1.00 0.00 H new ATOM 0 HD11 ILE B 133 -1.257 -0.050 3.304 1.00 0.00 H new ATOM 0 HD12 ILE B 133 -1.195 -0.553 1.598 1.00 0.00 H new ATOM 0 HD13 ILE B 133 -2.370 0.677 2.121 1.00 0.00 H new ATOM 1403 N ARG B 134 -4.830 -3.670 -0.787 1.00 0.00 N ATOM 1404 CA ARG B 134 -5.668 -3.900 -1.954 1.00 0.00 C ATOM 1405 C ARG B 134 -6.704 -4.956 -1.635 1.00 0.00 C ATOM 1406 O ARG B 134 -7.880 -4.736 -1.903 1.00 0.00 O ATOM 1407 CB ARG B 134 -4.840 -4.301 -3.185 1.00 0.00 C ATOM 1408 CG ARG B 134 -3.798 -3.233 -3.551 1.00 0.00 C ATOM 1409 CD ARG B 134 -3.448 -3.208 -5.032 1.00 0.00 C ATOM 1410 NE ARG B 134 -4.586 -2.753 -5.845 1.00 0.00 N ATOM 1411 CZ ARG B 134 -4.542 -2.072 -6.991 1.00 0.00 C ATOM 1412 NH1 ARG B 134 -3.397 -1.768 -7.583 1.00 0.00 N ATOM 1413 NH2 ARG B 134 -5.679 -1.688 -7.546 1.00 0.00 N ATOM 0 H ARG B 134 -3.840 -3.863 -0.936 1.00 0.00 H new ATOM 0 HA ARG B 134 -6.170 -2.965 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -4.336 -5.248 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -5.506 -4.463 -4.033 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -4.176 -2.253 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -2.890 -3.410 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -2.596 -2.548 -5.195 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -3.145 -4.205 -5.353 1.00 0.00 H new ATOM 0 HE ARG B 134 -5.515 -2.985 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -2.513 -2.056 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -3.399 -1.246 -8.459 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -6.567 -1.914 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -5.668 -1.166 -8.422 1.00 0.00 H new ATOM 1427 N GLN B 135 -6.304 -6.071 -1.043 1.00 0.00 N ATOM 1428 CA GLN B 135 -7.186 -7.167 -0.693 1.00 0.00 C ATOM 1429 C GLN B 135 -8.189 -6.735 0.375 1.00 0.00 C ATOM 1430 O GLN B 135 -9.404 -6.868 0.180 1.00 0.00 O ATOM 1431 CB GLN B 135 -6.349 -8.368 -0.237 1.00 0.00 C ATOM 1432 CG GLN B 135 -5.572 -8.952 -1.426 1.00 0.00 C ATOM 1433 CD GLN B 135 -6.496 -9.629 -2.422 1.00 0.00 C ATOM 1434 OE1 GLN B 135 -7.183 -10.593 -2.093 1.00 0.00 O ATOM 1435 NE2 GLN B 135 -6.598 -9.130 -3.643 1.00 0.00 N ATOM 0 H GLN B 135 -5.331 -6.240 -0.787 1.00 0.00 H new ATOM 0 HA GLN B 135 -7.763 -7.463 -1.569 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -5.655 -8.061 0.546 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -6.998 -9.131 0.193 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -5.019 -8.157 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -4.838 -9.672 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -6.028 -8.330 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -7.247 -9.546 -4.311 1.00 0.00 H new ATOM 1444 N LYS B 136 -7.711 -6.164 1.480 1.00 0.00 N ATOM 1445 CA LYS B 136 -8.546 -5.711 2.590 1.00 0.00 C ATOM 1446 C LYS B 136 -9.596 -4.713 2.107 1.00 0.00 C ATOM 1447 O LYS B 136 -10.787 -4.880 2.377 1.00 0.00 O ATOM 1448 CB LYS B 136 -7.643 -5.221 3.745 1.00 0.00 C ATOM 1449 CG LYS B 136 -7.415 -3.715 3.915 1.00 0.00 C ATOM 1450 CD LYS B 136 -6.290 -3.450 4.925 1.00 0.00 C ATOM 1451 CE LYS B 136 -5.888 -1.972 4.891 1.00 0.00 C ATOM 1452 NZ LYS B 136 -6.137 -1.261 6.157 1.00 0.00 N ATOM 0 H LYS B 136 -6.715 -6.001 1.631 1.00 0.00 H new ATOM 0 HA LYS