USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1242 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: B 602 SER OG : rot 120:sc= 1.26 USER MOD Set 1.2: B 605 SER OG : rot -115:sc= -0.43 USER MOD Set 2.1: A 81 ASN : amide:sc= -6.54! C(o=-13!,f=-6.4!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -6.31! K(o=-13!,f=-6.4) USER MOD Set 3.1: A 39 SER OG : rot 83:sc= 1.18 USER MOD Set 3.2: A 110 SER OG : rot 160:sc= -0.374 USER MOD Single : A 0 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.37) USER MOD Single : A 0 HIS N :NH3+ -122:sc= 0.277 (180deg=-0.0277) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.545 (180deg=-2.25!) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -1.79 (180deg=-1.96) USER MOD Single : A 3 SER OG : rot 180:sc= -1.92! USER MOD Single : A 4 THR OG1 : rot -74:sc= -2.59! USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= -6.2! (180deg=-6.41!) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00358 USER MOD Single : A 9 TYR OH : rot -53:sc= -3.73! USER MOD Single : A 13 LYS NZ :NH3+ -130:sc= -1.7 (180deg=-2.78!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -134:sc= 1.05 USER MOD Single : A 27 ASN : amide:sc= -3.78! K(o=-3.8!,f=-0.21) USER MOD Single : A 33 CYS SG : rot 110:sc= -2.33 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -1.5! (180deg=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -0.857 (180deg=-0.857) USER MOD Single : A 49 TYR OH : rot 150:sc= -6.61! USER MOD Single : A 56 THR OG1 : rot 118:sc= 0.832 USER MOD Single : A 59 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.65) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 91 MET CE :methyl -167:sc= -0.917 (180deg=-1.36) USER MOD Single : A 92 SER OG : rot 180:sc= -0.644 USER MOD Single : A 95 TYR OH : rot 30:sc= -0.404 USER MOD Single : A 96 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -167:sc= 0.0679! USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.975! USER MOD Single : A 109 TYR OH : rot 180:sc= -2.27 USER MOD Single : A 113 ASN : amide:sc= -0.874 K(o=-0.87,f=-1.6) USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.98 USER MOD Single : B 599 HIS : no HD1:sc= -1.95! K(o=-2!,f=-0.56) USER MOD Single : B 600 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 608 LYS NZ :NH3+ -173:sc= -2.16! (180deg=-2.44!) USER MOD Single : B 609 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.6!) USER MOD Single : B 616 ASN : amide:sc= -0.204! C(o=-0.2!,f=-7.2!) USER MOD Single : B 626 SER OG : rot 160:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -21.173 -11.227 5.227 1.00 1.12 N ATOM 2 CA HIS A 0 -19.799 -11.304 5.691 1.00 61.45 C ATOM 3 C HIS A 0 -18.964 -10.219 5.010 1.00 35.31 C ATOM 4 O HIS A 0 -19.437 -9.550 4.093 1.00 72.51 O ATOM 5 CB HIS A 0 -19.232 -12.710 5.477 1.00 53.13 C ATOM 6 CG HIS A 0 -19.420 -13.241 4.075 1.00 32.11 C ATOM 7 ND1 HIS A 0 -20.600 -13.822 3.646 1.00 32.05 N ATOM 8 CD2 HIS A 0 -18.567 -13.272 3.011 1.00 50.51 C ATOM 9 CE1 HIS A 0 -20.453 -14.184 2.380 1.00 52.22 C ATOM 10 NE2 HIS A 0 -19.191 -13.842 1.990 1.00 53.24 N ATOM 0 H1 HIS A 0 -21.806 -11.084 6.039 1.00 1.12 H new ATOM 0 H2 HIS A 0 -21.272 -10.430 4.566 1.00 1.12 H new ATOM 0 H3 HIS A 0 -21.426 -12.112 4.743 1.00 1.12 H new ATOM 0 HA HIS A 0 -19.764 -11.119 6.765 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -18.168 -12.701 5.712 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -19.708 -13.394 6.180 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -17.555 -12.896 3.002 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -21.200 -14.665 1.766 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -18.793 -13.999 1.064 1.00 53.24 H new ATOM 19 N MET A 1 -17.737 -10.075 5.488 1.00 60.44 N ATOM 20 CA MET A 1 -16.831 -9.081 4.935 1.00 22.32 C ATOM 21 C MET A 1 -15.528 -9.729 4.461 1.00 4.00 C ATOM 22 O MET A 1 -15.201 -10.843 4.868 1.00 44.45 O ATOM 23 CB MET A 1 -16.519 -8.029 6.001 1.00 71.22 C ATOM 24 CG MET A 1 -15.869 -8.668 7.230 1.00 15.14 C ATOM 25 SD MET A 1 -15.719 -7.462 8.538 1.00 51.34 S ATOM 26 CE MET A 1 -17.408 -6.893 8.630 1.00 14.51 C ATOM 0 H MET A 1 -17.349 -10.629 6.251 1.00 60.44 H new ATOM 0 HA MET A 1 -17.314 -8.612 4.078 1.00 22.32 H new ATOM 0 HB2 MET A 1 -15.854 -7.272 5.586 1.00 71.22 H new ATOM 0 HB3 MET A 1 -17.437 -7.520 6.294 1.00 71.22 H new ATOM 0 HG2 MET A 1 -16.468 -9.513 7.570 1.00 15.14 H new ATOM 0 HG3 MET A 1 -14.885 -9.059 6.970 1.00 15.14 H new ATOM 0 HE1 MET A 1 -17.616 -6.531 9.637 1.00 14.51 H new ATOM 0 HE2 MET A 1 -17.559 -6.084 7.915 1.00 14.51 H new ATOM 0 HE3 MET A 1 -18.083 -7.716 8.394 1.00 14.51 H new ATOM 36 N LYS A 2 -14.820 -9.005 3.607 1.00 62.51 N ATOM 37 CA LYS A 2 -13.562 -9.494 3.073 1.00 10.34 C ATOM 38 C LYS A 2 -12.475 -8.439 3.290 1.00 43.14 C ATOM 39 O LYS A 2 -11.412 -8.740 3.830 1.00 64.10 O ATOM 40 CB LYS A 2 -13.726 -9.914 1.612 1.00 5.43 C ATOM 41 CG LYS A 2 -15.054 -10.644 1.398 1.00 43.31 C ATOM 42 CD LYS A 2 -15.337 -10.843 -0.093 1.00 21.51 C ATOM 43 CE LYS A 2 -14.060 -11.211 -0.848 1.00 53.32 C ATOM 44 NZ LYS A 2 -14.336 -11.357 -2.295 1.00 45.41 N ATOM 0 H LYS A 2 -15.095 -8.082 3.272 1.00 62.51 H new ATOM 0 HA LYS A 2 -13.247 -10.392 3.605 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -13.683 -9.034 0.970 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -12.899 -10.562 1.321 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -15.026 -11.612 1.899 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -15.864 -10.073 1.852 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -16.081 -11.629 -0.224 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -15.761 -9.930 -0.511 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -13.304 -10.442 -0.692 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -13.653 -12.142 -0.454 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -13.533 -11.831 -2.756 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -15.197 -11.926 -2.429 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -14.473 -10.417 -2.719 1.00 45.41 H new ATOM 58 N SER A 3 -12.781 -7.224 2.859 1.00 55.01 N ATOM 59 CA SER A 3 -11.843 -6.123 2.999 1.00 1.34 C ATOM 60 C SER A 3 -12.076 -5.405 4.330 1.00 53.21 C ATOM 61 O SER A 3 -13.203 -5.339 4.817 1.00 52.14 O ATOM 62 CB SER A 3 -11.972 -5.139 1.835 1.00 61.21 C ATOM 63 OG SER A 3 -12.070 -5.805 0.579 1.00 4.25 O ATOM 0 H SER A 3 -13.665 -6.978 2.413 1.00 55.01 H new ATOM 0 HA SER A 3 -10.832 -6.530 2.985 1.00 1.34 H new ATOM 0 HB2 SER A 3 -12.853 -4.515 1.984 1.00 61.21 H new ATOM 0 HB3 SER A 3 -11.109 -4.474 1.826 1.00 61.21 H new ATOM 0 HG SER A 3 -12.153 -5.142 -0.138 1.00 4.25 H new ATOM 69 N THR A 4 -10.989 -4.883 4.882 1.00 53.15 N ATOM 70 CA THR A 4 -11.060 -4.172 6.147 1.00 1.20 C ATOM 71 C THR A 4 -10.313 -2.841 6.053 1.00 34.02 C ATOM 72 O THR A 4 -10.933 -1.784 5.954 1.00 52.13 O ATOM 73 CB THR A 4 -10.520 -5.097 7.240 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.160 -5.315 6.870 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.147 -6.492 7.190 1.00 74.44 C ATOM 0 H THR A 4 -10.055 -4.939 4.476 1.00 53.15 H new ATOM 0 HA THR A 4 -12.089 -3.914 6.399 1.00 1.20 H new ATOM 0 HB THR A 4 -10.705 -4.650 8.217 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.123 -5.925 6.104 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.729 -7.108 7.986 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.226 -6.411 7.322 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.933 -6.953 6.225 1.00 74.44 H new ATOM 83 N PHE A 5 -8.992 -2.937 6.087 1.00 11.00 N ATOM 84 CA PHE A 5 -8.154 -1.752 6.007 1.00 22.31 C ATOM 85 C PHE A 5 -8.479 -0.934 4.757 1.00 41.51 C ATOM 86 O PHE A 5 -8.123 0.241 4.670 1.00 44.32 O ATOM 87 CB PHE A 5 -6.705 -2.236 5.925 1.00 64.21 C ATOM 88 CG PHE A 5 -5.697 -1.129 5.609 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.568 -0.668 4.336 1.00 75.11 C ATOM 90 CD2 PHE A 5 -4.929 -0.605 6.602 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.634 0.360 4.043 1.00 33.11 C ATOM 92 CE2 PHE A 5 -3.994 0.423 6.310 1.00 0.14 C ATOM 93 CZ PHE A 5 -3.865 0.884 5.037 1.00 2.25 C ATOM 0 H PHE A 5 -8.481 -3.816 6.169 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.322 -1.117 6.876 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.434 -2.701 6.873 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.633 -3.008 5.159 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.177 -1.085 3.547 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.030 -0.971 7.613 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -4.533 0.726 3.032 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.385 0.839 7.099 1.00 0.14 H new ATOM 0 HZ PHE A 5 -3.153 1.665 4.815 1.00 2.25 H new ATOM 103 N LYS A 6 -9.150 -1.586 3.820 1.00 54.43 N ATOM 104 CA LYS A 6 -9.528 -0.933 2.578 1.00 61.10 C ATOM 105 C LYS A 6 -10.994 -0.507 2.655 1.00 23.11 C ATOM 106 O LYS A 6 -11.405 0.444 1.993 1.00 53.24 O ATOM 107 CB LYS A 6 -9.211 -1.834 1.381 1.00 72.11 C ATOM 108 CG LYS A 6 -8.575 -1.033 0.244 1.00 41.42 C ATOM 109 CD LYS A 6 -9.549 -0.872 -0.924 1.00 55.05 C ATOM 110 CE LYS A 6 -9.583 -2.133 -1.788 1.00 11.24 C ATOM 111 NZ LYS A 6 -10.351 -3.203 -1.114 1.00 41.43 N ATOM 0 H LYS A 6 -9.442 -2.560 3.895 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.941 -0.027 2.431 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -8.536 -2.631 1.691 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -10.126 -2.310 1.028 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.275 -0.051 0.610 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.671 -1.536 -0.099 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -10.548 -0.661 -0.542 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -9.254 -0.018 -1.533 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.034 -1.907 -2.754 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.566 -2.475 -1.983 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.436 -4.022 -1.749 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -9.858 -3.489 -0.244 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -11.300 -2.851 -0.874 1.00 41.43 H new ATOM 125 N SER A 7 -11.747 -1.233 3.469 1.00 32.24 N ATOM 126 CA SER A 7 -13.160 -0.942 3.642 1.00 10.10 C ATOM 127 C SER A 7 -13.347 0.105 4.741 1.00 13.42 C ATOM 128 O SER A 7 -14.476 0.428 5.109 1.00 63.35 O ATOM 129 CB SER A 7 -13.946 -2.211 3.979 1.00 44.33 C ATOM 130 OG SER A 7 -14.280 -2.281 5.363 1.00 52.21 O ATOM 0 H SER A 7 -11.405 -2.023 4.016 1.00 32.24 H new ATOM 0 HA SER A 7 -13.546 -0.547 2.702 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.859 -2.241 3.384 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.357 -3.086 3.704 1.00 44.33 H new ATOM 0 HG SER A 7 -14.782 -3.104 5.537 1.00 52.21 H new ATOM 136 N GLU A 8 -12.225 0.607 5.234 1.00 33.03 N ATOM 137 CA GLU A 8 -12.252 1.612 6.284 1.00 53.01 C ATOM 138 C GLU A 8 -12.362 3.011 5.676 1.00 75.05 C ATOM 139 O GLU A 8 -13.039 3.879 6.225 1.00 11.10 O ATOM 140 CB GLU A 8 -11.018 1.500 7.181 1.00 50.33 C ATOM 141 CG GLU A 8 -11.413 1.510 8.660 1.00 33.05 C ATOM 142 CD GLU A 8 -12.450 0.424 8.958 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.614 0.741 9.243 1.00 71.32 O ATOM 144 OE2 GLU A 8 -12.009 -0.786 8.884 1.00 31.12 O ATOM 0 H GLU A 8 -11.291 0.337 4.926 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.130 1.437 6.906 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.479 0.581 6.951 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.339 2.328 6.977 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.529 1.353 9.277 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.817 2.487 8.926 1.00 33.05 H new ATOM 152 N TYR A 9 -11.685 3.187 4.550 1.00 11.51 N ATOM 153 CA TYR A 9 -11.698 4.467 3.862 1.00 34.03 C ATOM 154 C TYR A 9 -11.687 4.273 2.343 1.00 13.04 C ATOM 155 O TYR A 9 -11.470 3.164 1.857 1.00 20.14 O ATOM 156 CB TYR A 9 -10.415 5.185 4.282 1.00 23.45 C ATOM 157 CG TYR A 9 -9.282 4.244 4.695 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.522 3.615 3.729 1.00 32.35 C ATOM 159 CD2 TYR A 9 -9.020 4.024 6.031 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.455 2.728 4.118 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.953 3.137 6.420 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.224 2.533 5.443 1.00 24.23 C ATOM 163 OH TYR A 9 -6.217 1.697 5.810 1.00 62.13 O ATOM 0 H TYR A 9 -11.124 2.465 4.097 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.595 5.031 4.118 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.073 5.808 3.456 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.640 5.853 5.114 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -8.727 3.788 2.683 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -9.615 4.517 6.786 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -6.852 2.229 3.373 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -7.737 2.956 7.463 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.327 0.834 5.358 1.00 62.13 H new ATOM 173 N PRO A 10 -11.931 5.397 1.619 1.00 21.33 N ATOM 174 CA PRO A 10 -11.949 5.362 0.167 1.00 5.43 C ATOM 175 C PRO A 10 -10.530 5.263 -0.399 1.00 23.30 C ATOM 176 O PRO A 10 -9.558 5.262 0.354 1.00 24.20 O ATOM 177 CB PRO A 10 -12.666 6.637 -0.249 1.00 2.54 C ATOM 178 CG PRO A 10 -12.609 7.558 0.958 1.00 23.32 C ATOM 179 CD PRO A 10 -12.192 6.728 2.160 1.00 44.44 C ATOM 0 HA PRO A 10 -12.463 4.485 -0.225 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.182 7.094 -1.112 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.697 6.430 -0.534 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -11.898 8.367 0.788 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.581 8.020 1.132 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.304 7.142 2.638 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -12.978 6.702 2.915 1.00 44.44 H new ATOM 187 N PHE A 11 -10.459 5.180 -1.719 1.00 12.11 N ATOM 188 CA PHE A 11 -9.176 5.081 -2.395 1.00 25.15 C ATOM 189 C PHE A 11 -8.322 6.324 -2.135 1.00 3.34 C ATOM 190 O PHE A 11 -7.182 6.216 -1.687 1.00 13.02 O ATOM 191 CB PHE A 11 -9.464 4.979 -3.892 1.00 73.12 C ATOM 192 CG PHE A 11 -8.314 5.453 -4.782 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.200 6.769 -5.102 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.407 4.556 -5.254 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.131 7.209 -5.927 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.339 4.997 -6.080 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.224 6.314 -6.399 1.00 72.02 C ATOM 0 H PHE A 11 -11.269 5.179 -2.339 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.629 4.213 -2.027 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.695 3.942 -4.137 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.353 5.567 -4.121 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.922 7.480 -4.729 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.499 3.510 -5.001 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.039 8.255 -6.179 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.618 4.286 -6.455 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.412 6.649 -7.027 1.00 72.02 H new ATOM 207 N GLU A 12 -8.907 7.476 -2.429 1.00 32.21 N ATOM 208 CA GLU A 12 -8.214 8.739 -2.234 1.00 43.50 C ATOM 209 C GLU A 12 -7.552 8.773 -0.856 1.00 41.32 C ATOM 210 O GLU A 12 -6.348 8.996 -0.747 1.00 72.13 O ATOM 211 CB GLU A 12 -9.169 9.921 -2.413 1.00 61.12 C ATOM 212 CG GLU A 12 -9.493 10.145 -3.892 1.00 72.25 C ATOM 213 CD GLU A 12 -10.729 9.346 -4.309 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.549 8.980 -3.452 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.824 9.105 -5.572 1.00 20.32 O ATOM 0 H GLU A 12 -9.853 7.562 -2.801 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.435 8.825 -2.992 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.090 9.736 -1.859 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -8.721 10.822 -1.995 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.663 11.206 -4.074 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -8.641 9.849 -4.504 1.00 72.25 H new ATOM 223 N LYS A 13 -8.367 8.550 0.164 1.00 5.43 N ATOM 224 CA LYS A 13 -7.876 8.552 1.531 1.00 64.41 C ATOM 225 C LYS A 13 -6.579 7.744 1.604 1.00 40.34 C ATOM 226 O LYS A 13 -5.703 8.040 2.414 1.00 3.22 O ATOM 227 CB LYS A 13 -8.961 8.061 2.492 1.00 65.01 C ATOM 228 CG LYS A 13 -8.395 7.857 3.899 1.00 14.12 C ATOM 229 CD LYS A 13 -8.215 9.195 4.617 1.00 72.31 C ATOM 230 CE LYS A 13 -9.500 10.023 4.564 1.00 2.41 C ATOM 231 NZ LYS A 13 -9.486 10.926 3.392 1.00 34.20 N ATOM 0 H LYS A 13 -9.366 8.366 0.071 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.638 9.567 1.848 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.777 8.783 2.525 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.380 7.124 2.125 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.065 7.218 4.475 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.437 7.341 3.838 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.934 9.020 5.655 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.400 9.752 4.156 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -10.364 9.361 4.510 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.602 10.607 5.479 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.723 11.892 3.695 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -8.539 10.921 2.961 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -10.186 10.601 2.695 1.00 34.20 H new ATOM 245 N ARG A 14 -6.497 6.738 0.744 1.00 61.35 N ATOM 246 CA ARG A 14 -5.322 5.884 0.701 1.00 70.54 C ATOM 247 C ARG A 14 -4.238 6.519 -0.173 1.00 72.40 C ATOM 248 O ARG A 14 -3.050 6.386 0.114 1.00 21.25 O ATOM 249 CB ARG A 14 -5.668 4.500 0.149 1.00 65.45 C ATOM 250 CG ARG A 14 -6.809 3.861 0.941 1.00 13.40 C ATOM 251 CD ARG A 14 -7.416 2.683 0.178 1.00 22.22 C ATOM 252 NE ARG A 14 -6.384 2.047 -0.672 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.559 1.064 -0.254 1.00 43.14 C ATOM 254 NH1 ARG A 14 -5.636 0.596 