B 136 -9.130 -6.535 3.000 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -8.065 -5.598 4.677 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -6.667 -5.691 3.623 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -7.160 -3.269 2.953 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -8.335 -3.238 4.254 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -6.620 -3.722 5.928 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -5.428 -4.075 4.692 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -4.829 -1.898 4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -6.436 -1.474 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -6.581 -0.342 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -6.770 -1.829 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -5.236 -1.109 6.653 1.00 0.00 H new ATOM 1466 N TYR B 137 -9.186 -3.690 1.358 1.00 0.00 N ATOM 1467 CA TYR B 137 -10.098 -2.684 0.848 1.00 0.00 C ATOM 1468 C TYR B 137 -10.946 -3.208 -0.305 1.00 0.00 C ATOM 1469 O TYR B 137 -12.095 -2.783 -0.390 1.00 0.00 O ATOM 1470 CB TYR B 137 -9.359 -1.367 0.591 1.00 0.00 C ATOM 1471 CG TYR B 137 -8.892 -0.616 1.844 1.00 0.00 C ATOM 1472 CD1 TYR B 137 -9.374 -0.906 3.142 1.00 0.00 C ATOM 1473 CD2 TYR B 137 -7.950 0.414 1.703 1.00 0.00 C ATOM 1474 CE1 TYR B 137 -8.931 -0.176 4.261 1.00 0.00 C ATOM 1475 CE2 TYR B 137 -7.481 1.132 2.815 1.00 0.00 C ATOM 1476 CZ TYR B 137 -7.972 0.849 4.102 1.00 0.00 C ATOM 1477 OH TYR B 137 -7.514 1.525 5.191 1.00 0.00 O ATOM 0 H TYR B 137 -8.213 -3.541 1.092 1.00 0.00 H new ATOM 0 HA TYR B 137 -10.838 -2.447 1.612 1.00 0.00 H new ATOM 0 HB2 TYR B 137 -8.489 -1.574 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR B 137 -10.013 -0.710 0.017 1.00 0.00 H new ATOM 0 HD1 TYR B 137 -10.093 -1.700 3.277 1.00 0.00 H new ATOM 0 HD2 TYR B 137 -7.578 0.660 0.719 1.00 0.00 H new ATOM 0 HE1 TYR B 137 -9.324 -0.400 5.242 1.00 0.00 H new ATOM 0 HE2 TYR B 137 -6.739 1.906 2.681 1.00 0.00 H new ATOM 0 HH TYR B 137 -6.858 2.196 4.908 1.00 0.00 H new ATOM 1487 N GLN B 138 -10.472 -4.147 -1.135 1.00 0.00 N ATOM 1488 CA GLN B 138 -11.279 -4.702 -2.225 1.00 0.00 C ATOM 1489 C GLN B 138 -12.459 -5.411 -1.571 1.00 0.00 C ATOM 1490 O GLN B 138 -13.593 -5.192 -1.979 1.00 0.00 O ATOM 1491 CB GLN B 138 -10.474 -5.665 -3.124 1.00 0.00 C ATOM 1492 CG GLN B 138 -11.310 -6.452 -4.150 1.00 0.00 C ATOM 1493 CD GLN B 138 -12.166 -5.591 -5.081 1.00 0.00 C ATOM 1494 OE1 GLN B 138 -11.925 -4.405 -5.299 1.00 0.00 O ATOM 1495 NE2 GLN B 138 -13.188 -6.173 -5.673 1.00 0.00 N ATOM 0 H GLN B 138 -9.532 -4.537 -1.070 1.00 0.00 H new ATOM 0 HA GLN B 138 -11.614 -3.904 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -9.717 -5.091 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.945 -6.375 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.637 -7.058 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.963 -7.140 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -13.389 -7.157 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -13.779 -5.640 -6.312 1.00 0.00 H new ATOM 1504 N SER B 139 -12.205 -6.178 -0.506 1.00 0.00 N ATOM 1505 CA SER B 139 -13.232 -6.899 0.244 1.00 0.00 C ATOM 1506 C SER B 139 -14.290 -5.907 0.720 1.00 0.00 C ATOM 1507 O SER B 139 -15.477 -6.161 0.582 1.00 0.00 O ATOM 1508 CB SER B 139 -12.581 -7.676 1.396 1.00 0.00 C ATOM 1509 OG SER B 139 -11.451 -8.410 0.931 1.00 0.00 O ATOM 0 H SER B 139 -11.264 -6.316 -0.137 1.00 0.00 H new ATOM 0 HA SER B 139 -13.732 -7.632 -0.389 1.00 0.00 H new ATOM 0 HB2 SER B 139 -12.274 -6.984 2.181 1.00 0.00 H new ATOM 0 HB3 SER B 139 -13.307 -8.358 1.838 1.00 0.00 H new ATOM 0 HG SER B 139 -10.665 -7.825 0.914 1.00 0.00 H new ATOM 1515 N LYS B 140 -13.873 -4.729 1.197 1.00 0.00 N ATOM 1516 CA LYS B 140 -14.799 -3.695 1.650 1.00 0.00 C ATOM 1517 C LYS B 140 -15.494 -2.980 0.487 1.00 0.00 C ATOM 1518 O LYS B 140 -16.559 -2.402 0.706 1.00 0.00 O ATOM 1519 CB LYS B 140 -14.073 -2.699 2.560 1.00 0.00 C ATOM 1520 CG LYS B 140 -13.732 -3.329 3.922 1.00 0.00 C ATOM 1521 CD LYS B 140 -13.580 -2.270 5.018 1.00 0.00 C ATOM 1522 CE LYS B 140 -12.467 -1.266 4.710 1.00 0.00 C ATOM 1523 NZ LYS B 140 -12.513 -0.120 5.636 1.00 0.00 N ATOM 0 H LYS B 140 -12.890 -4.470 1.278 1.00 0.00 H new ATOM 0 HA LYS B 140 -15.586 -4.187 2.222 1.00 0.00 H new ATOM 0 HB2 LYS B 140 -13.158 -2.361 2.075 1.00 0.00 H new ATOM 0 HB3 LYS B 140 -14.698 -1.819 2.711 1.00 0.00 H new ATOM 0 HG2 LYS B 140 -14.516 -4.033 4.203 1.00 0.00 H new ATOM 0 HG3 LYS B 140 -12.807 -3.899 3.837 1.00 0.00 H new ATOM 0 HD2 LYS B 140 -14.523 -1.737 5.138 1.00 0.00 H new ATOM 0 HD3 LYS B 140 -13.369 -2.762 5.968 1.00 0.00 H new ATOM 0 HE2 LYS B 140 -11.498 -1.759 4.785 1.00 0.00 H new ATOM 0 HE3 LYS B 140 -12.566 -0.912 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 140 -11.747 0.545 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 140 -13.430 0.363 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 140 -12.394 -0.458 6.612 1.00 0.00 H new ATOM 1537 N ARG B 141 -14.896 -2.935 -0.707 1.00 0.00 N ATOM 1538 CA ARG B 141 -15.436 -2.304 -1.913 1.00 0.00 C ATOM 1539 C ARG B 141 -16.482 -3.191 -2.586 1.00 0.00 C ATOM 1540 O ARG B 141 -17.496 -2.679 -3.045 1.00 0.00 O ATOM 1541 CB ARG B 141 -14.295 -1.963 -2.892 1.00 0.00 C ATOM 1542 CG ARG B 141 -14.723 -0.899 -3.913 1.00 0.00 C ATOM 1543 CD ARG B 141 -13.642 -0.708 -4.981 1.00 0.00 C ATOM 1544 NE ARG B 141 -13.904 0.465 -5.838 1.00 0.00 N ATOM 1545 CZ ARG B 141 -14.188 0.480 -7.149 1.00 0.00 C ATOM 1546 NH1 ARG B 141 -14.396 -0.653 -7.811 1.00 0.00 N ATOM 1547 NH2 ARG B 141 -14.270 1.625 -7.818 1.00 0.00 N ATOM 0 H ARG B 141 -13.981 -3.357 -0.866 1.00 0.00 H new ATOM 0 HA ARG B 141 -15.932 -1.379 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG B 141 -13.431 -1.604 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG B 141 -13.983 -2.866 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG B 141 -15.659 -1.197 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG B 141 -14.909 0.047 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG B 141 -12.672 -0.592 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG B 141 -13.584 -1.603 -5.601 1.00 0.00 H new ATOM 0 HE ARG B 141 -13.864 1.374 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG B 141 -14.340 -1.547 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG B 141 -14.611 -0.629 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG B 141 -14.116 2.510 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG B 141 -14.487 1.619 -8.815 1.00 0.00 H new ATOM 1561 N GLN B 142 -16.250 -4.499 -2.618 1.00 0.00 N ATOM 1562 CA GLN B 142 -17.090 -5.533 -3.209 1.00 0.00 C ATOM 1563 C GLN B 142 -18.579 -5.344 -2.849 1.00 0.00 C ATOM 1564 O GLN B 142 -19.383 -5.122 -3.754 1.00 0.00 O ATOM 1565 CB GLN B 142 -16.457 -6.908 -2.885 1.00 0.00 C ATOM 1566 CG GLN B 142 -16.726 -8.005 -3.918 1.00 0.00 C ATOM 1567 CD GLN B 142 -18.183 -8.440 -3.940 1.00 0.00 C ATOM 1568 OE1 GLN B 142 -18.737 -8.870 -2.928 1.00 0.00 O ATOM 1569 NE2 GLN B 142 -18.822 -8.357 -5.084 1.00 0.00 N ATOM 0 H GLN B 142 -15.407 -4.893 -2.200 1.00 0.00 H new ATOM 0 HA GLN B 142 -17.116 -5.461 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN B 142 -15.379 -6.780 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN B 142 -16.829 -7.243 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN B 142 -16.443 -7.645 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN B 142 -16.096 -8.867 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN B 142 -18.344 -7.998 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN B 142 -19.796 -8.652 -5.146 1.00 0.00 H new ATOM 1578 N PRO B 143 -18.989 -5.325 -1.567 1.00 0.00 N ATOM 1579 CA PRO B 143 -20.387 -5.139 -1.198 1.00 0.00 C ATOM 1580 C PRO B 143 -20.906 -3.745 -1.554 1.00 0.00 C ATOM 1581 O PRO B 143 -22.118 -3.561 -1.591 1.00 0.00 O ATOM 1582 CB PRO B 143 -20.457 -5.358 0.318 1.00 0.00 C ATOM 1583 CG PRO B 143 -19.047 -4.998 0.764 1.00 0.00 C ATOM 1584 CD PRO B 143 -18.205 -5.546 -0.371 1.00 0.00 C ATOM 0 HA PRO B 143 -21.015 -5.840 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO B 143 -21.207 -4.721 0.787 1.00 0.00 H new ATOM 0 HB3 PRO B 143 -20.712 -6.388 0.569 1.00 0.00 H new ATOM 0 HG2 PRO B 143 -18.920 -3.922 0.883 1.00 0.00 H new ATOM 0 HG3 PRO B 143 -18.792 -5.457 1.719 1.00 0.00 H new ATOM 0 HD2 PRO B 143 -17.244 -5.035 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO B 143 -17.994 -6.606 -0.229 1.00 0.00 H new ATOM 1592 N ILE B 144 -20.041 -2.744 -1.739 1.00 0.00 N ATOM 1593 CA ILE B 144 -20.452 -1.391 -2.083 1.00 0.00 C ATOM 1594 C ILE B 144 -20.936 -1.390 -3.532 1.00 0.00 C ATOM 1595 O ILE B 144 -22.024 -0.872 -3.790 1.00 0.00 O ATOM 1596 CB ILE B 144 -19.329 -0.371 -1.793 1.00 0.00 C ATOM 1597 CG1 ILE B 144 -18.924 -0.374 -0.304 1.00 0.00 C ATOM 1598 CG2 ILE B 144 -19.818 1.036 -2.124 1.00 0.00 C ATOM 1599 CD1 ILE B 144 -17.700 0.499 0.005 1.00 0.00 C ATOM 0 H ILE B 144 -19.031 -2.856 -1.652 1.00 0.00 H new ATOM 0 HA ILE B 144 -21.282 -1.069 -1.454 1.00 0.00 H new ATOM 0 HB ILE B 144 -18.472 -0.654 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -19.767 -0.026 0.293 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -18.716 -1.398 0.005 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -19.025 1.755 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -20.091 1.088 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -20.688 1.272 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -17.476 0.447 1.070 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -16.843 0.139 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -17.911 1.532 -0.271 1.00 0.00 H new ATOM 1611 N LEU B 145 -20.162 -1.955 -4.468 1.00 0.00 N ATOM 1612 CA LEU B 145 -20.596 -1.984 -5.869 1.00 0.00 C ATOM 1613 C LEU B 145 -21.847 -2.828 -5.948 1.00 0.00 C ATOM 1614 O LEU B 