1.009 1.00 33.03 N ATOM 255 NH2 ARG A 14 -4.675 0.569 -1.100 1.00 2.22 N ATOM 0 H ARG A 14 -7.225 6.496 0.072 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.953 5.773 1.721 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.952 4.584 -0.900 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -4.788 3.858 0.191 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.439 3.520 1.908 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -7.580 4.606 1.140 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.821 1.954 0.880 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -8.246 3.027 -0.439 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.291 2.372 -1.634 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -6.322 0.985 1.656 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -5.009 -0.147 1.317 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -4.623 0.930 -2.053 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -4.044 -0.174 -0.801 1.00 2.22 H new ATOM 269 N LYS A 15 -4.686 7.194 -1.221 1.00 2.20 N ATOM 270 CA LYS A 15 -3.769 7.849 -2.137 1.00 31.35 C ATOM 271 C LYS A 15 -2.986 8.926 -1.386 1.00 5.31 C ATOM 272 O LYS A 15 -1.778 9.065 -1.570 1.00 31.23 O ATOM 273 CB LYS A 15 -4.521 8.377 -3.361 1.00 63.02 C ATOM 274 CG LYS A 15 -4.770 9.881 -3.243 1.00 33.43 C ATOM 275 CD LYS A 15 -5.625 10.389 -4.408 1.00 1.00 C ATOM 276 CE LYS A 15 -5.949 11.875 -4.245 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.174 12.504 -5.565 1.00 61.42 N ATOM 0 H LYS A 15 -5.673 7.301 -1.456 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.041 7.135 -2.521 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.946 8.169 -4.263 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.472 7.854 -3.462 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.270 10.097 -2.299 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.818 10.411 -3.228 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.096 10.230 -5.348 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.550 9.815 -4.461 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.836 11.994 -3.623 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.130 12.378 -3.731 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.393 13.513 -5.436 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.317 12.407 -6.146 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.971 12.035 -6.042 1.00 61.42 H new ATOM 291 N ALA A 16 -3.706 9.662 -0.551 1.00 43.45 N ATOM 292 CA ALA A 16 -3.093 10.723 0.231 1.00 33.41 C ATOM 293 C ALA A 16 -2.156 10.108 1.271 1.00 52.13 C ATOM 294 O ALA A 16 -1.208 10.752 1.718 1.00 11.03 O ATOM 295 CB ALA A 16 -4.185 11.585 0.867 1.00 50.03 C ATOM 0 H ALA A 16 -4.708 9.544 -0.399 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.495 11.373 -0.407 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.725 12.381 1.453 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.805 12.023 0.085 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.804 10.967 1.517 1.00 50.03 H new ATOM 301 N GLU A 17 -2.453 8.867 1.629 1.00 45.42 N ATOM 302 CA GLU A 17 -1.649 8.156 2.609 1.00 11.22 C ATOM 303 C GLU A 17 -0.294 7.776 2.009 1.00 13.51 C ATOM 304 O GLU A 17 0.740 8.305 2.414 1.00 44.12 O ATOM 305 CB GLU A 17 -2.385 6.922 3.130 1.00 32.21 C ATOM 306 CG GLU A 17 -1.422 5.967 3.838 1.00 41.44 C ATOM 307 CD GLU A 17 -0.866 6.597 5.117 1.00 1.55 C ATOM 308 OE1 GLU A 17 0.014 6.010 5.765 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.380 7.737 5.430 1.00 63.21 O ATOM 0 H GLU A 17 -3.240 8.335 1.257 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.475 8.818 3.457 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.172 7.228 3.819 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.870 6.407 2.301 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.938 5.038 4.081 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.601 5.710 3.168 1.00 41.44 H new ATOM 317 N SER A 18 -0.344 6.860 1.053 1.00 32.43 N ATOM 318 CA SER A 18 0.866 6.401 0.394 1.00 63.41 C ATOM 319 C SER A 18 1.725 7.599 -0.017 1.00 73.40 C ATOM 320 O SER A 18 2.939 7.476 -0.167 1.00 73.04 O ATOM 321 CB SER A 18 0.536 5.541 -0.828 1.00 72.20 C ATOM 322 OG SER A 18 0.392 6.326 -2.010 1.00 23.24 O ATOM 0 H SER A 18 -1.203 6.424 0.719 1.00 32.43 H new ATOM 0 HA SER A 18 1.425 5.785 1.098 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.325 4.804 -0.976 1.00 72.20 H new ATOM 0 HB3 SER A 18 -0.386 4.989 -0.645 1.00 72.20 H new ATOM 0 HG SER A 18 -0.414 6.046 -2.492 1.00 23.24 H new ATOM 328 N GLU A 19 1.059 8.732 -0.188 1.00 72.31 N ATOM 329 CA GLU A 19 1.746 9.952 -0.579 1.00 1.34 C ATOM 330 C GLU A 19 2.740 10.372 0.506 1.00 3.30 C ATOM 331 O GLU A 19 3.863 10.769 0.204 1.00 22.02 O ATOM 332 CB GLU A 19 0.746 11.073 -0.873 1.00 51.31 C ATOM 333 CG GLU A 19 0.105 10.889 -2.249 1.00 25.43 C ATOM 334 CD GLU A 19 0.877 11.660 -3.321 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.499 11.045 -4.200 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.814 12.944 -3.221 1.00 13.54 O ATOM 0 H GLU A 19 0.052 8.831 -0.063 1.00 72.31 H new ATOM 0 HA GLU A 19 2.302 9.756 -1.496 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.028 11.085 -0.106 1.00 51.31 H new ATOM 0 HB3 GLU A 19 1.252 12.037 -0.830 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.081 9.830 -2.504 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -0.929 11.234 -2.222 1.00 25.43 H new ATOM 344 N ARG A 20 2.288 10.271 1.748 1.00 64.42 N ATOM 345 CA ARG A 20 3.123 10.637 2.880 1.00 61.32 C ATOM 346 C ARG A 20 4.141 9.531 3.167 1.00 72.54 C ATOM 347 O ARG A 20 5.277 9.811 3.547 1.00 12.42 O ATOM 348 CB ARG A 20 2.279 10.880 4.132 1.00 21.21 C ATOM 349 CG ARG A 20 1.108 11.817 3.829 1.00 4.23 C ATOM 350 CD ARG A 20 -0.029 11.617 4.835 1.00 54.55 C ATOM 351 NE ARG A 20 0.521 11.497 6.203 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.099 10.852 7.214 1.00 55.13 C ATOM 353 NH1 ARG A 20 -1.298 10.264 7.017 1.00 61.44 N ATOM 354 NH2 ARG A 20 0.483 10.807 8.397 1.00 74.03 N ATOM 0 H ARG A 20 1.355 9.941 1.995 1.00 64.42 H new ATOM 0 HA ARG A 20 3.644 11.559 2.623 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.901 9.930 4.510 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.901 11.311 4.917 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.448 12.852 3.860 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.742 11.632 2.819 1.00 4.23 H new ATOM 0 HD2 ARG A 20 -0.722 12.457 4.785 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.596 10.721 4.582 1.00 54.55 H new ATOM 0 HE ARG A 20 1.425 11.929 6.394 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.742 10.305 6.099 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.760 9.778 7.786 1.00 61.44 H new ATOM 0 HH21 ARG A 20 1.388 11.256 8.537 1.00 74.03 H new ATOM 0 HH22 ARG A 20 0.028 10.324 9.171 1.00 74.03 H new ATOM 368 N ILE A 21 3.696 8.298 2.973 1.00 62.20 N ATOM 369 CA ILE A 21 4.555 7.148 3.207 1.00 14.54 C ATOM 370 C ILE A 21 5.772 7.229 2.281 1.00 33.24 C ATOM 371 O ILE A 21 6.784 6.575 2.522 1.00 12.23 O ATOM 372 CB ILE A 21 3.761 5.849 3.066 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.983 5.541 4.347 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.672 4.691 2.656 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.903 4.486 4.093 1.00 64.42 C ATOM 0 H ILE A 21 2.753 8.070 2.657 1.00 62.20 H new ATOM 0 HA ILE A 21 4.931 7.155 4.230 1.00 14.54 H new ATOM 0 HB ILE A 21 3.030 5.980 2.269 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.669 5.187 5.117 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.523 6.454 4.726 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.082 3.779 2.563 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.142 4.919 1.699 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.443 4.549 3.414 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.365 4.286 5.020 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.205 4.853 3.341 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.369 3.567 3.738 1.00 64.42 H new ATOM 387 N ALA A 22 5.630 8.038 1.242 1.00 53.32 N ATOM 388 CA ALA A 22 6.704 8.214 0.278 1.00 24.25 C ATOM 389 C ALA A 22 7.802 9.081 0.896 1.00 24.12 C ATOM 390 O ALA A 22 8.965 8.988 0.509 1.00 11.34 O ATOM 391 CB ALA A 22 6.142 8.813 -1.011 1.00 5.11 C ATOM 0 H ALA A 22 4.788 8.579 1.046 1.00 53.32 H new ATOM 0 HA ALA A 22 7.150 7.253 0.021 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.948 8.944 -1.733 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.389 8.143 -1.426 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.687 9.780 -0.795 1.00 5.11 H new ATOM 397 N ASP A 23 7.392 9.908 1.848 1.00 25.10 N ATOM 398 CA ASP A 23 8.326 10.793 2.523 1.00 52.05 C ATOM 399 C ASP A 23 8.805 10.130 3.817 1.00 73.32 C ATOM 400 O ASP A 23 9.969 10.264 4.192 1.00 52.31 O ATOM 401 CB ASP A 23 7.659 12.120 2.891 1.00 42.33 C ATOM 402 CG ASP A 23 8.606 13.190 3.438 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.818 12.962 3.574 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.046 14.313 3.736 1.00 10.42 O ATOM 0 H ASP A 23 6.426 9.983 2.167 1.00 25.10 H new ATOM 0 HA ASP A 23 9.159 10.983 1.847 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.160 12.516 2.007 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.885 11.927 3.634 1.00 42.33 H new ATOM 410 N ARG A 24 7.883 9.429 4.462 1.00 2.03 N ATOM 411 CA ARG A 24 8.197 8.746 5.704 1.00 72.20 C ATOM 412 C ARG A 24 9.159 7.584 5.443 1.00 42.41 C ATOM 413 O ARG A 24 10.187 7.465 6.107 1.00 42.21 O ATOM 414 CB ARG A 24 6.931 8.209 6.374 1.00 3.23 C ATOM 415 CG ARG A 24 6.524 9.086 7.562 1.00 41.44 C ATOM 416 CD ARG A 24 5.033 8.938 7.865 1.00 53.35 C ATOM 417 NE ARG A 24 4.837 8.000 8.994 1.00 3.11 N ATOM 418 CZ ARG A 24 3.709 7.288 9.200 1.00 64.41 C ATOM 419 NH1 ARG A 24 2.663 7.401 8.354 1.00 24.30 N ATOM 420 NH2 ARG A 24 3.644 6.479 10.241 1.00 54.54 N ATOM 0 H ARG A 24 6.919 9.320 4.147 1.00 2.03 H new ATOM 0 HA ARG A 24 8.667 9.470 6.370 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.118 8.174 5.648 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.100 7.187 6.713 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.107 8.808 8.440 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.753 10.129 7.344 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.605 9.910 8.110 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.508 8.572 6.982 1.00 53.35 H new ATOM 0 HE ARG A 24 5.603 7.885 9.658 1.00 3.11 H new ATOM 0 HH11 ARG A 24 2.721 8.028 7.552 1.00 24.30 H new ATOM 0 HH12 ARG A 24 1.814 6.859 8.517 1.00 24.30 H new ATOM 0 HH21 ARG A 24 4.439 6.399 10.875 1.00 54.54 H new ATOM 0 HH22 ARG A 24 2.799 5.934 10.411 1.00 54.54 H new ATOM 434 N PHE A 25 8.789 6.759 4.476 1.00 64.32 N ATOM 435 CA PHE A 25 9.606 5.611 4.119 1.00 21.45 C ATOM 436 C PHE A 25 9.642 5.414 2.602 1.00 22.31 C ATOM 437 O PHE A 25 8.791 4.726 2.042 1.00 4.20 O ATOM 438 CB PHE A 25 8.960 4.383 4.765 1.00 21.33 C ATOM 439 CG PHE A 25 8.328 4.661 6.131 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.113 4.762 7.236 1.00 62.14 C ATOM 441 CD2 PHE A 25 6.980 4.805 6.239 1.00 31.32 C ATOM 442 CE1 PHE A 25 8.527 5.019 8.505 1.00 33.12 C ATOM 443 CE2 PHE A 25 6.393 5.062 7.507 1.00 64.13 C ATOM 444 CZ PHE A 25 7.179 5.163 8.611 1.00 35.34 C ATOM 0 H PHE A 25 7.935 6.862 3.928 1.00 64.32 H new ATOM 0 HA PHE A 25 10.629 5.761 4.464 1.00 21.45 H new ATOM 0 HB2 PHE A 25 8.195 3.992 4.094 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.714 3.604 4.876 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.183 4.647 7.150 1.00 62.14 H new ATOM 0 HD2 PHE A 25 6.356 4.724 5.361 1.00 31.32 H new ATOM 0 HE1 PHE A 25 9.151 5.100 9.383 1.00 33.12 H new ATOM 0 HE2 PHE A 25 5.323 5.177 7.593 1.00 64.13 H new ATOM 0 HZ PHE A 25 6.732 5.358 9.575 1.00 35.34 H new ATOM 454 N PRO A 26 10.663 6.046 1.964 1.00 41.11 N ATOM 455 CA PRO A 26 10.822 5.947 0.524 1.00 13.25 C ATOM 456 C PRO A 26 11.375 4.577 0.125 1.00 62.02 C ATOM 457 O PRO A 26 11.090 4.082 -0.964 1.00 74.20 O ATOM 458 CB PRO A 26 11.747 7.093 0.150 1.00 14.12 C ATOM 459 CG PRO A 26 12.442 7.505 1.438 1.00 11.53 C ATOM 460 CD PRO A 26 11.692 6.868 2.595 1.00 22.31 C ATOM 0 HA PRO A 26 9.875 6.027 -0.010 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.472 6.781 -0.602 1.00 14.12 H new ATOM 0 HB3 PRO A 26 11.186 7.925 -0.274 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.482 7.179 1.432 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.448 8.590 1.538 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.357 6.264 3.213 1.00 22.31 H new ATOM 0 HD3 PRO A 26 11.251 7.624 3.245 1.00 22.31 H new ATOM 468 N ASN A 27 12.153 4.002 1.030 1.00 3.54 N ATOM 469 CA ASN A 27 12.749 2.700 0.787 1.00 53.31 C ATOM 470 C ASN A 27 11.813 1.611 1.316 1.00 42.04 C ATOM 471 O ASN A 27 12.267 0.625 1.895 1.00 41.30 O ATOM 472 CB ASN A 27 14.089 2.563 1.511 1.00 71.12 C ATOM 473 CG ASN A 27 15.182 3.360 0.797 1.00 53.14 C ATOM 474 OD1 ASN A 27 16.352 3.013 0.811 1.00 72.44 O ATOM 475 ND2 ASN A 27 14.737 4.448 0.173 1.00 54.31 N ATOM 0 H ASN A 27 12.384 4.415 1.934 1.00 3.54 H new ATOM 0 HA ASN A 27 12.908 2.596 -0.286 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.989 2.915 2.538 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.374 1.512 1.561 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.388 5.048 -0.333 1.00 54.31 H new ATOM 0 HD22 ASN A 27 13.744 4.682 0.200 1.00 54.31 H new ATOM 482 N ARG A 28 10.524 1.825 1.096 1.00 14.04 N ATOM 483 CA ARG A 28 9.521 0.873 1.542 1.00 70.34 C ATOM 484 C ARG A 28 8.639 0.442 0.369 1.00 20.11 C ATOM 485 O ARG A 28 8.725 1.010 -0.717 1.00 11.54 O ATOM 486 CB ARG A 28 8.640 1.476 2.640 1.00 32.42 C ATOM 487 CG ARG A 28 9.240 1.223 4.024 1.00 75.13 C ATOM 488 CD ARG A 28 9.109 -0.249 4.418 1.00 41.41 C ATOM 489 NE ARG A 28 9.572 -0.445 5.810 1.00 33.42 N ATOM 490 CZ ARG A 28 8.930 0.037 6.896 1.00 25.54 C ATOM 491 NH1 ARG A 28 7.791 0.747 6.758 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.434 -0.197 8.094 1.00 71.52 N ATOM 0 H ARG A 28 10.151 2.644 0.615 1.00 14.04 H new ATOM 0 HA ARG A 28 10.043 0.005 1.946 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.532 2.548 2.477 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.641 1.044 2.588 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.291 1.512 4.027 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.736 1.847 4.762 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.071 -0.568 4.323 1.00 41.41 H new ATOM 0 HD3 ARG A 28 9.696 -0.869 3.740 1.00 41.41 H new ATOM 0 HE ARG A 28 10.429 -0.977 5.958 1.00 33.42 H new ATOM 0 HH11 ARG A 28 7.409 0.923 5.829 1.00 25.31 H new ATOM 0 HH12 ARG A 28 7.312 1.108 7.583 1.00 25.31 H new ATOM 0 HH21 ARG A 28 10.296 -0.735 8.189 1.00 71.52 H new ATOM 0 HH22 ARG A 28 8.962 0.160 8.925 1.00 71.52 H new ATOM 506 N ILE A 29 7.810 -0.559 0.629 1.00 73.21 N ATOM 507 CA ILE A 29 6.914 -1.072 -0.392 1.00 73.02 C ATOM 508 C ILE A 29 5.544 -1.349 0.231 1.00 4.10 C ATOM 509 O ILE A 29 5.329 -2.406 0.822 1.00 71.12 O ATOM 510 CB ILE A 29 7.532 -2.290 -1.084 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.894 -1.943 -1.689 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.574 -2.872 -2.127 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.736 -1.055 -2.925 1.00 4.23 C ATOM 0 H ILE A 29 7.741 -1.028 1.532 1.00 73.21 H new ATOM 0 HA ILE A 29 6.765 -0.330 -1.176 1.00 73.02 H new ATOM 0 HB ILE A 29 7.699 -3.062 -0.333 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.506 -1.432 -0.946 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.419 -2.859 -1.960 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.037 -3.736 -2.604 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.648 -3.179 -1.640 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.354 -2.116 -2.881 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.719 -0.824 -3.335 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.144 -1.578 -3.676 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.232 -0.130 -2.646 1.00 4.23 H new ATOM 525 N PRO A 30 4.629 -0.357 0.072 1.00 11.44 N ATOM 526 CA PRO A 30 3.286 -0.482 0.612 1.00 41.20 C ATOM 527 C PRO A 30 2.443 -1.440 -0.233 1.00 64.02 C ATOM 528 O PRO A 30 2.253 -1.216 -1.428 1.00 31.24 O ATOM 529 CB PRO A 30 2.735 0.935 0.630 1.00 23.13 C ATOM 530 CG PRO A 30 3.607 1.733 -0.325 1.00 14.13 C ATOM 531 CD PRO A 30 4.849 0.909 -0.623 1.00 23.23 C ATOM 0 HA PRO A 30 3.274 -0.912 1.613 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.692 0.953 0.314 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.771 1.355 1.635 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.064 1.952 -1.245 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.881 2.690 0.118 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.975 0.756 -1.695 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.750 1.407 -0.264 1.00 23.23 H new ATOM 539 N VAL A 31 1.961 -2.486 0.422 1.00 35.55 N ATOM 540 CA VAL A 31 1.143 -3.480 -0.254 1.00 53.01 C ATOM 541 C VAL A 31 -0.098 -3.772 0.592 1.00 30.13 C ATOM 542 O VAL A 31 -0.218 -3.284 1.714 1.00 73.51 O ATOM 543 CB VAL A 31 1.974 -4.728 -0.550 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.448 -4.371 -0.759 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.815 -5.768 0.561 1.00 45.11 C ATOM 0 H VAL A 31 2.121 -2.667 1.413 1.00 35.55 H new ATOM 0 HA VAL A 31 0.798 -3.102 -1.216 1.00 53.01 H new ATOM 0 HB VAL A 31 1.601 -5.166 -1.476 1.00 32.41 H new ATOM 0 HG11 VAL A 31 4.016 -5.278 -0.968 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.540 -3.683 -1.600 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.839 -3.897 0.142 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.416 -6.646 0.326 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.148 -5.343 1.508 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.767 -6.057 0.642 1.00 45.11 H new ATOM 555 N ILE A 32 -0.988 -4.571 0.023 1.00 65.24 N ATOM 556 CA ILE A 32 -2.215 -4.936 0.710 1.00 51.12 C ATOM 557 C ILE A 32 -2.469 -6.434 0.529 1.00 43.11 C ATOM 558 O ILE A 32 -2.990 -6.858 -0.501 1.00 14.33 O ATOM 559 CB ILE A 32 -3.374 -4.053 0.242 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.996 -2.573 0.300 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.646 -4.353 1.039 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.111 -2.032 1.727 1.00 50.14 C ATOM 0 H ILE A 32 -0.884 -4.976 -0.907 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.121 -4.756 1.781 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.584 -4.289 -0.801 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.976 -2.440 -0.062 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.646 -2.002 -0.363 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.455 -3.713 0.688 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.924 -5.398 0.901 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.466 -4.162 2.097 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.836 -0.977 1.739 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -4.137 -2.144 2.077 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.441 -2.589 2.382 1.00 50.14 H new ATOM 574 N CYS A 33 -2.090 -7.193 1.548 1.00 2.21 N ATOM 575 CA CYS A 33 -2.270 -8.634 1.514 1.00 35.42 C ATOM 576 C CYS A 33 -3.688 -8.952 1.996 1.00 3.32 C ATOM 577 O CYS A 33 -4.066 -8.583 3.107 1.00 43.20 O ATOM 578 CB CYS A 33 -1.209 -9.356 2.347 1.00 33.30 C ATOM 579 SG CYS A 33 -0.899 -11.022 1.655 1.00 13.01 S ATOM 0 H CYS A 33 -1.659 -6.837 2.401 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.144 -8.995 0.493 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.285 -8.778 2.354 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -1.541 -9.439 3.382 1.00 33.30 H new ATOM 0 HG CYS A 33 0.286 -11.057 1.122 1.00 13.01 H new ATOM 585 N GLU A 34 -4.432 -9.633 1.137 1.00 15.11 N ATOM 586 CA GLU A 34 -5.799 -10.004 1.462 1.00 60.01 C ATOM 587 C GLU A 34 -6.051 -11.468 1.097 1.00 42.00 C ATOM 588 O GLU A 34 -5.331 -12.042 0.281 1.00 21.50 O ATOM 589 CB GLU A 34 -6.798 -9.084 0.760 1.00 74.13 C ATOM 590 CG GLU A 34 -8.230 -9.386 1.207 1.00 21.12 C ATOM 591 CD GLU A 34 -8.384 -9.192 2.716 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.967 -8.189 3.157 1.00 61.31 O ATOM 593 OE2 GLU A 34 -7.874 -10.129 3.442 1.00 64.42 O ATOM 0 H GLU A 34 -4.114 -9.937 0.217 1.00 15.11 H new ATOM 0 HA GLU A 34 -5.942 -9.887 2.536 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.556 -8.044 0.980 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.716 -9.209 -0.320 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.925 -8.733 0.680 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.490 -10.410 0.940 1.00 21.12 H new ATOM 601 N LYS A 35 -7.076 -12.031 1.720 1.00 12.15 N ATOM 602 CA LYS A 35 -7.432 -13.418 1.473 1.00 74.11 C ATOM 603 C LYS A 35 -8.604 -13.472 0.489 1.00 65.13 C ATOM 604 O LYS A 35 -9.649 -12.871 0.732 1.00 52.34 O ATOM 605 CB LYS A 35 -7.703 -14.147 2.790 1.00 54.43 C ATOM 606 CG LYS A 35 -7.354 -15.632 2.678 1.00 11.23 C ATOM 607 CD LYS A 35 -8.423 -16.388 1.888 1.00 11.40 C ATOM 608 CE LYS A 35 -9.662 -16.644 2.747 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.628 -17.499 2.021 1.00 23.43 N ATOM 0 H LYS A 35 -7.671 -11.552 2.395 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.599 -13.946 1.009 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.117 -13.692 3.589 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.753 -14.036 3.061 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.387 -15.746 2.189 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.260 -16.063 3.675 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.701 -15.814 1.004 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.017 -17.337 1.537 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.371 -17.125 3.681 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.132 -15.696 3.010 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.572 -17.392 2.443 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.661 -17.214 1.021 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.330 -18.493 2.087 1.00 23.43 H new ATOM 623 N ALA A 36 -8.389 -14.195 -0.599 1.00 44.15 N ATOM 624 CA ALA A 36 -9.413 -14.334 -1.620 1.00 42.21 C ATOM 625 C ALA A 36 -10.697 -14.868 -0.979 1.00 35.03 C ATOM 626 O ALA A 36 -10.721 -15.163 0.214 1.00 61.54 O ATOM 627 CB ALA A 36 -8.899 -15.240 -2.739 1.00 55.13 C ATOM 0 H ALA A 36 -7.520 -14.691 -0.796 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.645 -13.367 -2.066 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.668 -15.344 -3.505 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.004 -14.801 -3.180 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.658 -16.222 -2.331 1.00 55.13 H new ATOM 633 N GLU A 37 -11.730 -14.975 -1.802 1.00 33.15 N ATOM 634 CA GLU A 37 -13.013 -15.469 -1.330 1.00 72.10 C ATOM 635 C GLU A 37 -13.147 -16.964 -1.624 1.00 21.01 C ATOM 636 O GLU A 37 -13.472 -17.750 -0.736 1.00 64.00 O ATOM 637 CB GLU A 37 -14.167 -14.681 -1.954 1.00 2.12 C ATOM 638 CG GLU A 37 -14.263 -14.947 -3.457 1.00 54.13 C ATOM 639 CD GLU A 37 -15.228 -13.968 -4.126 1.00 3.31 C ATOM 640 OE1 GLU A 37 -14.826 -12.852 -4.489 1.00 60.30 O ATOM 641 OE2 GLU A 37 -16.435 -14.400 -4.266 1.00 23.54 O ATOM 0 H GLU A 37 -11.705 -14.728 -2.791 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.061 -15.326 -0.251 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.104 -14.958 -1.471 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.021 -13.615 -1.778 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.276 -14.857 -3.910 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.600 -15.969 -3.628 1.00 54.13 H new ATOM 649 N LYS A 38 -12.891 -17.312 -2.878 1.00 32.50 N ATOM 650 CA LYS A 38 -12.980 -18.700 -3.303 1.00 70.13 C ATOM 651 C LYS A 38 -12.235 -19.584 -2.299 1.00 34.33 C ATOM 652 O LYS A 38 -12.764 -20.598 -1.849 1.00 61.34 O ATOM 653 CB LYS A 38 -12.485 -18.852 -4.741 1.00 31.21 C ATOM 654 CG LYS A 38 -13.592 -18.505 -5.740 1.00 30.31 C ATOM 655 CD LYS A 38 -14.330 -19.764 -6.200 1.00 62.11 C ATOM 656 CE LYS A 38 -13.453 -20.607 -7.128 1.00 24.23 C ATOM 657 NZ LYS A 38 -14.087 -21.919 -7.389 1.00 2.33 N ATOM 0 H LYS A 38 -12.622 -16.657 -3.613 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.019 -19.031 -3.311 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.625 -18.202 -4.904 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.147 -19.875 -4.907 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.298 -17.813 -5.280 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.162 -17.996 -6.602 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -14.621 -20.356 -5.332 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -15.248 -19.483 -6.717 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.296 -20.079 -8.068 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -12.472 -20.754 -6.677 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -13.479 -22.479 -8.020 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -14.215 -22.428 -6.491 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.013 -21.774 -7.839 1.00 2.33 H new ATOM 671 N SER A 39 -11.019 -19.166 -1.979 1.00 31.52 N ATOM 672 CA SER A 39 -10.198 -19.907 -1.038 1.00 23.13 C ATOM 673 C SER A 39 -11.060 -20.428 0.112 1.00 61.22 C ATOM 674 O SER A 39 -12.143 -19.905 0.369 1.00 52.33 O ATOM 675 CB SER A 39 -9.060 -19.037 -0.497 1.00 23.31 C ATOM 676 OG SER A 39 -7.852 -19.777 -0.340 1.00 4.43 O ATOM 0 H SER A 39 -10.583 -18.324 -2.355 1.00 31.52 H new ATOM 0 HA SER A 39 -9.755 -20.753 -1.563 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.888 -18.202 -1.176 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.353 -18.613 0.463 1.00 23.31 H new ATOM 0 HG SER A 39 -7.387 -19.830 -1.201 1.00 4.43 H new ATOM 682 N ASP A 40 -10.547 -21.454 0.777 1.00 65.12 N ATOM 683 CA ASP A 40 -11.257 -22.052 1.894 1.00 2.54 C ATOM 684 C ASP A 40 -10.465 -21.815 3.182 1.00 55.42 C ATOM 685 O ASP A 40 -10.857 -22.281 4.251 1.00 54.00 O ATOM 686 CB ASP A 40 -11.409 -23.563 1.705 1.00 11.34 C ATOM 687 CG ASP A 40 -12.066 -24.298 2.875 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.300 -24.381 2.966 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.244 -24.806 3.730 1.00 14.32 O ATOM 0 H ASP A 40 -9.648 -21.886 0.563 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.244 -21.594 1.950 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.997 -23.744 0.805 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.423 -23.994 1.533 1.00 11.34 H new ATOM 695 N ILE A 41 -9.364 -21.092 3.036 1.00 65.22 N ATOM 696 CA ILE A 41 -8.512 -20.788 4.175 1.00 75.43 C ATOM 697 C ILE A 41 -9.152 -19.670 5.001 1.00 34.44 C ATOM 698 O ILE A 41 -10.086 -19.013 4.543 1.00 24.44 O ATOM 699 CB ILE A 41 -7.089 -20.473 3.710 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.882 -18.964 3.561 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.754 -21.227 2.421 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.730 -18.661 2.602 1.00 2.30 C ATOM 0 H ILE A 41 -9.042 -20.708 2.148 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.424 -21.656 4.828 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.395 -20.819 4.476 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.798 -18.502 3.192 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.673 -18.524 4.536 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.737 -20.985 2.112 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.835 -22.300 2.596 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.451 -20.933 1.636 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.604 -17.582 2.514 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.811 -19.103 2.986 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.953 -19.081 1.621 1.00 2.30 H new ATOM 714 N PRO A 42 -8.610 -19.483 6.234 1.00 50.44 N ATOM 715 CA PRO A 42 -9.118 -18.456 7.126 1.00 24.42 C ATOM 716 C PRO A 42 -8.662 -17.066 6.678 1.00 24.50 C ATOM 717 O PRO A 42 -7.464 -16.796 6.601 1.00 43.12 O ATOM 718 CB PRO A 42 -8.596 -18.837 8.502 1.00 64.40 C ATOM 719 CG PRO A 42 -7.439 -19.793 8.258 1.00 30.21 C ATOM 720 CD PRO A 42 -7.503 -20.243 6.808 1.00 32.44 C ATOM 0 HA PRO A 42 -10.207 -18.402 7.128 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.266 -17.956 9.052 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.376 -19.311 9.098 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.488 -19.301 8.463 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.505 -20.651 8.927 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.568 -20.036 6.287 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.678 -21.316 6.734 1.00 32.44 H new ATOM 728 N GLU A 43 -9.642 -16.221 6.394 1.00 42.44 N ATOM 729 CA GLU A 43 -9.357 -14.864 5.955 1.00 50.22 C ATOM 730 C GLU A 43 -8.526 -14.130 7.010 1.00 11.31 C ATOM 731 O GLU A 43 -8.748 -14.298 8.209 1.00 21.42 O ATOM 732 CB GLU A 43 -10.648 -14.105 5.647 1.00 1.13 C ATOM 733 CG GLU A 43 -10.345 -12.705 5.108 1.00 32.10 C ATOM 734 CD GLU A 43 -11.602 -11.832 5.114 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.660 -12.265 4.635 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.453 -10.665 5.644 1.00 12.44 O ATOM 0 H GLU A 43 -10.634 -16.449 6.459 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.777 -14.914 5.034 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.235 -14.661 4.916 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.253 -14.028 6.550 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.570 -12.237 5.715 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.954 -12.779 4.093 1.00 32.10 H new ATOM 744 N ILE A 44 -7.588 -13.329 6.525 1.00 60.22 N ATOM 745 CA ILE A 44 -6.724 -12.567 7.411 1.00 23.32 C ATOM 746 C ILE A 44 -7.576 -11.626 8.264 1.00 4.52 C ATOM 747 O ILE A 44 -8.785 -11.518 8.056 1.00 3.42 O ATOM 748 CB ILE A 44 -5.632 -11.854 6.612 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.517 -11.353 7.532 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.224 -10.727 5.761 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.160 -11.406 6.829 1.00 33.21 C ATOM 0 H ILE A 44 -7.408 -13.191 5.531 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.201 -13.233 8.097 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.184 -12.574 5.927 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -4.730 -10.330 7.843 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.486 -11.961 8.436 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.427 -10.236 5.203 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.953 -11.141 5.065 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.714 -10.000 6.409 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.385 -11.044 7.505 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.939 -12.434 6.541 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.187 -10.778 5.939 1.00 33.21 H new ATOM 763 N ASP A 45 -6.916 -10.967 9.204 1.00 33.03 N ATOM 764 CA ASP A 45 -7.598 -10.039 10.088 1.00 71.14 C ATOM 765 C ASP A 45 -7.852 -8.726 9.345 1.00 0.43 C ATOM 766 O ASP A 45 -8.879 -8.080 9.552 1.00 74.13 O ATOM 767 CB ASP A 45 -6.748 -9.727 11.321 1.00 41.02 C ATOM 768 CG ASP A 45 -6.908 -10.709 12.484 1.00 61.43 C ATOM 769 OD1 ASP A 45 -6.252 -11.760 12.527 1.00 63.25 O ATOM 770 OD2 ASP A 45 -7.761 -10.352 13.383 1.00 2.34 O ATOM 0 H ASP A 45 -5.914 -11.058 9.373 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.534 -10.500 10.402 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.699 -9.706 11.025 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.999 -8.727 11.673 1.00 41.02 H new ATOM 776 N LYS A 46 -6.901 -8.372 8.493 1.00 54.04 N ATOM 777 CA LYS A 46 -7.009 -7.148 7.717 1.00 51.14 C ATOM 778 C LYS A 46 -6.017 -7.198 6.554 1.00 4.32 C ATOM 779 O LYS A 46 -5.158 -8.077 6.503 1.00 25.51 O ATOM 780 CB LYS A 46 -6.838 -5.925 8.620 1.00 35.22 C ATOM 781 CG LYS A 46 -5.405 -5.392 8.555 1.00 72.31 C ATOM 782 CD LYS A 46 -4.395 -6.497 8.876 1.00 10.44 C ATOM 783 CE LYS A 46 -4.057 -6.513 10.368 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.723 -7.113 10.591 1.00 3.44 N ATOM 0 H LYS A 46 -6.052 -8.911 8.323 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.005 -7.058 7.283 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -7.535 -5.144 8.316 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.085 -6.190 9.648 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.207 -4.991 7.561 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.286 -4.570 9.260 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.802 -7.464 8.581 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.486 -6.344 8.295 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -4.076 -5.497 10.762 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -4.813 -7.080 10.912 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.509 -7.116 11.609 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.717 -8.089 10.233 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.003 -6.556 10.088 1.00 3.44 H new ATOM 798 N ARG A 47 -6.166 -6.242 5.648 1.00 22.33 N ATOM 799 CA ARG A 47 -5.294 -6.167 4.490 1.00 73.31 C ATOM 800 C ARG A 47 -4.435 -4.902 4.553 1.00 10.15 C ATOM 801 O ARG A 47 -4.871 -3.831 4.132 1.00 4.24 O ATOM 802 CB ARG A 47 -6.102 -6.160 3.191 1.00 1.04 C ATOM 803 CG ARG A 47 -6.966 -4.902 3.087 1.00 52.44 C ATOM 804 CD ARG A 47 -8.217 -5.161 2.246 1.00 32.42 C ATOM 805 NE ARG A 47 -7.951 -4.829 0.828 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.645 -5.338 -0.212 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.656 -6.209 0.000 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.322 -4.972 -1.438 1.00 1.01 N ATOM 0 H ARG A 47 -6.878 -5.513 5.694 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.652 -7.048 4.502 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.425 -6.212 2.338 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.737 -7.045 3.149 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.257 -4.573 4.085 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.385 -4.094 2.642 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.514 -6.206 2.334 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.047 -4.561 2.619 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.196 -4.174 0.624 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.899 -6.486 0.951 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.176 -6.589 -0.791 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.558 -4.314 -1.589 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -8.837 -5.348 -2.235 1.00 1.01 H new ATOM 822 N LYS A 48 -3.232 -5.068 5.082 1.00 32.22 N ATOM 823 CA LYS A 48 -2.309 -3.951 5.206 1.00 13.13 C ATOM 824 C LYS A 48 -0.913 -4.486 5.529 1.00 65.41 C ATOM 825 O LYS A 48 -0.667 -4.963 6.636 1.00 32.21 O ATOM 826 CB LYS A 48 -2.830 -2.937 6.226 1.00 2.52 C ATOM 827 CG LYS A 48 -1.841 -1.783 6.405 1.00 31.03 C ATOM 828 CD LYS A 48 -1.456 -1.175 5.055 1.00 5.15 C ATOM 829 CE LYS A 48 -0.553 0.046 5.241 1.00 62.34 C ATOM 830 NZ LYS A 48 0.871 -0.343 5.143 1.00 61.43 N ATOM 0 H LYS A 48 -2.875 -5.958 5.430 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.235 -3.410 4.263 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.794 -2.547 5.898 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -2.995 -3.431 7.183 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.283 -1.016 7.040 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.947 -2.142 6.914 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.943 -1.922 4.449 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.356 -0.887 4.512 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.784 0.795 4.484 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.745 0.503 6.212 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.470 0.497 5.272 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 1.092 -1.042 5.881 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.054 -0.759 4.207 1.00 61.43 H new ATOM 844 N TYR A 49 -0.033 -4.385 4.543 1.00 55.14 N ATOM 845 CA TYR A 49 1.333 -4.853 4.708 1.00 61.12 C ATOM 846 C TYR A 49 2.324 -3.891 4.048 1.00 45.23 C ATOM 847 O TYR A 49 2.242 -3.637 2.849 1.00 72.34 O ATOM 848 CB TYR A 49 1.405 -6.207 3.998 1.00 0.44 C ATOM 849 CG TYR A 49 0.828 -7.367 4.813 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.538 -7.490 4.965 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.674 -8.289 5.395 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.081 -8.582 5.731 1.00 10.22 C ATOM 853 CE2 TYR A 49 1.131 -9.381 6.161 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.220 -9.474 6.290 1.00 11.31 C ATOM 855 OH TYR A 49 -0.732 -10.504 7.015 1.00 30.03 O ATOM 0 H TYR A 49 -0.239 -3.986 3.627 1.00 55.14 H new ATOM 0 HA TYR A 49 1.590 -4.922 5.765 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.869 -6.139 3.052 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.446 -6.426 3.759 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.200 -6.768 4.510 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.743 -8.192 5.276 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.148 -8.690 5.859 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.781 -10.109 6.622 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.134 -11.278 6.952 1.00 30.03 H new ATOM 865 N LEU A 50 3.239 -3.385 4.861 1.00 74.33 N ATOM 866 CA LEU A 50 4.245 -2.458 4.372 1.00 43.30 C ATOM 867 C LEU A 50 5.591 -3.178 4.271 1.00 30.44 C ATOM 868 O LEU A 50 6.459 -3.002 5.127 1.00 14.21 O ATOM 869 CB LEU A 50 4.284 -1.200 5.243 1.00 73.54 C ATOM 870 CG LEU A 50 5.151 -0.052 4.725 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.018 0.094 3.207 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.829 1.253 5.456 1.00 4.24 C ATOM 0 H LEU A 50 3.305 -3.600 5.856 1.00 74.33 H new ATOM 0 HA LEU A 50 3.991 -2.115 3.369 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.264 -0.833 5.363 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.641 -1.480 6.234 1.00 73.54 H new ATOM 0 HG LEU A 50 6.193 -0.290 4.936 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.645 0.917 2.864 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.336 -0.830 2.723 1.00 24.21 H new ATOM 0 HD13 LEU A 50 3.978 0.298 2.951 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.460 2.053 5.068 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.781 1.509 5.299 1.00 4.24 H new ATOM 0 HD23 LEU A 50 5.016 1.128 6.523 1.00 4.24 H new ATOM 884 N VAL A 51 5.722 -3.974 3.220 1.00 34.04 N ATOM 885 CA VAL A 51 6.949 -4.722 2.998 1.00 63.40 C ATOM 886 C VAL A 51 8.033 -3.774 2.483 1.00 40.31 C ATOM 887 O VAL A 51 7.733 -2.786 1.815 1.00 53.13 O ATOM 888 CB VAL A 51 6.681 -5.894 2.053 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.778 -6.937 2.714 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.082 -5.408 0.732 1.00 42.33 C ATOM 0 H VAL A 51 5.000 -4.118 2.514 1.00 34.04 H new ATOM 0 HA VAL A 51 7.311 -5.151 3.933 1.00 63.40 H new ATOM 0 HB VAL A 51 7.636 -6.370 1.832 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.604 -7.759 2.020 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.260 -7.318 3.614 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.826 -6.478 2.979 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.901 -6.262 0.079 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.141 -4.894 0.927 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.777 -4.721 0.248 1.00 42.33 H new ATOM 900 N PRO A 52 9.305 -4.117 2.821 1.00 31.35 N ATOM 901 CA PRO A 52 10.436 -3.307 2.400 1.00 52.22 C ATOM 902 C PRO A 52 10.737 -3.517 0.914 1.00 45.42 C ATOM 903 O PRO A 52 10.031 -4.258 0.233 1.00 24.12 O ATOM 904 CB PRO A 52 11.582 -3.730 3.305 1.00 72.44 C ATOM 905 CG PRO A 52 11.180 -5.079 3.881 1.00 72.05 C ATOM 906 CD PRO A 52 9.698 -5.279 3.611 1.00 62.34 C ATOM 0 HA PRO A 52 10.247 -2.238 2.494 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.514 -3.806 2.745 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.744 -2.999 4.097 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.763 -5.878 3.423 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.381 -5.112 4.952 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.516 -6.207 3.068 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.131 -5.337 4.540 1.00 62.34 H new ATOM 914 N ALA A 53 11.788 -2.852 0.457 1.00 53.20 N ATOM 915 CA ALA A 53 12.192 -2.957 -0.935 1.00 13.10 C ATOM 916 C ALA A 53 13.270 -4.035 -1.069 1.00 64.41 C ATOM 917 O ALA A 53 13.998 -4.070 -2.059 1.00 65.24 O ATOM 918 CB ALA A 53 12.670 -1.591 -1.432 1.00 72.45 C ATOM 0 H ALA A 53 12.372 -2.239 1.026 1.00 53.20 H new ATOM 0 HA ALA A 53 11.348 -3.255 -1.558 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.973 -1.669 -2.476 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.860 -0.867 -1.343 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.518 -1.262 -0.832 1.00 72.45 H new ATOM 924 N ASP A 54 13.335 -4.889 -0.058 1.00 11.31 N ATOM 925 CA ASP A 54 14.310 -5.967 -0.051 1.00 24.43 C ATOM 926 C ASP A 54 13.579 -7.310 0.004 1.00 24.43 C ATOM 927 O ASP A 54 13.989 -8.270 -0.647 1.00 72.41 O ATOM 928 CB ASP A 54 15.222 -5.874 1.175 1.00 32.13 C ATOM 929 CG ASP A 54 16.483 -6.739 1.108 1.00 4.14 C ATOM 930 OD1 ASP A 54 17.508 -6.330 0.543 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.384 -7.894 1.675 1.00 61.44 O ATOM 0 H ASP A 54 12.729 -4.857 0.762 1.00 11.31 H new ATOM 0 HA ASP A 54 14.911 -5.885 -0.956 1.00 24.43 H new ATOM 0 HB2 ASP A 54 15.519 -4.834 1.310 1.00 32.13 H new ATOM 0 HB3 ASP A 54 14.650 -6.159 2.058 1.00 32.13 H new ATOM 937 N LEU A 55 12.510 -7.335 0.786 1.00 53.33 N ATOM 938 CA LEU A 55 11.719 -8.544 0.933 1.00 33.10 C ATOM 939 C LEU A 55 11.320 -9.059 -0.451 1.00 55.22 C ATOM 940 O LEU A 55 11.419 -8.334 -1.440 1.00 73.35 O ATOM 941 CB LEU A 55 10.529 -8.296 1.862 1.00 22.25 C ATOM 942 CG LEU A 55 9.951 -9.532 2.556 1.00 42.04 C ATOM 943 CD1 LEU A 55 8.987 -10.279 1.632 1.00 33.21 C ATOM 944 CD2 LEU A 55 11.066 -10.441 3.077 1.00 41.11 C ATOM 0 H LEU A 55 12.173 -6.537 1.325 1.00 53.33 H new ATOM 0 HA LEU A 55 12.308 -9.328 1.408 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.834 -7.583 2.628 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.735 -7.823 1.284 1.00 22.25 H new ATOM 0 HG LEU A 55 9.376 -9.200 3.421 1.00 42.04 H new ATOM 0 HD11 LEU A 55 8.591 -11.153 2.149 1.00 33.21 H new ATOM 0 HD12 LEU A 55 8.166 -9.619 1.353 1.00 33.21 H new ATOM 0 HD13 LEU A 55 9.517 -10.598 0.735 1.00 33.21 H new ATOM 0 HD21 LEU A 55 10.628 -11.311 3.565 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.688 -10.768 2.244 1.00 41.11 H new ATOM 0 HD23 LEU A 55 11.678 -9.893 3.793 1.00 41.11 H new ATOM 956 N THR A 56 10.879 -10.308 -0.479 1.00 33.54 N ATOM 957 CA THR A 56 10.464 -10.929 -1.726 1.00 20.24 C ATOM 958 C THR A 56 9.123 -11.642 -1.547 1.00 22.22 C ATOM 959 O THR A 56 8.558 -11.645 -0.454 1.00 33.44 O ATOM 960 CB THR A 56 11.589 -11.858 -2.187 1.00 3.12 C ATOM 961 OG1 THR A 56 11.182 -13.147 -1.735 1.00 4.55 O ATOM 962 CG2 THR A 56 12.903 -11.602 -1.446 1.00 24.15 C ATOM 0 H THR A 56 10.800 -10.907 0.342 1.00 33.54 H new ATOM 0 HA THR A 56 10.298 -10.183 -2.503 1.00 20.24 H new ATOM 0 HB THR A 56 11.746 -11.732 -3.258 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.058 -13.740 -2.506 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.667 -12.288 -1.812 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.225 -10.575 -1.620 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.755 -11.760 -0.378 1.00 24.15 H new ATOM 970 N VAL A 57 8.650 -12.228 -2.637 1.00 60.44 N ATOM 971 CA VAL A 57 7.385 -12.941 -2.615 1.00 24.01 C ATOM 972 C VAL A 57 7.524 -14.191 -1.740 1.00 24.23 C ATOM 973 O VAL A 57 6.808 -14.342 -0.752 1.00 23.23 O ATOM 974 CB VAL A 57 6.938 -13.259 -4.043 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.019 -14.482 -4.071 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.259 -12.048 -4.687 1.00 3.30 C ATOM 0 H VAL A 57 9.121 -12.223 -3.542 1.00 60.44 H new ATOM 0 HA VAL A 57 6.605 -12.320 -2.175 1.00 24.01 H new ATOM 0 HB VAL A 57 7.827 -13.495 -4.628 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.716 -14.686 -5.098 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.550 -15.346 -3.671 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.135 -14.287 -3.464 1.00 34.23 H new ATOM 0 HG21 VAL A 57 5.951 -12.301 -5.702 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.384 -11.767 -4.101 1.00 3.30 H new ATOM 0 HG23 VAL A 57 6.958 -11.212 -4.718 1.00 3.30 H new ATOM 986 N GLY A 58 8.449 -15.052 -2.137 1.00 11.12 N ATOM 987 CA GLY A 58 8.691 -16.281 -1.402 1.00 42.23 C ATOM 988 C GLY A 58 8.999 -15.989 0.069 1.00 73.23 C ATOM 989 O GLY A 58 8.925 -16.883 0.910 1.00 60.02 O ATOM 0 H GLY A 58 9.040 -14.923 -2.958 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.817 -16.929 -1.473 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.525 -16.820 -1.852 1.00 42.23 H new ATOM 993 N GLN A 59 9.336 -14.736 0.332 1.00 64.11 N ATOM 994 CA GLN A 59 9.653 -14.314 1.687 1.00 61.51 C ATOM 995 C GLN A 59 8.445 -13.627 2.327 1.00 64.21 C ATOM 996 O GLN A 59 8.272 -13.675 3.543 1.00 44.31 O ATOM 997 CB GLN A 59 10.878 -13.398 1.702 1.00 30.41 C ATOM 998 CG GLN A 59 12.173 -14.213 1.655 1.00 65.32 C ATOM 999 CD GLN A 59 13.364 -13.376 2.128 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.304 -12.672 3.123 1.00 74.53 O ATOM 1001 NE2 GLN A 59 14.445 -13.494 1.364 1.00 1.14 N ATOM 0 H GLN A 59 9.397 -13.998 -0.370 1.00 64.11 H new ATOM 0 HA GLN A 59 9.895 -15.199 2.275 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.840 -12.720 0.850 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.865 -12.781 2.601 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.073 -15.098 2.283 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.350 -14.563 0.638 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.427 -14.101 0.545 1.00 1.14 H new ATOM 0 HE22 GLN A 59 15.293 -12.977 1.597 1.00 1.14 H new ATOM 1010 N PHE A 60 7.641 -13.004 1.478 1.00 0.21 N ATOM 1011 CA PHE A 60 6.455 -12.307 1.946 1.00 52.15 C ATOM 1012 C PHE A 60 5.400 -13.297 2.447 1.00 43.15 C ATOM 1013 O PHE A 60 4.721 -13.036 3.439 1.00 50.40 O ATOM 1014 CB PHE A 60 5.888 -11.539 0.751 1.00 50.40 C ATOM 1015 CG PHE A 60 4.684 -10.658 1.092 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.686 -9.914 2.229 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.610 -10.622 0.257 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.569 -9.096 2.547 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.493 -9.804 0.575 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.495 -9.060 1.712 1.00 23.01 C ATOM 0 H PHE A 60 7.787 -12.967 0.469 1.00 0.21 H new ATOM 0 HA PHE A 60 6.714 -11.643 2.771 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.674 -10.914 0.328 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.597 -12.252 -0.021 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.538 -9.945 2.892 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.607 -11.214 -0.646 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.572 -8.504 3.450 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.641 -9.773 -0.088 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.644 -8.440 1.953 1.00 23.01 H new ATOM 1030 N VAL A 61 5.297 -14.411 1.739 1.00 32.35 N ATOM 1031 CA VAL A 61 4.337 -15.441 2.100 1.00 5.44 C ATOM 1032 C VAL A 61 4.589 -15.884 3.543 1.00 71.34 C ATOM 1033 O VAL A 61 3.648 -16.036 4.322 1.00 5.54 O ATOM 1034 CB VAL A 61 4.407 -16.597 1.099 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.450 -17.721 1.494 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.124 -16.107 -0.322 1.00 73.01 C ATOM 0 H VAL A 61 5.862 -14.624 0.917 1.00 32.35 H new ATOM 0 HA VAL A 61 3.321 -15.049 2.053 1.00 5.44 H new ATOM 0 HB VAL A 61 5.420 -16.999 1.119 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.519 -18.530 0.767 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.718 -18.097 2.481 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.429 -17.339 1.516 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.180 -16.947 -1.014 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.127 -15.668 -0.364 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.863 -15.356 -0.602 1.00 73.01 H new ATOM 1046 N TYR A 62 5.861 -16.078 3.856 1.00 14.20 N ATOM 1047 CA TYR A 62 6.249 -16.500 5.190 1.00 74.54 C ATOM 1048 C TYR A 62 5.546 -15.658 6.258 1.00 34.14 C ATOM 1049 O TYR A 62 5.344 -16.115 7.382 1.00 35.32 O ATOM 1050 CB TYR A 62 7.759 -16.266 5.285 1.00 44.14 C ATOM 1051 CG TYR A 62 8.205 -15.621 6.599 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.876 -16.207 7.803 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.939 -14.451 6.577 1.00 62.34 C ATOM 1054 CE1 TYR A 62 8.300 -15.599 9.038 1.00 24.10 C ATOM 1055 CE2 TYR A 62 9.362 -13.844 7.813 1.00 24.35 C ATOM 1056 CZ TYR A 62 9.020 -14.447 8.982 1.00 2.21 C ATOM 1057 OH TYR A 62 9.419 -13.873 10.150 1.00 63.13 O ATOM 0 H TYR A 62 6.638 -15.950 3.207 1.00 14.20 H new ATOM 0 HA TYR A 62 5.976 -17.542 5.357 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.273 -17.220 5.167 1.00 44.14 H new ATOM 0 HB3 TYR A 62 8.071 -15.631 4.456 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.301 -17.121 7.820 1.00 22.21 H new ATOM 0 HD2 TYR A 62 9.196 -13.992 5.634 1.00 62.34 H new ATOM 0 HE1 TYR A 62 8.051 -16.048 9.988 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.938 -12.930 7.811 1.00 24.35 H new ATOM 0 HH TYR A 62 9.926 -13.057 9.957 1.00 63.13 H new ATOM 1067 N VAL A 63 5.193 -14.442 5.868 1.00 52.24 N ATOM 1068 CA VAL A 63 4.517 -13.532 6.776 1.00 35.03 C ATOM 1069 C VAL A 63 3.020 -13.844 6.785 1.00 4.02 C ATOM 1070 O VAL A 63 2.395 -13.876 7.844 1.00 23.34 O ATOM 1071 CB VAL A 63 4.822 -12.083 6.388 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.980 -11.106 7.213 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.314 -11.779 6.533 1.00 44.31 C ATOM 0 H VAL A 63 5.363 -14.066 4.935 1.00 52.24 H new ATOM 0 HA VAL A 63 4.883 -13.667 7.794 1.00 35.03 H new ATOM 0 HB VAL A 63 4.555 -11.953 5.339 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.216 -10.084 6.918 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.922 -11.300 7.037 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.202 -11.238 8.272 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.503 -10.743 6.251 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.618 -11.935 7.568 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.885 -12.442 5.883 1.00 44.31 H new ATOM 1083 N ILE A 64 2.487 -14.070 5.593 1.00 25.51 N ATOM 1084 CA ILE A 64 1.076 -14.381 5.451 1.00 30.30 C ATOM 1085 C ILE A 64 0.776 -15.709 6.151 1.00 3.31 C ATOM 1086 O ILE A 64 -0.329 -15.916 6.650 1.00 53.34 O ATOM 1087 CB ILE A 64 0.667 -14.359 3.976 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.220 -13.117 3.275 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.850 -14.474 3.825 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.947 -11.854 4.096 1.00 35.01 C ATOM 0 H ILE A 64 3.008 -14.044 4.717 1.00 25.51 H new ATOM 0 HA ILE A 64 0.469 -13.618 5.939 1.00 30.30 H new ATOM 0 HB ILE A 64 1.105 -15.229 3.486 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.293 -13.230 3.121 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.765 -13.019 2.289 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.113 -14.456 2.767 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.190 -15.411 4.267 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.331 -13.638 4.333 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.351 -10.986 3.574 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.128 -11.731 4.227 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.424 -11.944 5.072 1.00 35.01 H new ATOM 1102 N ARG A 65 1.780 -16.573 6.165 1.00 63.25 N ATOM 1103 CA ARG A 65 1.638 -17.874 6.796 1.00 61.31 C ATOM 1104 C ARG A 65 1.824 -17.752 8.310 1.00 12.01 C ATOM 1105 O ARG A 65 1.683 -18.736 9.036 1.00 41.52 O ATOM 1106 CB ARG A 65 2.660 -18.868 6.242 1.00 31.34 C ATOM 1107 CG ARG A 65 2.195 -20.310 6.456 1.00 61.42 C ATOM 1108 CD ARG A 65 1.314 -20.779 5.295 1.00 12.15 C ATOM 1109 NE ARG A 65 2.121 -20.885 4.059 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.784 -22.000 3.681 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.740 -23.114 4.441 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.473 -21.982 2.556 1.00 34.13 N ATOM 0 H ARG A 65 2.695 -16.398 5.750 1.00 63.25 H new ATOM 0 HA ARG A 65 0.635 -18.242 6.578 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.811 -18.685 5.178 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.622 -18.716 6.731 1.00 31.34 H new ATOM 0 HG2 ARG A 65 3.061 -20.965 6.548 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.640 -20.382 7.391 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.869 -21.745 5.533 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.493 -20.078 5.144 1.00 12.15 H new ATOM 0 HE ARG A 65 2.180 -20.065 3.455 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.203 -23.119 5.308 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.243 -23.951 4.148 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.499 -21.136 1.987 1.00 34.13 H new ATOM 0 HH22 ARG A 65 3.980 -22.814 2.255 1.00 34.13 H new ATOM 1126 N LYS A 66 2.135 -16.539 8.742 1.00 55.44 N ATOM 1127 CA LYS A 66 2.341 -16.277 10.155 1.00 1.33 C ATOM 1128 C LYS A 66 1.015 -15.850 10.789 1.00 70.51 C ATOM 1129 O LYS A 66 0.593 -16.418 11.795 1.00 24.42 O ATOM 1130 CB LYS A 66 3.471 -15.266 10.354 1.00 12.24 C ATOM 1131 CG LYS A 66 4.740 -15.954 10.861 1.00 14.13 C ATOM 1132 CD LYS A 66 5.557 -15.013 11.750 1.00 31.51 C ATOM 1133 CE LYS A 66 6.552 -15.797 12.609 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.908 -16.258 13.859 1.00 62.23 N ATOM 0 H LYS A 66 2.249 -15.726 8.137 1.00 55.44 H new ATOM 0 HA LYS A 66 2.663 -17.184 10.667 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.680 -14.759 9.412 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.159 -14.502 11.065 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.473 -16.849 11.422 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.346 -16.277 10.014 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.093 -14.295 11.130 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.887 -14.441 12.393 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.928 -16.654 12.050 1.00 71.45 H new ATOM 0 HE3 LYS A 66 7.411 -15.169 12.846 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.597 -16.788 14.430 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.570 -15.436 14.399 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 5.103 -16.875 13.628 1.00 62.23 H new ATOM 1148 N ARG A 67 0.396 -14.855 10.174 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.873 -14.345 10.663 1.00 11.04 C ATOM 1150 C ARG A 67 -1.834 -15.501 10.949 1.00 10.11 C ATOM 1151 O ARG A 67 -2.135 -15.793 12.106 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.514 -13.395 9.651 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.069 -11.952 9.894 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.974 -11.264 10.919 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.476 -11.525 12.288 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.562 -10.759 12.920 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.036 -9.676 12.310 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.189 -11.086 14.144 1.00 2.44 N ATOM 0 H ARG A 67 0.750 -14.387 9.340 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.676 -13.795 11.583 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.242 -13.698 8.640 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.600 -13.461 9.722 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.038 -11.940 10.248 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.090 -11.398 8.955 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.000 -10.191 10.731 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.996 -11.630 10.819 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.847 -12.335 12.785 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.329 -9.431 11.364 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.654 -9.103 12.795 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.591 -11.907 14.597 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.501 -10.518 14.636 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.291 -16.128 9.875 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.212 -17.245 9.994 1.00 51.02 C ATOM 1174 C ILE A 68 -2.473 -18.447 10.584 1.00 1.12 C ATOM 1175 O ILE A 68 -3.091 -19.462 10.907 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.881 -17.534 8.650 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.853 -17.547 7.516 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.018 -16.546 8.379 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.337 -18.407 6.346 1.00 64.50 C ATOM 0 H ILE A 68 -2.040 -15.883 8.917 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.023 -16.999 10.680 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.322 -18.530 8.697 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.672 -16.528 7.173 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.903 -17.932 7.886 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.477 -16.774 7.417 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.767 -16.628 9.167 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.621 -15.531 8.360 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.588 -18.399 5.554 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.494 -19.430 6.687 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.275 -18.005 5.962 1.00 64.50 H new ATOM 1191 N MET A 69 -1.164 -18.296 10.707 1.00 12.12 N ATOM 1192 CA MET A 69 -0.334 -19.357 11.253 1.00 64.34 C ATOM 1193 C MET A 69 -0.738 -20.718 10.680 1.00 52.33 C ATOM 1194 O MET A 69 -0.775 -21.713 11.402 1.00 32.01 O ATOM 1195 CB MET A 69 -0.473 -19.383 12.776 1.00 12.53 C ATOM 1196 CG MET A 69 -1.898 -19.757 13.190 1.00 10.21 C ATOM 1197 SD MET A 69 -1.944 -20.152 14.930 1.00 12.40 S ATOM 1198 CE MET A 69 -3.197 -19.005 15.476 1.00 45.12 C ATOM 0 H MET A 69 -0.656 -17.454 10.438 1.00 12.12 H new ATOM 0 HA MET A 69 0.702 -19.160 10.978 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.232 -20.100 13.197 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.216 -18.406 13.185 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.576 -18.930 12.978 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.243 -20.610 12.606 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.352 -19.119 16.549 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.875 -17.986 15.262 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.130 -19.209 14.951 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.031 -20.716 9.388 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.431 -21.939 8.710 1.00 10.14 C ATOM 1210 C LEU A 70 -0.412 -23.039 9.011 1.00 2.25 C ATOM 1211 O LEU A 70 0.789 -22.783 9.057 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.635 -21.680 7.217 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.852 -22.353 6.579 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -4.096 -22.173 7.451 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.074 -21.847 5.152 1.00 2.24 C ATOM 0 H LEU A 70 -1.000 -19.888 8.793 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.394 -22.286 9.084 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.718 -20.604 7.063 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.742 -22.010 6.686 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.656 -23.423 6.513 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.947 -22.660 6.976 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.922 -22.620 8.430 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.306 -21.110 7.570 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.945 -22.341 4.722 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.240 -20.770 5.170 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.195 -22.069 4.546 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.945 -24.276 9.214 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.095 -25.417 9.509 1.00 13.55 C ATOM 1229 C PRO A 71 0.632 -25.898 8.252 1.00 75.31 C ATOM 1230 O PRO A 71 0.340 -25.442 7.148 1.00 21.12 O ATOM 1231 CB PRO A 71 -1.031 -26.463 10.092 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.433 -26.048 9.673 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.364 -24.615 9.167 1.00 33.31 C ATOM 0 HA PRO A 71 0.702 -25.178 10.213 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.789 -27.457 9.716 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.944 -26.503 11.178 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.810 -26.710 8.894 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.121 -26.123 10.515 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.758 -24.533 8.154 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.953 -23.945 9.793 1.00 33.31 H new ATOM 1241 N PRO A 72 1.590 -26.839 8.468 1.00 11.43 N ATOM 1242 CA PRO A 72 2.362 -27.387 7.366 1.00 73.31 C ATOM 1243 C PRO A 72 1.525 -28.376 6.550 1.00 14.34 C ATOM 1244 O PRO A 72 2.012 -28.949 5.576 1.00 14.13 O ATOM 1245 CB PRO A 72 3.574 -28.031 8.016 1.00 1.11 C ATOM 1246 CG PRO A 72 3.209 -28.226 9.479 1.00 12.50 C ATOM 1247 CD PRO A 72 1.963 -27.402 9.762 1.00 2.00 C ATOM 0 HA PRO A 72 2.669 -26.626 6.648 1.00 73.31 H new ATOM 0 HB2 PRO A 72 3.811 -28.984 7.542 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.455 -27.397 7.914 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.026 -29.280 9.690 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.030 -27.910 10.123 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.164 -28.020 10.170 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.164 -26.618 10.492 1.00 2.00 H new ATOM 1255 N GLU A 73 0.283 -28.546 6.978 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.625 -29.455 6.300 1.00 33.04 C ATOM 1257 C GLU A 73 -1.478 -28.693 5.283 1.00 15.04 C ATOM 1258 O GLU A 73 -2.414 -29.249 4.713 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.506 -30.201 7.304 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.536 -29.262 7.932 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.603 -30.051 8.694 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.663 -29.981 9.931 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -4.391 -30.756 7.955 1.00 11.00 O ATOM 0 H GLU A 73 -0.116 -28.069 7.787 1.00 4.32 H new ATOM 0 HA GLU A 73 -0.032 -30.197 5.765 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -2.016 -31.024 6.804 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.884 -30.639 8.085 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -2.037 -28.570 8.610 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -3.008 -28.662 7.154 1.00 33.54 H new ATOM 1271 N LYS A 74 -1.122 -27.431 5.087 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.843 -26.588 4.150 1.00 74.24 C ATOM 1273 C LYS A 74 -0.844 -25.894 3.222 1.00 4.24 C ATOM 1274 O LYS A 74 0.362 -26.106 3.334 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.763 -25.621 4.897 1.00 43.43 C ATOM 1276 CG LYS A 74 -4.076 -26.303 5.286 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.276 -25.556 4.699 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.843 -26.297 3.486 1.00 43.12 C ATOM 1279 NZ LYS A 74 -7.263 -25.937 3.277 1.00 72.20 N ATOM 0 H LYS A 74 -0.344 -26.973 5.561 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.497 -27.191 3.521 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.261 -25.254 5.792 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.971 -24.754 4.270 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -4.074 -27.333 4.930 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.162 -26.341 6.372 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -6.050 -25.450 5.459 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.975 -24.550 4.407 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.264 -26.048 2.597 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.752 -27.373 3.635 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.633 -26.448 2.450 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -7.815 -26.197 4.120 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.341 -24.913 3.114 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.383 -25.079 2.327 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.553 -24.352 1.381 1.00 13.52 C ATOM 1295 C ALA A 75 -1.101 -22.934 1.213 1.00 54.01 C ATOM 1296 O ALA A 75 -2.245 -22.659 1.574 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.499 -25.117 0.057 1.00 3.35 C ATOM 0 H ALA A 75 -2.384 -24.906 2.237 1.00 2.43 H new ATOM 0 HA ALA A 75 0.469 -24.269 1.752 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.123 -24.572 -0.653 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.075 -26.107 0.226 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.507 -25.218 -0.346 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.260 -22.069 0.666 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.646 -20.685 0.446 1.00 65.33 C ATOM 1305 C ILE A 76 0.111 -20.136 -0.764 1.00 4.31 C ATOM 1306 O ILE A 76 1.308 -20.379 -0.916 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.446 -19.865 1.722 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.600 -18.879 1.925 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.912 -19.163 1.714 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.436 -18.109 3.237 1.00 43.42 C ATOM 0 H ILE A 76 0.688 -22.300 0.368 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.709 -20.617 0.214 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.451 -20.547 2.572 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.637 -18.179 1.090 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.547 -19.418 1.931 1.00 33.21 H new ATOM 0 HG21 ILE A 76 1.029 -18.587 2.632 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.706 -19.907 1.649 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.971 -18.494 0.856 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.268 -17.415 3.358 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.424 -18.810 4.071 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.499 -17.552 3.217 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.617 -19.404 -1.596 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.028 -18.818 -2.788 1.00 62.30 C ATOM 1324 C PHE A 77 -0.499 -17.374 -2.978 1.00 33.33 C ATOM 1325 O PHE A 77 -1.670 -17.066 -2.761 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.498 -19.656 -3.978 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.101 -21.133 -3.895 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.879 -22.008 -3.204 1.00 4.54 C ATOM 1329 CD2 PHE A 77 1.030 -21.567 -4.512 1.00 44.34 C ATOM 1330 CE1 PHE A 77 -0.511 -23.377 -3.128 1.00 1.33 C ATOM 1331 CE2 PHE A 77 1.398 -22.937 -4.436 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.619 -23.813 -3.745 1.00 35.23 C ATOM 0 H PHE A 77 -1.609 -19.204 -1.468 1.00 12.42 H new ATOM 0 HA PHE A 77 1.058 -18.810 -2.701 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.583 -19.586 -4.053 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.087 -19.231 -4.894 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.777 -21.662 -2.713 1.00 4.54 H new ATOM 0 HD2 PHE A 77 1.648 -20.871 -5.059 1.00 44.34 H new ATOM 0 HE1 PHE A 77 -1.129 -24.072 -2.580 1.00 1.33 H new ATOM 0 HE2 PHE A 77 2.296 -23.283 -4.926 1.00 41.05 H new ATOM 0 HZ PHE A 77 0.899 -24.855 -3.687 1.00 35.23 H new ATOM 1342 N ILE A 78 0.438 -16.528 -3.383 1.00 3.55 N ATOM 1343 CA ILE A 78 0.133 -15.126 -3.604 1.00 70.04 C ATOM 1344 C ILE A 78 -0.434 -14.948 -5.015 1.00 63.43 C ATOM 1345 O ILE A 78 -0.164 -15.757 -5.902 1.00 62.34 O ATOM 1346 CB ILE A 78 1.363 -14.260 -3.322 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.929 -14.548 -1.930 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.044 -12.775 -3.514 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.161 -13.777 -0.855 1.00 44.32 C ATOM 0 H ILE A 78 1.408 -16.788 -3.563 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.634 -14.788 -2.907 1.00 70.04 H new ATOM 0 HB ILE A 78 2.136 -14.520 -4.045 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.874 -15.617 -1.725 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.983 -14.272 -1.898 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.935 -12.182 -3.307 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.723 -12.602 -4.541 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.247 -12.483 -2.830 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.584 -14.000 0.125 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.239 -12.707 -1.049 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.112 -14.074 -0.874 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.206 -13.886 -5.177 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.813 -13.590 -6.465 1.00 2.04 C ATOM 1363 C PHE A 79 -1.906 -12.081 -6.695 1.00 53.42 C ATOM 1364 O PHE A 79 -2.419 -11.351 -5.849 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.225 -14.179 -6.438 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.322 -15.592 -7.017 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.218 -15.787 -8.358 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.513 -16.654 -6.188 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.308 -17.097 -8.895 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.604 -17.966 -6.725 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.498 -18.160 -8.068 1.00 62.01 C ATOM 0 H PHE A 79 -1.426 -13.218 -4.438 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.210 -14.014 -7.267 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.581 -14.194 -5.408 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.892 -13.522 -6.996 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.067 -14.944 -9.016 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.595 -16.500 -5.122 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -3.226 -17.250 -9.961 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.757 -18.809 -6.068 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.565 -19.157 -8.477 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.403 -11.658 -7.846 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.423 -10.250 -8.199 1.00 62.12 C ATOM 1383 C VAL A 80 -1.956 -10.091 -9.623 1.00 53.14 C ATOM 1384 O VAL A 80 -1.254 -10.386 -10.589 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.030 -9.643 -8.011 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.109 -8.123 -7.863 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.687 -10.275 -6.816 1.00 72.24 C ATOM 0 H VAL A 80 -0.979 -12.267 -8.546 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.095 -9.702 -7.538 1.00 62.12 H new ATOM 0 HB VAL A 80 0.554 -9.862 -8.905 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.894 -7.718 -7.731 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.559 -7.693 -8.758 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.719 -7.873 -6.995 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.674 -9.826 -6.705 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.106 -10.103 -5.910 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.793 -11.347 -6.981 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.195 -9.628 -9.709 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.831 -9.428 -11.000 1.00 42.34 C ATOM 1399 C ASN A 81 -4.173 -10.788 -11.611 1.00 23.52 C ATOM 1400 O ASN A 81 -4.297 -10.912 -12.829 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.898 -8.698 -11.967 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.079 -7.629 -11.237 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.576 -6.586 -10.849 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.799 -7.950 -11.072 1.00 23.44 N ATOM 0 H ASN A 81 -3.775 -9.386 -8.906 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.729 -8.830 -10.844 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.227 -9.414 -12.441 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.482 -8.234 -12.762 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.169 -7.305 -10.595 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.448 -8.841 -11.422 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.317 -11.774 -10.738 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.642 -13.120 -11.176 1.00 23.32 C ATOM 1413 C ASP A 82 -3.377 -13.801 -11.703 1.00 11.03 C ATOM 1414 O ASP A 82 -3.456 -14.799 -12.418 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.672 -13.097 -12.308 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.798 -12.077 -12.137 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.724 -12.274 -11.336 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -6.699 -11.025 -12.878 1.00 63.05 O ATOM 0 H ASP A 82 -4.214 -11.667 -9.729 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.053 -13.661 -10.324 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.155 -12.891 -13.245 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.112 -14.090 -12.398 1.00 70.50 H new ATOM 1424 N THR A 83 -2.240 -13.235 -11.326 1.00 42.44 N ATOM 1425 CA THR A 83 -0.959 -13.774 -11.751 1.00 61.11 C ATOM 1426 C THR A 83 -0.120 -14.176 -10.537 1.00 21.15 C ATOM 1427 O THR A 83 -0.151 -13.504 -9.506 1.00 74.25 O ATOM 1428 CB THR A 83 -0.279 -12.733 -12.642 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.529 -13.506 -13.525 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.725 -11.871 -11.874 1.00 30.14 C ATOM 0 H THR A 83 -2.179 -12.409 -10.731 1.00 42.44 H new ATOM 0 HA THR A 83 -1.088 -14.686 -12.334 1.00 61.11 H new ATOM 0 HB THR A 83 -1.036 -12.092 -13.094 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.005 -12.909 -14.140 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.179 -11.149 -12.553 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.211 -11.342 -11.072 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.501 -12.508 -11.450 1.00 30.14 H new ATOM 1438 N LEU A 84 0.610 -15.270 -10.697 1.00 12.33 N ATOM 1439 CA LEU A 84 1.455 -15.769 -9.627 1.00 64.22 C ATOM 1440 C LEU A 84 2.904 -15.354 -9.891 1.00 22.45 C ATOM 1441 O LEU A 84 3.549 -15.882 -10.796 1.00 1.12 O ATOM 1442 CB LEU A 84 1.268 -17.278 -9.455 1.00 62.51 C ATOM 1443 CG LEU A 84 1.023 -17.766 -8.026 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.471 -17.970 -7.765 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.834 -19.029 -7.730 1.00 5.15 C ATOM 0 H LEU A 84 0.633 -15.825 -11.553 1.00 12.33 H new ATOM 0 HA LEU A 84 1.165 -15.325 -8.675 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.428 -17.593 -10.074 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.155 -17.780 -9.842 1.00 62.51 H new ATOM 0 HG LEU A 84 1.368 -16.994 -7.338 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.618 -18.317 -6.742 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.997 -17.026 -7.907 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.864 -18.712 -8.460 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.641 -19.354 -6.708 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.543 -19.819 -8.423 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.896 -18.815 -7.848 1.00 5.15 H new ATOM 1457 N PRO A 85 3.386 -14.389 -9.064 1.00 73.14 N ATOM 1458 CA PRO A 85 4.746 -13.897 -9.201 1.00 54.01 C ATOM 1459 C PRO A 85 5.753 -14.913 -8.656 1.00 31.32 C ATOM 1460 O PRO A 85 5.387 -15.813 -7.903 1.00 23.50 O ATOM 1461 CB PRO A 85 4.766 -12.578 -8.445 1.00 13.52 C ATOM 1462 CG PRO A 85 3.554 -12.605 -7.528 1.00 42.32 C ATOM 1463 CD PRO A 85 2.650 -13.739 -7.983 1.00 13.01 C ATOM 0 HA PRO A 85 5.037 -13.749 -10.241 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.687 -12.470 -7.872 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.717 -11.733 -9.132 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.862 -12.754 -6.493 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.023 -11.654 -7.569 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.446 -14.434 -7.169 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.687 -13.363 -8.329 1.00 13.01 H new ATOM 1471 N PRO A 86 7.036 -14.729 -9.070 1.00 12.01 N ATOM 1472 CA PRO A 86 8.098 -15.617 -8.632 1.00 0.14 C ATOM 1473 C PRO A 86 8.488 -15.331 -7.180 1.00 13.22 C ATOM 1474 O PRO A 86 7.747 -14.671 -6.453 1.00 70.44 O ATOM 1475 CB PRO A 86 9.237 -15.381 -9.610 1.00 21.33 C ATOM 1476 CG PRO A 86 8.947 -14.043 -10.272 1.00 1.45 C ATOM 1477 CD PRO A 86 7.506 -13.672 -9.961 1.00 12.41 C ATOM 0 HA PRO A 86 7.798 -16.665 -8.636 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.197 -15.362 -9.094 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.289 -16.180 -10.350 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.627 -13.277 -9.899 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.100 -14.109 -11.349 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.443 -12.694 -9.483 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.905 -13.623 -10.869 1.00 12.41 H new ATOM 1485 N THR A 87 9.650 -15.844 -6.801 1.00 44.33 N ATOM 1486 CA THR A 87 10.147 -15.653 -5.450 1.00 62.41 C ATOM 1487 C THR A 87 11.127 -14.479 -5.403 1.00 30.31 C ATOM 1488 O THR A 87 11.220 -13.784 -4.393 1.00 14.22 O ATOM 1489 CB THR A 87 10.758 -16.974 -4.979 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.067 -16.970 -5.543 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.083 -18.191 -5.615 1.00 50.43 C ATOM 0 H THR A 87 10.261 -16.392 -7.407 1.00 44.33 H new ATOM 0 HA THR A 87 9.340 -15.390 -4.766 1.00 62.41 H new ATOM 0 HB THR A 87 10.683 -17.043 -3.894 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.536 -17.791 -5.286 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.554 -19.102 -5.247 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.025 -18.199 -5.353 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.188 -18.140 -6.699 1.00 50.43 H new ATOM 1499 N ALA A 88 11.835 -14.296 -6.509 1.00 71.44 N ATOM 1500 CA ALA A 88 12.803 -13.218 -6.607 1.00 13.45 C ATOM 1501 C ALA A 88 12.095 -11.940 -7.059 1.00 44.20 C ATOM 1502 O ALA A 88 12.746 -10.951 -7.393 1.00 63.25 O ATOM 1503 CB ALA A 88 13.929 -13.630 -7.559 1.00 64.41 C ATOM 0 H ALA A 88 11.757 -14.876 -7.344 1.00 71.44 H new ATOM 0 HA ALA A 88 13.254 -13.017 -5.635 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.656 -12.822 -7.634 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.419 -14.525 -7.177 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.514 -13.837 -8.545 1.00 64.41 H new ATOM 1509 N ALA A 89 10.771 -12.002 -7.056 1.00 34.45 N ATOM 1510 CA ALA A 89 9.967 -10.861 -7.462 1.00 73.43 C ATOM 1511 C ALA A 89 9.963 -9.822 -6.339 1.00 42.11 C ATOM 1512 O ALA A 89 8.909 -9.486 -5.803 1.00 30.52 O ATOM 1513 CB ALA A 89 8.558 -11.334 -7.824 1.00 61.45 C ATOM 0 H ALA A 89 10.235 -12.824 -6.779 1.00 34.45 H new ATOM 0 HA ALA A 89 10.390 -10.388 -8.348 1.00 73.43 H new ATOM 0 HB1 ALA A 89 7.954 -10.479 -8.129 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.614 -12.049 -8.644 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.100 -11.811 -6.957 1.00 61.45 H new ATOM 1519 N LEU A 90 11.155 -9.340 -6.019 1.00 64.42 N ATOM 1520 CA LEU A 90 11.302 -8.343 -4.971 1.00 63.51 C ATOM 1521 C LEU A 90 10.055 -7.460 -4.935 1.00 52.21 C ATOM 1522 O LEU A 90 9.752 -6.765 -5.904 1.00 54.01 O ATOM 1523 CB LEU A 90 12.604 -7.562 -5.154 1.00 34.25 C ATOM 1524 CG LEU A 90 13.632 -7.697 -4.029 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.701 -9.138 -3.521 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.002 -7.180 -4.473 1.00 41.31 C ATOM 0 H LEU A 90 12.028 -9.621 -6.466 1.00 64.42 H new ATOM 0 HA LEU A 90 11.380 -8.824 -3.996 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.070 -7.884 -6.085 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.358 -6.506 -5.269 1.00 34.25 H new ATOM 0 HG LEU A 90 13.309 -7.076 -3.194 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.439 -9.207 -2.722 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.724 -9.437 -3.140 1.00 54.54 H new ATOM 0 HD13 LEU A 90 13.989 -9.799 -4.339 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.714 -7.287 -3.655 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.347 -7.755 -5.332 1.00 41.31 H new ATOM 0 HD23 LEU A 90 14.922 -6.128 -4.749 1.00 41.31 H new ATOM 1538 N MET A 91 9.362 -7.514 -3.806 1.00 32.43 N ATOM 1539 CA MET A 91 8.153 -6.728 -3.631 1.00 22.31 C ATOM 1540 C MET A 91 8.280 -5.367 -4.318 1.00 44.01 C ATOM 1541 O MET A 91 7.292 -4.817 -4.801 1.00 41.02 O ATOM 1542 CB MET A 91 7.890 -6.523 -2.138 1.00 61.30 C ATOM 1543 CG MET A 91 7.992 -7.846 -1.376 1.00 10.20 C ATOM 1544 SD MET A 91 6.968 -9.081 -2.158 1.00 71.21 S ATOM 1545 CE MET A 91 5.410 -8.210 -2.201 1.00 3.14 C ATOM 0 H MET A 91 9.616 -8.090 -3.004 1.00 32.43 H new ATOM 0 HA MET A 91 7.322 -7.267 -4.085 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.608 -5.810 -1.733 1.00 61.30 H new ATOM 0 HB3 MET A 91 6.899 -6.093 -1.996 1.00 61.30 H new ATOM 0 HG2 MET A 91 9.028 -8.183 -1.353 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.679 -7.704 -0.341 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.609 -8.909 -2.443 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.217 -7.761 -1.227 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.451 -7.428 -2.959 1.00 3.14 H new ATOM 1555 N SER A 92 9.505 -4.863 -4.341 1.00 61.22 N ATOM 1556 CA SER A 92 9.774 -3.577 -4.962 1.00 10.22 C ATOM 1557 C SER A 92 9.450 -3.639 -6.457 1.00 3.55 C ATOM 1558 O SER A 92 8.672 -2.831 -6.960 1.00 30.35 O ATOM 1559 CB SER A 92 11.231 -3.158 -4.752 1.00 12.35 C ATOM 1560 OG SER A 92 12.134 -4.237 -4.973 1.00 55.11 O ATOM 0 H SER A 92 10.323 -5.322 -3.940 1.00 61.22 H new ATOM 0 HA SER A 92 9.137 -2.829 -4.489 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.473 -2.338 -5.428 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.357 -2.782 -3.737 1.00 12.35 H new ATOM 0 HG SER A 92 13.053 -3.929 -4.831 1.00 55.11 H new ATOM 1566 N ALA A 93 10.065 -4.605 -7.122 1.00 51.43 N ATOM 1567 CA ALA A 93 9.852 -4.783 -8.549 1.00 44.32 C ATOM 1568 C ALA A 93 8.402 -5.207 -8.795 1.00 70.44 C ATOM 1569 O ALA A 93 7.940 -5.221 -9.935 1.00 35.31 O ATOM 1570 CB ALA A 93 10.856 -5.802 -9.092 1.00 51.33 C ATOM 0 H ALA A 93 10.711 -5.273 -6.700 1.00 51.43 H new ATOM 0 HA ALA A 93 10.017 -3.846 -9.081 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.696 -5.936 -10.162 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.870 -5.442 -8.919 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.718 -6.756 -8.583 1.00 51.33 H new ATOM 1576 N ILE A 94 7.724 -5.543 -7.705 1.00 40.34 N ATOM 1577 CA ILE A 94 6.337 -5.965 -7.789 1.00 0.42 C ATOM 1578 C ILE A 94 5.426 -4.744 -7.638 1.00 61.53 C ATOM 1579 O ILE A 94 4.407 -4.639 -8.320 1.00 44.40 O ATOM 1580 CB ILE A 94 6.052 -7.073 -6.773 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.916 -8.306 -7.050 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.561 -7.414 -6.737 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.493 -8.991 -8.350 1.00 10.40 C ATOM 0 H ILE A 94 8.110 -5.531 -6.761 1.00 40.34 H new ATOM 0 HA ILE A 94 6.130 -6.399 -8.767 1.00 0.42 H new ATOM 0 HB ILE A 94 6.322 -6.706 -5.783 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.964 -8.013 -7.113 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.831 -9.008 -6.220 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.386 -8.204 -6.007 1.00 24.34 H new ATOM 0 HG22 ILE A 94 3.992 -6.528 -6.456 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.241 -7.753 -7.722 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.123 -9.864 -8.523 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.452 -9.304 -8.274 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.603 -8.294 -9.181 1.00 10.40 H new ATOM 1595 N TYR A 95 5.828 -3.854 -6.744 1.00 51.15 N ATOM 1596 CA TYR A 95 5.061 -2.644 -6.496 1.00 20.24 C ATOM 1597 C TYR A 95 5.337 -1.590 -7.569 1.00 42.21 C ATOM 1598 O TYR A 95 4.697 -0.539 -7.591 1.00 45.41 O ATOM 1599 CB TYR A 95 5.537 -2.114 -5.141 1.00 42.53 C ATOM 1600 CG TYR A 95 4.915 -0.773 -4.745 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.323 0.388 -5.369 1.00 32.12 C ATOM 1602 CD2 TYR A 95 3.945 -0.725 -3.764 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.737 1.650 -4.996 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.360 0.536 -3.390 1.00 23.54 C ATOM 1605 CZ TYR A 95 3.786 1.662 -4.024 1.00 24.44 C ATOM 1606 OH TYR A 95 3.233 2.854 -3.673 1.00 51.50 O ATOM 0 H TYR A 95 6.674 -3.946 -6.182 1.00 51.15 H new ATOM 0 HA TYR A 95 3.992 -2.857 -6.510 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.306 -2.851 -4.372 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.622 -2.007 -5.165 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.082 0.351 -6.137 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.625 -1.634 -3.277 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.046 2.566 -5.477 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.601 0.587 -2.624 1.00 23.54 H new ATOM 0 HH TYR A 95 3.233 3.455 -4.447 1.00 51.50 H new ATOM 1616 N GLN A 96 6.290 -1.907 -8.433 1.00 41.34 N ATOM 1617 CA GLN A 96 6.659 -1.000 -9.506 1.00 40.14 C ATOM 1618 C GLN A 96 6.008 -1.437 -10.819 1.00 73.33 C ATOM 1619 O GLN A 96 6.034 -0.702 -11.805 1.00 35.05 O ATOM 1620 CB GLN A 96 8.179 -0.912 -9.652 1.00 62.44 C ATOM 1621 CG GLN A 96 8.570 -0.457 -11.059 1.00 73.05 C ATOM 1622 CD GLN A 96 8.040 0.949 -11.348 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.386 1.200 -12.347 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.356 1.849 -10.421 1.00 34.13 N ATOM 0 H GLN A 96 6.818 -2.780 -8.412 1.00 41.34 H new ATOM 0 HA GLN A 96 6.292 -0.005 -9.255 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.579 -0.214 -8.916 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.625 -1.885 -9.444 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.655 -0.468 -11.160 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.174 -1.157 -11.795 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.907 1.572 -9.608 1.00 34.13 H new ATOM 0 HE22 GLN A 96 8.048 2.816 -10.523 1.00 34.13 H new ATOM 1633 N GLU A 97 5.438 -2.634 -10.790 1.00 32.44 N ATOM 1634 CA GLU A 97 4.780 -3.179 -11.965 1.00 2.21 C ATOM 1635 C GLU A 97 3.305 -3.460 -11.666 1.00 41.50 C ATOM 1636 O GLU A 97 2.536 -3.781 -12.570 1.00 31.31 O ATOM 1637 CB GLU A 97 5.491 -4.441 -12.456 1.00 65.22 C ATOM 1638 CG GLU A 97 4.940 -5.687 -11.757 1.00 55.53 C ATOM 1639 CD GLU A 97 5.780 -6.920 -12.092 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.223 -7.994 -12.363 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.057 -6.735 -12.067 1.00 70.13 O ATOM 0 H GLU A 97 5.419 -3.241 -9.971 1.00 32.44 H new ATOM 0 HA GLU A 97 4.833 -2.439 -12.763 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.364 -4.538 -13.534 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.561 -4.357 -12.267 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.932 -5.530 -10.678 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.907 -5.853 -12.062 1.00 55.53 H new ATOM 1649 N HIS A 98 2.957 -3.328 -10.395 1.00 3.52 N ATOM 1650 CA HIS A 98 1.589 -3.563 -9.966 1.00 21.22 C ATOM 1651 C HIS A 98 1.076 -2.346 -9.194 1.00 61.24 C ATOM 1652 O HIS A 98 0.070 -2.432 -8.492 1.00 1.42 O ATOM 1653 CB HIS A 98 1.488 -4.861 -9.161 1.00 32.21 C ATOM 1654 CG HIS A 98 1.805 -6.105 -9.958 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.418 -6.269 -11.277 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.476 -7.240 -9.609 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.843 -7.453 -11.692 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.497 -8.054 -10.658 1.00 24.24 N ATOM 0 H HIS A 98 3.599 -3.061 -9.648 1.00 3.52 H new ATOM 0 HA HIS A 98 0.948 -3.693 -10.838 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.168 -4.803 -8.311 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.480 -4.948 -8.757 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.916 -7.442 -8.643 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.697 -7.870 -12.678 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.931 -8.977 -10.685 1.00 24.24 H new ATOM 1667 N LYS A 99 1.791 -1.242 -9.352 1.00 12.51 N ATOM 1668 CA LYS A 99 1.421 -0.009 -8.679 1.00 13.43 C ATOM 1669 C LYS A 99 0.001 0.385 -9.090 1.00 32.40 C ATOM 1670 O LYS A 99 -0.456 0.030 -10.177 1.00 3.15 O ATOM 1671 CB LYS A 99 2.463 1.079 -8.944 1.00 4.34 C ATOM 1672 CG LYS A 99 2.641 1.312 -10.446 1.00 4.14 C ATOM 1673 CD LYS A 99 2.020 2.644 -10.873 1.00 12.25 C ATOM 1674 CE LYS A 99 1.816 2.692 -12.388 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.574 3.423 -12.721 1.00 53.51 N ATOM 0 H LYS A 99 2.625 -1.176 -9.936 1.00 12.51 H new ATOM 0 HA LYS A 99 1.412 -0.152 -7.598 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.156 2.007 -8.462 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.416 0.790 -8.501 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.702 1.305 -10.695 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.178 0.496 -11.001 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.063 2.782 -10.369 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.665 3.466 -10.563 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.669 3.179 -12.860 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.766 1.679 -12.786 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.451 3.446 -13.753 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.239 2.942 -12.286 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.636 4.396 -12.358 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.658 1.114 -8.202 1.00 41.20 N ATOM 1690 