145 -22.830 -2.429 -6.570 1.00 0.00 O ATOM 1615 CB LEU B 145 -19.614 -2.625 -6.872 1.00 0.00 C ATOM 1616 CG LEU B 145 -18.125 -2.410 -6.646 1.00 0.00 C ATOM 1617 CD1 LEU B 145 -17.341 -2.873 -7.879 1.00 0.00 C ATOM 1618 CD2 LEU B 145 -17.737 -0.949 -6.389 1.00 0.00 C ATOM 0 H LEU B 145 -19.256 -2.387 -4.288 1.00 0.00 H new ATOM 0 HA LEU B 145 -20.711 -0.936 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -19.799 -3.699 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -19.859 -2.250 -7.866 1.00 0.00 H new ATOM 0 HG LEU B 145 -17.882 -2.988 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU B 145 -16.275 -2.717 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -17.530 -3.932 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -17.660 -2.299 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -16.660 -0.880 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -18.023 -0.340 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -18.252 -0.587 -5.499 1.00 0.00 H new ATOM 1630 N ASP B 146 -21.825 -3.958 -5.238 1.00 0.00 N ATOM 1631 CA ASP B 146 -22.943 -4.872 -5.276 1.00 0.00 C ATOM 1632 C ASP B 146 -24.226 -4.216 -4.767 1.00 0.00 C ATOM 1633 O ASP B 146 -25.313 -4.478 -5.281 1.00 0.00 O ATOM 1634 CB ASP B 146 -22.639 -6.137 -4.471 1.00 0.00 C ATOM 1635 CG ASP B 146 -21.657 -7.090 -5.153 1.00 0.00 C ATOM 1636 OD1 ASP B 146 -20.936 -6.703 -6.105 1.00 0.00 O ATOM 1637 OD2 ASP B 146 -21.585 -8.257 -4.710 1.00 0.00 O ATOM 0 H ASP B 146 -21.051 -4.250 -4.641 1.00 0.00 H new ATOM 0 HA ASP B 146 -23.100 -5.149 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -22.235 -5.849 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -23.572 -6.668 -4.282 1.00 0.00 H new ATOM 1642 N ALA B 147 -24.101 -3.347 -3.758 1.00 0.00 N ATOM 1643 CA ALA B 147 -25.216 -2.641 -3.158 1.00 0.00 C ATOM 1644 C ALA B 147 -25.831 -1.632 -4.122 1.00 0.00 C ATOM 1645 O ALA B 147 -27.057 -1.558 -4.177 1.00 0.00 O ATOM 1646 CB ALA B 147 -24.777 -1.949 -1.868 1.00 0.00 C ATOM 0 H ALA B 147 -23.202 -3.117 -3.335 1.00 0.00 H new ATOM 0 HA ALA B 147 -25.983 -3.378 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA B 147 -25.626 -1.424 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA B 147 -24.408 -2.694 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA B 147 -23.984 -1.235 -2.090 1.00 0.00 H new ATOM 1652 N ILE B 148 -25.038 -0.815 -4.825 1.00 0.00 N ATOM 1653 CA ILE B 148 -25.616 0.152 -5.765 1.00 0.00 C ATOM 1654 C ILE B 148 -26.226 -0.590 -6.953 1.00 0.00 C ATOM 1655 O ILE B 148 -27.256 -0.179 -7.478 1.00 0.00 O ATOM 1656 CB ILE B 148 -24.603 1.242 -6.170 1.00 0.00 C ATOM 1657 CG1 ILE B 148 -25.266 2.368 -6.979 1.00 0.00 C ATOM 1658 CG2 ILE B 148 -23.375 0.696 -6.902 1.00 0.00 C ATOM 1659 CD1 ILE B 148 -24.487 3.688 -6.923 1.00 0.00 C ATOM 0 H ILE B 148 -24.020 -0.802 -4.764 1.00 0.00 H new ATOM 0 HA ILE B 148 -26.422 0.694 -5.271 1.00 0.00 H new ATOM 0 HB ILE B 148 -24.241 1.661 -5.231 1.00 0.00 H new ATOM 0 HG12 ILE B 148 -25.361 2.053 -8.018 1.00 0.00 H new ATOM 0 HG13 ILE B 148 -26.275 2.532 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE B 148 -22.707 1.519 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE B 148 -22.852 -0.011 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE B 148 -23.690 0.190 