CA ASP A 100 -2.017 1.560 -8.459 1.00 31.41 C ATOM 1691 C ASP A 100 -2.062 3.088 -8.428 1.00 24.34 C ATOM 1692 O ASP A 100 -1.053 3.737 -8.158 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.980 1.038 -7.390 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.415 0.809 -7.869 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.381 1.055 -7.130 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.523 0.354 -9.071 1.00 2.43 O ATOM 0 H ASP A 100 -0.276 1.407 -7.303 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.318 1.177 -9.434 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.590 0.099 -6.998 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -2.998 1.746 -6.562 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.242 3.621 -8.711 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.432 5.060 -8.719 1.00 45.13 C ATOM 1704 C LYS A 101 -3.154 5.616 -7.321 1.00 14.41 C ATOM 1705 O LYS A 101 -2.754 6.770 -7.176 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.819 5.416 -9.256 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.931 5.086 -10.747 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.846 6.083 -11.462 1.00 13.14 C ATOM 1709 CE LYS A 101 -5.130 7.416 -11.691 1.00 51.00 C ATOM 1710 NZ LYS A 101 -5.969 8.322 -12.507 1.00 33.55 N ATOM 0 H LYS A 101 -4.077 3.080 -8.937 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.722 5.532 -9.398 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.580 4.868 -8.700 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -5.012 6.477 -9.099 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.941 5.104 -11.203 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.321 4.076 -10.871 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -6.165 5.668 -12.418 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.746 6.246 -10.869 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -4.905 7.884 -10.733 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -4.178 7.243 -12.192 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.468 9.222 -12.653 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -6.162 7.880 -13.428 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -6.867 8.502 -12.014 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.375 4.768 -6.328 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.153 5.159 -4.947 1.00 44.11 C ATOM 1726 C ASP A 102 -1.708 4.843 -4.556 1.00 52.35 C ATOM 1727 O ASP A 102 -1.220 5.314 -3.530 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.078 4.389 -4.000 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.302 2.921 -4.369 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.415 2.518 -4.738 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.260 2.167 -4.262 1.00 40.41 O ATOM 0 H ASP A 102 -3.706 3.811 -6.452 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.358 6.226 -4.863 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.663 4.436 -2.993 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.044 4.892 -3.971 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.064 4.045 -5.396 1.00 12.34 N ATOM 1738 CA GLY A 103 0.315 3.659 -5.152 1.00 1.51 C ATOM 1739 C GLY A 103 0.389 2.360 -4.348 1.00 42.14 C ATOM 1740 O GLY A 103 1.249 1.518 -4.599 1.00 30.21 O ATOM 0 H GLY A 103 -1.472 3.656 -6.246 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.834 3.532 -6.102 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.828 4.454 -4.612 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.527 2.236 -3.399 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.578 1.054 -2.556 1.00 12.24 C ATOM 1746 C PHE A 104 -0.747 -0.212 -3.398 1.00 72.13 C ATOM 1747 O PHE A 104 -1.562 -0.245 -4.320 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.794 1.209 -1.640 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.491 1.922 -0.321 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.666 1.343 0.593 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -2.047 3.136 -0.061 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.386 2.006 1.818 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -1.767 3.798 1.164 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.942 3.219 2.077 1.00 62.30 C ATOM 0 H PHE A 104 -1.241 2.936 -3.195 1.00 53.45 H new ATOM 0 HA PHE A 104 0.348 0.961 -1.989 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.568 1.763 -2.171 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.201 0.221 -1.422 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.224 0.379 0.387 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -2.701 3.597 -0.786 1.00 73.23 H new ATOM 0 HE1 PHE A 104 0.269 1.546 2.543 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -2.209 4.761 1.370 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.729 3.723 3.008 1.00 62.30 H new ATOM 1764 N LEU A 105 0.035 -1.224 -3.052 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.018 -2.489 -3.764 1.00 0.04 C ATOM 1766 C LEU A 105 -1.183 -3.323 -3.229 1.00 11.52 C ATOM 1767 O LEU A 105 -1.499 -3.264 -2.041 1.00 74.42 O ATOM 1768 CB LEU A 105 1.333 -3.202 -3.691 1.00 42.33 C ATOM 1769 CG LEU A 105 2.198 -3.133 -4.952 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.952 -4.346 -5.852 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.978 -1.814 -5.695 1.00 71.12 C ATOM 0 H LEU A 105 0.709 -1.193 -2.287 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.207 -2.321 -4.824 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.900 -2.779 -2.862 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.155 -4.251 -3.453 1.00 42.33 H new ATOM 0 HG LEU A 105 3.245 -3.162 -4.651 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.579 -4.273 -6.741 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.198 -5.258 -5.309 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.903 -4.372 -6.148 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.604 -1.790 -6.587 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.931 -1.730 -5.985 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.242 -0.981 -5.044 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.791 -4.081 -4.130 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.914 -4.925 -3.762 1.00 42.31 C ATOM 1785 C TYR A 106 -2.622 -6.394 -4.077 1.00 52.24 C ATOM 1786 O TYR A 106 -2.874 -6.856 -5.189 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.092 -4.457 -4.619 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.673 -3.108 -4.193 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.519 -3.032 -3.106 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -4.351 -1.964 -4.897 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -6.067 -1.762 -2.705 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -4.898 -0.693 -4.497 1.00 3.33 C ATOM 1793 CZ TYR A 106 -5.729 -0.655 -3.421 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.246 0.544 -3.041 1.00 44.34 O ATOM 0 H TYR A 106 -1.527 -4.128 -5.114 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.117 -4.849 -2.694 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.769 -4.390 -5.658 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.879 -5.210 -4.578 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.771 -3.926 -2.555 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -3.689 -2.023 -5.748 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.731 -1.690 -1.856 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -4.654 0.209 -5.039 1.00 3.33 H new ATOM 0 HH TYR A 106 -6.093 1.205 -3.748 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.094 -7.086 -3.078 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.766 -8.493 -3.235 1.00 40.22 C ATOM 1806 C VAL A 107 -2.825 -9.341 -2.533 1.00 71.32 C ATOM 1807 O VAL A 107 -3.636 -8.821 -1.768 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.349 -8.759 -2.721 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.261 -8.524 -1.212 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.109 -10.174 -3.084 1.00 51.41 C ATOM 0 H VAL A 107 -1.885 -6.699 -2.158 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.774 -8.772 -4.289 1.00 40.22 H new ATOM 0 HB VAL A 107 0.323 -8.054 -3.210 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.756 -8.720 -0.872 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.526 -7.490 -0.989 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.951 -9.194 -0.699 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.119 -10.337 -2.707 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.568 -10.902 -2.636 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.102 -10.292 -4.168 1.00 51.41 H new ATOM 1820 N THR A 108 -2.787 -10.635 -2.817 1.00 21.14 N ATOM 1821 CA THR A 108 -3.734 -11.561 -2.221 1.00 55.41 C ATOM 1822 C THR A 108 -3.105 -12.948 -2.075 1.00 62.50 C ATOM 1823 O THR A 108 -2.199 -13.305 -2.826 1.00 11.44 O ATOM 1824 CB THR A 108 -5.001 -11.557 -3.078 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.027 -10.254 -3.654 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.278 -11.616 -2.237 1.00 22.42 C ATOM 0 H THR A 108 -2.114 -11.064 -3.453 1.00 21.14 H new ATOM 0 HA THR A 108 -4.005 -11.254 -1.211 1.00 55.41 H new ATOM 0 HB THR A 108 -4.977 -12.405 -3.763 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.817 -10.165 -4.227 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.147 -11.611 -2.895 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.279 -12.529 -1.641 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.318 -10.751 -1.575 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.613 -13.694 -1.104 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.111 -15.034 -0.850 1.00 32.00 C ATOM 1836 C TYR A 109 -4.262 -16.030 -0.693 1.00 31.13 C ATOM 1837 O TYR A 109 -5.251 -15.740 -0.022 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.340 -14.952 0.470 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.234 -14.839 1.706 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.643 -13.599 2.151 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.631 -15.978 2.377 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.484 -13.492 3.315 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.472 -15.873 3.541 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.856 -14.634 3.953 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.651 -14.533 5.051 1.00 35.34 O ATOM 0 H TYR A 109 -4.366 -13.396 -0.484 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.489 -15.374 -1.678 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.712 -15.838 0.568 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.673 -14.091 0.437 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.332 -12.708 1.626 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.311 -16.949 2.029 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.812 -12.527 3.673 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.791 -16.756 4.074 1.00 51.34 H new ATOM 0 HH TYR A 109 -5.838 -15.428 5.403 1.00 35.34 H new ATOM 1855 N SER A 110 -4.096 -17.182 -1.325 1.00 65.21 N ATOM 1856 CA SER A 110 -5.109 -18.222 -1.264 1.00 13.24 C ATOM 1857 C SER A 110 -4.446 -19.587 -1.064 1.00 41.23 C ATOM 1858 O SER A 110 -3.292 -19.783 -1.443 1.00 40.25 O ATOM 1859 CB SER A 110 -5.966 -18.230 -2.531 1.00 42.53 C ATOM 1860 OG SER A 110 -6.949 -19.261 -2.503 1.00 73.50 O ATOM 0 H SER A 110 -3.275 -17.419 -1.882 1.00 65.21 H new ATOM 0 HA SER A 110 -5.762 -18.014 -0.416 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.457 -17.263 -2.643 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.324 -18.364 -3.402 1.00 42.53 H new ATOM 0 HG SER A 110 -7.663 -19.050 -3.141 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.204 -20.495 -0.467 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.705 -21.835 -0.212 1.00 10.15 C ATOM 1868 C GLY A 111 -4.764 -22.693 -1.478 1.00 11.13 C ATOM 1869 O GLY A 111 -4.445 -23.881 -1.443 1.00 34.05 O ATOM 0 H GLY A 111 -6.160 -20.329 -0.153 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.677 -21.782 0.148 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.295 -22.303 0.576 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.177 -22.058 -2.564 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.282 -22.748 -3.840 1.00 65.25 C ATOM 1875 C GLU A 112 -4.454 -22.026 -4.905 1.00 62.14 C ATOM 1876 O GLU A 112 -4.548 -20.809 -5.048 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.743 -22.876 -4.274 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.285 -21.534 -4.776 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.815 -21.525 -4.768 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.437 -21.141 -5.770 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.357 -21.934 -3.671 1.00 41.42 O ATOM 0 H GLU A 112 -5.443 -21.074 -2.588 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.883 -23.755 -3.720 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.828 -23.624 -5.062 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.346 -23.225 -3.436 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.909 -20.727 -4.146 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.922 -21.346 -5.786 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.661 -22.808 -5.622 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.819 -22.260 -6.671 1.00 34.31 C ATOM 1891 C ASN A 113 -3.685 -21.876 -7.871 1.00 20.23 C ATOM 1892 O ASN A 113 -3.192 -21.303 -8.840 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.786 -23.286 -7.141 1.00 45.03 C ATOM 1894 CG ASN A 113 -1.124 -22.839 -8.446 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.574 -23.147 -9.537 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.034 -22.099 -8.273 1.00 31.33 N ATOM 0 H ASN A 113 -3.584 -23.817 -5.497 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.304 -21.389 -6.266 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.026 -23.421 -6.371 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.268 -24.253 -7.286 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.481 -21.752 -9.082 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.288 -21.878 -7.331 1.00 31.33 H new ATOM 1903 N THR A 114 -4.964 -22.209 -7.766 1.00 2.32 N ATOM 1904 CA THR A 114 -5.905 -21.907 -8.830 1.00 50.23 C ATOM 1905 C THR A 114 -6.241 -20.414 -8.837 1.00 72.55 C ATOM 1906 O THR A 114 -6.021 -19.720 -7.846 1.00 12.33 O ATOM 1907 CB THR A 114 -7.130 -22.805 -8.648 1.00 73.22 C ATOM 1908 OG1 THR A 114 -7.221 -22.985 -7.238 1.00 70.52 O ATOM 1909 CG2 THR A 114 -6.905 -24.218 -9.190 1.00 53.33 C ATOM 0 H THR A 114 -5.370 -22.685 -6.960 1.00 2.32 H new ATOM 0 HA THR A 114 -5.475 -22.116 -9.809 1.00 50.23 H new ATOM 0 HB THR A 114 -7.987 -22.356 -9.149 1.00 73.22 H new ATOM 0 HG1 THR A 114 -7.991 -23.555 -7.030 1.00 70.52 H new ATOM 0 HG21 THR A 114 -7.804 -24.814 -9.036 1.00 53.33 H new ATOM 0 HG22 THR A 114 -6.681 -24.168 -10.256 1.00 53.33 H new ATOM 0 HG23 THR A 114 -6.069 -24.680 -8.665 1.00 53.33 H new ATOM 1917 N PHE A 115 -6.772 -19.965 -9.965 1.00 31.21 N ATOM 1918 CA PHE A 115 -7.142 -18.567 -10.114 1.00 74.33 C ATOM 1919 C PHE A 115 -8.457 -18.427 -10.883 1.00 52.11 C ATOM 1920 O PHE A 115 -8.472 -17.930 -12.008 1.00 2.34 O ATOM 1921 CB PHE A 115 -6.023 -17.891 -10.910 1.00 71.32 C ATOM 1922 CG PHE A 115 -5.282 -18.831 -11.862 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -5.785 -19.081 -13.101 1.00 71.13 C ATOM 1924 CD2 PHE A 115 -4.118 -19.419 -11.470 1.00 42.14 C ATOM 1925 CE1 PHE A 115 -5.096 -19.954 -13.985 1.00 73.42 C ATOM 1926 CE2 PHE A 115 -3.431 -20.292 -12.354 1.00 70.23 C ATOM 1927 CZ PHE A 115 -3.935 -20.541 -13.592 1.00 24.02 C ATOM 0 H PHE A 115 -6.955 -20.544 -10.784 1.00 31.21 H new ATOM 0 HA PHE A 115 -7.276 -18.110 -9.133 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -6.446 -17.068 -11.485 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -5.306 -17.457 -10.213 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -6.708 -18.616 -13.413 1.00 71.13 H new ATOM 0 HD2 PHE A 115 -3.717 -19.221 -10.487 1.00 42.14 H new ATOM 0 HE1 PHE A 115 -5.495 -20.151 -14.969 1.00 73.42 H new ATOM 0 HE2 PHE A 115 -2.508 -20.758 -12.043 1.00 70.23 H new ATOM 0 HZ PHE A 115 -3.412 -21.206 -14.264 1.00 24.02 H new ATOM 1937 N GLY A 116 -9.529 -18.874 -10.246 1.00 41.22 N ATOM 1938 CA GLY A 116 -10.846 -18.805 -10.856 1.00 63.52 C ATOM 1939 C GLY A 116 -11.946 -18.867 -9.794 1.00 53.54 C ATOM 1940 O GLY A 116 -13.131 -18.886 -10.125 1.00 21.00 O ATOM 0 H GLY A 116 -9.512 -19.286 -9.313 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -10.938 -17.881 -11.427 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -10.968 -19.628 -11.560 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -20.523 -5.763 18.778 1.00 75.34 N ATOM 1946 CA GLY B 597 -20.289 -5.201 17.459 1.00 34.21 C ATOM 1947 C GLY B 597 -20.869 -6.103 16.367 1.00 23.30 C ATOM 1948 O GLY B 597 -20.130 -6.632 15.538 1.00 40.31 O ATOM 0 HA2 GLY B 597 -20.741 -4.211 17.396 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -19.218 -5.073 17.299 1.00 34.21 H new ATOM 1952 N PRO B 598 -22.220 -6.255 16.406 1.00 62.55 N ATOM 1953 CA PRO B 598 -22.906 -7.086 15.428 1.00 62.45 C ATOM 1954 C PRO B 598 -22.989 -6.382 14.073 1.00 14.31 C ATOM 1955 O PRO B 598 -22.700 -5.192 13.969 1.00 53.31 O ATOM 1956 CB PRO B 598 -24.271 -7.362 16.039 1.00 22.45 C ATOM 1957 CG PRO B 598 -24.471 -6.303 17.112 1.00 50.22 C ATOM 1958 CD PRO B 598 -23.126 -5.646 17.373 1.00 31.51 C ATOM 0 HA PRO B 598 -22.379 -8.018 15.222 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -25.055 -7.306 15.284 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -24.312 -8.364 16.467 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -25.201 -5.562 16.786 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -24.860 -6.753 18.025 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -23.181 -4.566 17.238 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -22.791 -5.823 18.395 1.00 31.51 H new ATOM 1966 N HIS B 599 -23.386 -7.150 13.069 1.00 20.43 N ATOM 1967 CA