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE B 148 -25.007 4.442 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE B 148 -24.414 4.024 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE B 148 -23.486 3.537 -7.327 1.00 0.00 H new ATOM 1671 N GLU B 149 -25.613 -1.706 -7.344 1.00 0.00 N ATOM 1672 CA GLU B 149 -26.054 -2.541 -8.446 1.00 0.00 C ATOM 1673 C GLU B 149 -27.353 -3.275 -8.085 1.00 0.00 C ATOM 1674 O GLU B 149 -27.956 -3.922 -8.939 1.00 0.00 O ATOM 1675 CB GLU B 149 -24.910 -3.458 -8.892 1.00 0.00 C ATOM 1676 CG GLU B 149 -23.840 -2.623 -9.611 1.00 0.00 C ATOM 1677 CD GLU B 149 -22.535 -3.368 -9.869 1.00 0.00 C ATOM 1678 OE1 GLU B 149 -22.527 -4.614 -9.950 1.00 0.00 O ATOM 1679 OE2 GLU B 149 -21.521 -2.667 -10.114 1.00 0.00 O ATOM 0 H GLU B 149 -24.773 -2.059 -6.886 1.00 0.00 H new ATOM 0 HA GLU B 149 -26.305 -1.926 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU B 149 -24.475 -3.962 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU B 149 -25.289 -4.234 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU B 149 -24.243 -2.279 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU B 149 -23.627 -1.735 -9.015 1.00 0.00 H new ATOM 1686 N ALA B 150 -27.742 -3.271 -6.805 1.00 0.00 N ATOM 1687 CA ALA B 150 -28.960 -3.878 -6.286 1.00 0.00 C ATOM 1688 C ALA B 150 -30.117 -2.853 -6.306 1.00 0.00 C ATOM 1689 O ALA B 150 -31.139 -3.083 -5.656 1.00 0.00 O ATOM 1690 CB ALA B 150 -28.703 -4.431 -4.873 1.00 0.00 C ATOM 0 H ALA B 150 -27.188 -2.823 -6.075 1.00 0.00 H new ATOM 0 HA ALA B 150 -29.255 -4.713 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA B 150 -29.616 -4.884 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA B 150 -27.914 -5.182 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA B 150 -28.396 -3.618 -4.215 1.00 0.00 H new ATOM 1696 N LYS B 151 -29.962 -1.710 -6.991 1.00 0.00 N ATOM 1697 CA LYS B 151 -30.943 -0.640 -7.103 1.00 0.00 C ATOM 1698 C LYS B 151 -31.216 -0.440 -8.582 1.00 0.00 C ATOM 1699 O LYS B 151 -30.307 0.015 -9.317 1.00 0.00 O ATOM 1700 CB LYS B 151 -30.410 0.636 -6.422 1.00 0.00 C ATOM 1701 CG LYS B 151 -29.849 0.385 -5.015 1.00 0.00 C ATOM 1702 CD LYS B 151 -30.922 0.068 -3.965 1.00 0.00 C ATOM 1703 CE LYS B 151 -31.749 1.313 -3.616 1.00 0.00 C ATOM 1704 NZ LYS B 151 -31.767 1.571 -2.156 1.00 0.00 N ATOM 0 H LYS B 151 -29.105 -1.505 -7.504 1.00 0.00 H new ATOM 0 HA LYS B 151 -31.875 -0.890 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS B 151 -29.629 1.072 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS B 151 -31.214 1.369 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS B 151 -29.142 -0.443 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS B 151 -29.290 1.265 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS B 151 -31.581 -0.715 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS B 151 -30.448 -0.320 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS B 151 -31.337 2.180 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS B 151 -32.770 1.183 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 151 -32.335 2.420 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 151 -32.183 0.755 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 151 -30.795 1.720 -1.818 1.00 0.00 H new TER 1718 LYS B 151