HIS B 599 -23.510 -6.614 11.723 1.00 24.33 C ATOM 1968 C HIS B 599 -24.988 -6.383 11.397 1.00 13.23 C ATOM 1969 O HIS B 599 -25.847 -7.164 11.804 1.00 43.53 O ATOM 1970 CB HIS B 599 -22.815 -7.526 10.710 1.00 5.22 C ATOM 1971 CG HIS B 599 -21.637 -8.286 11.273 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -21.182 -9.473 10.729 1.00 2.12 N ATOM 1973 CD2 HIS B 599 -20.827 -8.011 12.335 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -20.144 -9.888 11.440 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -19.926 -8.981 12.434 1.00 14.21 N ATOM 0 H HIS B 599 -23.626 -8.137 13.160 1.00 20.43 H new ATOM 0 HA HIS B 599 -23.005 -5.650 11.663 1.00 24.33 H new ATOM 0 HB2 HIS B 599 -23.542 -8.239 10.321 1.00 5.22 H new ATOM 0 HB3 HIS B 599 -22.476 -6.924 9.867 1.00 5.22 H new ATOM 0 HD2 HIS B 599 -20.905 -7.151 12.984 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -19.571 -10.787 11.263 1.00 22.11 H new ATOM 0 HE2 HIS B 599 -19.191 -9.038 13.139 1.00 14.21 H new ATOM 1984 N MET B 600 -25.238 -5.307 10.666 1.00 35.21 N ATOM 1985 CA MET B 600 -26.596 -4.963 10.281 1.00 63.23 C ATOM 1986 C MET B 600 -26.602 -3.856 9.225 1.00 12.44 C ATOM 1987 O MET B 600 -25.642 -3.095 9.113 1.00 13.20 O ATOM 1988 CB MET B 600 -27.374 -4.497 11.514 1.00 40.24 C ATOM 1989 CG MET B 600 -28.834 -4.206 11.164 1.00 42.43 C ATOM 1990 SD MET B 600 -29.773 -3.912 12.653 1.00 51.21 S ATOM 1991 CE MET B 600 -29.691 -2.130 12.723 1.00 71.31 C ATOM 0 H MET B 600 -24.523 -4.662 10.330 1.00 35.21 H new ATOM 0 HA MET B 600 -27.069 -5.848 9.856 1.00 63.23 H new ATOM 0 HB2 MET B 600 -27.328 -5.263 12.288 1.00 40.24 H new ATOM 0 HB3 MET B 600 -26.909 -3.600 11.924 1.00 40.24 H new ATOM 0 HG2 MET B 600 -28.893 -3.336 10.510 1.00 42.43 H new ATOM 0 HG3 MET B 600 -29.260 -5.047 10.616 1.00 42.43 H new ATOM 0 HE1 MET B 600 -30.231 -1.775 13.601 1.00 71.31 H new ATOM 0 HE2 MET B 600 -28.649 -1.816 12.787 1.00 71.31 H new ATOM 0 HE3 MET B 600 -30.142 -1.709 11.824 1.00 71.31 H new ATOM 2001 N ILE B 601 -27.695 -3.801 8.479 1.00 63.02 N ATOM 2002 CA ILE B 601 -27.840 -2.799 7.435 1.00 4.30 C ATOM 2003 C ILE B 601 -28.499 -1.550 8.022 1.00 60.31 C ATOM 2004 O ILE B 601 -29.568 -1.139 7.574 1.00 72.44 O ATOM 2005 CB ILE B 601 -28.585 -3.382 6.233 1.00 25.01 C ATOM 2006 CG1 ILE B 601 -27.929 -4.680 5.758 1.00 55.25 C ATOM 2007 CG2 ILE B 601 -28.701 -2.351 5.109 1.00 53.51 C ATOM 2008 CD1 ILE B 601 -26.546 -4.408 5.161 1.00 12.21 C ATOM 0 H ILE B 601 -28.489 -4.434 8.576 1.00 63.02 H new ATOM 0 HA ILE B 601 -26.863 -2.496 7.058 1.00 4.30 H new ATOM 0 HB ILE B 601 -29.599 -3.632 6.546 1.00 25.01 H new ATOM 0 HG12 ILE B 601 -27.838 -5.373 6.594 1.00 55.25 H new ATOM 0 HG13 ILE B 601 -28.563 -5.161 5.013 1.00 55.25 H new ATOM 0 HG21 ILE B 601 -29.235 -2.790 4.266 1.00 53.51 H new ATOM 0 HG22 ILE B 601 -29.247 -1.479 5.470 1.00 53.51 H new ATOM 0 HG23 ILE B 601 -27.704 -2.048 4.789 1.00 53.51 H new ATOM 0 HD11 ILE B 601 -26.101 -5.347 4.831 1.00 12.21 H new ATOM 0 HD12 ILE B 601 -26.643 -3.734 4.310 1.00 12.21 H new ATOM 0 HD13 ILE B 601 -25.907 -3.950 5.916 1.00 12.21 H new ATOM 2020 N SER B 602 -27.835 -0.980 9.017 1.00 24.53 N ATOM 2021 CA SER B 602 -28.343 0.215 9.669 1.00 44.02 C ATOM 2022 C SER B 602 -28.718 1.264 8.621 1.00 51.34 C ATOM 2023 O SER B 602 -27.919 1.581 7.742 1.00 54.12 O ATOM 2024 CB SER B 602 -27.317 0.787 10.649 1.00 55.44 C ATOM 2025 OG SER B 602 -25.997 0.769 10.111 1.00 51.42 O ATOM 0 H SER B 602 -26.949 -1.324 9.388 1.00 24.53 H new ATOM 0 HA SER B 602 -29.233 -0.058 10.236 1.00 44.02 H new ATOM 0 HB2 SER B 602 -27.591 1.811 10.904 1.00 55.44 H new ATOM 0 HB3 SER B 602 -27.339 0.211 11.574 1.00 55.44 H new ATOM 0 HG SER B 602 -25.646 1.683 10.075 1.00 51.42 H new ATOM 2031 N GLY B 603 -29.934 1.775 8.750 1.00 22.21 N ATOM 2032 CA GLY B 603 -30.425 2.783 7.825 1.00 23.01 C ATOM 2033 C GLY B 603 -30.212 4.190 8.383 1.00 13.24 C ATOM 2034 O GLY B 603 -30.005 5.137 7.627 1.00 71.31 O ATOM 0 H GLY B 603 -30.594 1.510 9.481 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -29.911 2.686 6.869 1.00 23.01 H new ATOM 0 HA3 GLY B 603 -31.486 2.620 7.634 1.00 23.01 H new ATOM 2038 N LEU B 604 -30.269 4.283 9.704 1.00 23.11 N ATOM 2039 CA LEU B 604 -30.084 5.560 10.373 1.00 33.20 C ATOM 2040 C LEU B 604 -28.658 6.056 10.131 1.00 61.43 C ATOM 2041 O LEU B 604 -28.358 7.230 10.351 1.00 44.14 O ATOM 2042 CB LEU B 604 -30.453 5.447 11.853 1.00 63.33 C ATOM 2043 CG LEU B 604 -29.377 4.862 12.770 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -29.471 5.458 14.175 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -29.447 3.334 12.790 1.00 62.25 C ATOM 0 H LEU B 604 -30.441 3.495 10.329 1.00 23.11 H new ATOM 0 HA LEU B 604 -30.757 6.309 9.956 1.00 33.20 H new ATOM 0 HB2 LEU B 604 -30.713 6.440 12.219 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -31.348 4.831 11.938 1.00 63.33 H new ATOM 0 HG LEU B 604 -28.401 5.135 12.369 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -28.695 5.025 14.806 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -29.335 6.538 14.122 1.00 3.42 H new ATOM 0 HD13 LEU B 604 -30.450 5.236 14.600 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -28.672 2.943 13.449 1.00 62.25 H new ATOM 0 HD22 LEU B 604 -30.425 3.019 13.154 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -29.294 2.950 11.782 1.00 62.25 H new ATOM 2057 N SER B 605 -27.814 5.139 9.680 1.00 60.21 N ATOM 2058 CA SER B 605 -26.425 5.468 9.407 1.00 72.42 C ATOM 2059 C SER B 605 -26.130 5.290 7.915 1.00 55.33 C ATOM 2060 O SER B 605 -25.418 4.365 7.525 1.00 51.11 O ATOM 2061 CB SER B 605 -25.479 4.604 10.242 1.00 73.05 C ATOM 2062 OG SER B 605 -26.038 3.325 10.530 1.00 72.33 O ATOM 0 H SER B 605 -28.066 4.168 9.497 1.00 60.21 H new ATOM 0 HA SER B 605 -26.259 6.509 9.683 1.00 72.42 H new ATOM 0 HB2 SER B 605 -24.538 4.476 9.707 1.00 73.05 H new ATOM 0 HB3 SER B 605 -25.248 5.117 11.175 1.00 73.05 H new ATOM 0 HG SER B 605 -26.182 3.241 11.496 1.00 72.33 H new ATOM 2068 N VAL B 606 -26.692 6.191 7.122 1.00 13.10 N ATOM 2069 CA VAL B 606 -26.498 6.144 5.683 1.00 10.05 C ATOM 2070 C VAL B 606 -25.003 6.036 5.378 1.00 33.11 C ATOM 2071 O VAL B 606 -24.170 6.179 6.273 1.00 74.11 O ATOM 2072 CB VAL B 606 -27.155 7.362 5.028 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -27.132 7.243 3.502 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -28.583 7.556 5.541 1.00 64.30 C ATOM 0 H VAL B 606 -27.281 6.957 7.449 1.00 13.10 H new ATOM 0 HA VAL B 606 -26.981 5.263 5.260 1.00 10.05 H new ATOM 0 HB VAL B 606 -26.577 8.244 5.304 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -27.605 8.121 3.061 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -26.100 7.175 3.158 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -27.675 6.348 3.199 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -29.027 8.428 5.060 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -29.176 6.672 5.309 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -28.564 7.707 6.620 1.00 64.30 H new ATOM 2084 N ILE B 607 -24.706 5.785 4.111 1.00 53.13 N ATOM 2085 CA ILE B 607 -23.326 5.655 3.676 1.00 52.11 C ATOM 2086 C ILE B 607 -22.474 6.713 4.381 1.00 71.45 C ATOM 2087 O ILE B 607 -22.982 7.757 4.785 1.00 12.45 O ATOM 2088 CB ILE B 607 -23.237 5.710 2.149 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -23.845 4.454 1.521 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -21.796 5.941 1.692 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -23.409 4.307 0.061 1.00 71.40 C ATOM 0 H ILE B 607 -25.399 5.668 3.371 1.00 53.13 H new ATOM 0 HA ILE B 607 -22.926 4.681 3.959 1.00 52.11 H new ATOM 0 HB ILE B 607 -23.824 6.560 1.801 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -23.538 3.574 2.087 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -24.932 4.505 1.577 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -21.761 5.976 0.603 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -21.433 6.885 2.097 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -21.166 5.127 2.049 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -23.854 3.407 -0.363 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -23.739 5.177 -0.507 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -22.323 4.232 0.011 1.00 71.40 H new ATOM 2103 N LYS B 608 -21.190 6.405 4.503 1.00 54.41 N ATOM 2104 CA LYS B 608 -20.261 7.316 5.151 1.00 40.33 C ATOM 2105 C LYS B 608 -18.829 6.923 4.785 1.00 31.41 C ATOM 2106 O LYS B 608 -18.494 5.740 4.756 1.00 62.21 O ATOM 2107 CB LYS B 608 -20.521 7.364 6.658 1.00 33.02 C ATOM 2108 CG LYS B 608 -20.299 5.990 7.295 1.00 2.52 C ATOM 2109 CD LYS B 608 -21.580 5.153 7.252 1.00 35.40 C ATOM 2110 CE LYS B 608 -22.483 5.470 8.446 1.00 71.52 C ATOM 2111 NZ LYS B 608 -22.306 6.878 8.870 1.00 1.31 N ATOM 0 H LYS B 608 -20.772 5.538 4.164 1.00 54.41 H new ATOM 0 HA LYS B 608 -20.413 8.334 4.793 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -19.859 8.095 7.122 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -21.543 7.695 6.844 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -19.500 5.466 6.770 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -19.974 6.112 8.328 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -22.116 5.350 6.324 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -21.326 4.093 7.255 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -23.525 5.293 8.179 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -22.248 4.802 9.275 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -22.834 7.044 9.751 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -21.296 7.068 9.030 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -22.664 7.512 8.127 1.00 1.31 H new ATOM 2125 N GLN B 609 -18.022 7.938 4.515 1.00 50.12 N ATOM 2126 CA GLN B 609 -16.632 7.714 4.151 1.00 30.54 C ATOM 2127 C GLN B 609 -15.752 7.702 5.401 1.00 50.42 C ATOM 2128 O GLN B 609 -14.545 7.488 5.313 1.00 51.34 O ATOM 2129 CB GLN B 609 -16.150 8.767 3.152 1.00 75.51 C ATOM 2130 CG GLN B 609 -16.432 8.328 1.713 1.00 42.52 C ATOM 2131 CD GLN B 609 -17.703 8.990 1.177 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -18.185 9.982 1.699 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -18.216 8.388 0.108 1.00 24.14 N ATOM 0 H GLN B 609 -18.303 8.918 4.541 1.00 50.12 H new ATOM 0 HA GLN B 609 -16.556 6.740 3.667 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -16.648 9.716 3.350 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -15.081 8.934 3.282 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -15.586 8.589 1.077 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -16.538 7.244 1.674 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -17.762 7.561 -0.279 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -19.064 8.754 -0.325 1.00 24.14 H new ATOM 2142 N GLU B 610 -16.391 7.932 6.539 1.00 74.31 N ATOM 2143 CA GLU B 610 -15.681 7.950 7.807 1.00 25.44 C ATOM 2144 C GLU B 610 -14.922 6.638 8.008 1.00 44.11 C ATOM 2145 O GLU B 610 -14.849 5.812 7.098 1.00 14.02 O ATOM 2146 CB GLU B 610 -16.641 8.212 8.969 1.00 15.33 C ATOM 2147 CG GLU B 610 -17.757 7.166 9.005 1.00 10.24 C ATOM 2148 CD GLU B 610 -18.722 7.433 10.162 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -19.927 7.612 9.937 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -18.178 7.448 11.332 1.00 64.00 O ATOM 0 H GLU B 610 -17.393 8.108 6.609 1.00 74.31 H new ATOM 0 HA GLU B 610 -14.958 8.766 7.785 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -16.091 8.195 9.910 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -17.074 9.208 8.870 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -18.303 7.179 8.061 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -17.324 6.171 9.110 1.00 10.24 H new ATOM 2158 N VAL B 611 -14.375 6.485 9.205 1.00 40.31 N ATOM 2159 CA VAL B 611 -13.623 5.287 9.537 1.00 23.14 C ATOM 2160 C VAL B 611 -14.019 4.814 10.938 1.00 74.53 C ATOM 2161 O VAL B 611 -14.960 5.339 11.531 1.00 54.30 O ATOM 2162 CB VAL B 611 -12.123 5.555 9.398 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -11.728 5.706 7.927 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -11.708 6.784 10.207 1.00 41.14 C ATOM 0 H VAL B 611 -14.438 7.171 9.957 1.00 40.31 H new ATOM 0 HA VAL B 611 -13.861 4.482 8.842 1.00 23.14 H new ATOM 0 HB VAL B 611 -11.590 4.694 9.802 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -10.657 5.896 7.855 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -11.971 4.790 7.389 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -12.274 6.540 7.487 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -10.637 6.952 10.091 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -12.253 7.657 9.848 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -11.937 6.621 11.260 1.00 41.14 H new ATOM 2174 N GLU B 612 -13.279 3.828 11.425 1.00 53.42 N ATOM 2175 CA GLU B 612 -13.540 3.279 12.746 1.00 32.05 C ATOM 2176 C GLU B 612 -12.342 3.520 13.667 1.00 35.50 C ATOM 2177 O GLU B 612 -12.504 4.006 14.785 1.00 5.21 O ATOM 2178 CB GLU B 612 -13.877 1.789 12.662 1.00 3.50 C ATOM 2179 CG GLU B 612 -12.718 0.998 12.051 1.00 33.52 C ATOM 2180 CD GLU B 612 -13.124 -0.452 11.787 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -12.321 -1.371 12.008 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -14.323 -0.610 11.335 1.00 41.42 O ATOM 0 H GLU B 612 -12.500 3.395 10.929 1.00 53.42 H new ATOM 0 HA GLU B 612 -14.405 3.791 13.167 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -14.098 1.406 13.658 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -14.775 1.649 12.060 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -12.404 1.467 11.118 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -11.861 1.023 12.724 1.00 33.52 H new ATOM 2190 N ARG B 613 -11.169 3.171 13.163 1.00 12.02 N ATOM 2191 CA ARG B 613 -9.945 3.343 13.927 1.00 41.35 C ATOM 2192 C ARG B 613 -8.834 3.900 13.034 1.00 24.23 C ATOM 2193 O ARG B 613 -8.121 4.821 13.425 1.00 43.52 O ATOM 2194 CB ARG B 613 -9.483 2.017 14.535 1.00 13.42 C ATOM 2195 CG ARG B 613 -9.107 1.014 13.442 1.00 61.03 C ATOM 2196 CD ARG B 613 -8.997 -0.401 14.011 1.00 71.31 C ATOM 2197 NE ARG B 613 -10.273 -0.788 14.656 1.00 61.42 N ATOM 2198 CZ ARG B 613 -10.393 -1.786 15.556 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -9.314 -2.510 15.925 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -11.581 -2.046 16.070 1.00 25.13 N ATOM 0 H ARG B 613 -11.039 2.770 12.234 1.00 12.02 H new ATOM 0 HA ARG B 613 -10.155 4.046 14.733 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -8.625 2.190 15.185 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -10.276 1.602 15.157 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -9.857 1.034 12.651 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -8.158 1.303 12.989 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -8.755 -1.104 13.214 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -8.184 -0.448 14.736 1.00 71.31 H new ATOM 0 HE ARG B 613 -11.113 -0.268 14.404 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -8.400 -2.304 15.523 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -9.414 -3.263 16.606 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -12.391 -1.496 15.785 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -11.688 -2.797 16.752 1.00 25.13 H new ATOM 2214 N LEU B 614 -8.724 3.317 11.848 1.00 54.24 N ATOM 2215 CA LEU B 614 -7.714 3.744 10.895 1.00 61.12 C ATOM 2216 C LEU B 614 -8.156 5.056 10.243 1.00 40.40 C ATOM 2217 O LEU B 614 -9.306 5.189 9.827 1.00 75.01 O ATOM 2218 CB LEU B 614 -7.418 2.628 9.892 1.00 22.24 C ATOM 2219 CG LEU B 614 -6.889 1.319 10.482 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.024 0.317 10.699 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -5.770 0.740 9.616 1.00 23.23 C ATOM 0 H LEU B 614 -9.318 2.553 11.526 1.00 54.24 H new ATOM 0 HA LEU B 614 -6.770 3.942 11.403 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -8.332 2.411 9.340 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -6.690 2.999 9.170 1.00 22.24 H new ATOM 0 HG LEU B 614 -6.459 1.534 11.460 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -7.621 -0.604 11.119 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -8.756 0.740 11.387 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -8.506 0.101 9.745 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -5.412 -0.190 10.058 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -6.151 0.543 8.614 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -4.948 1.454 9.558 1.00 23.23 H new ATOM 2233 N GLY B 615 -7.219 5.990 10.173 1.00 40.14 N ATOM 2234 CA GLY B 615 -7.497 7.286 9.578 1.00 55.23 C ATOM 2235 C GLY B 615 -6.335 7.743 8.693 1.00 22.31 C ATOM 2236 O GLY B 615 -6.228 7.327 7.540 1.00 54.11 O ATOM 0 H GLY B 615 -6.266 5.875 10.519 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -8.410 7.230 8.985 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -7.672 8.021 10.364 1.00 55.23 H new ATOM 2240 N ASN B 616 -5.497 8.594 9.266 1.00 44.14 N ATOM 2241 CA ASN B 616 -4.349 9.113 8.544 1.00 32.45 C ATOM 2242 C ASN B 616 -3.156 8.177 8.750 1.00 32.00 C ATOM 2243 O ASN B 616 -2.449 7.846 7.800 1.00 44.11 O ATOM 2244 CB ASN B 616 -3.955 10.500 9.056 1.00 34.14 C ATOM 2245 CG ASN B 616 -3.323 10.410 10.447 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -3.827 9.757 11.346 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -2.194 11.102 10.574 1.00 63.11 N ATOM 0 H ASN B 616 -5.590 8.937 10.222 1.00 44.14 H new ATOM 0 HA ASN B 616 -4.618 9.181 7.490 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -3.253 10.962 8.362 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -4.835 11.142 9.093 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -1.696 11.107 11.464 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -1.826 11.628 9.781 1.00 63.11 H new ATOM 2254 N ASP B 617 -2.968 7.776 9.999 1.00 35.43 N ATOM 2255 CA ASP B 617 -1.874 6.885 10.344 1.00 0.54 C ATOM 2256 C ASP B 617 -2.185 5.479 9.826 1.00 31.41 C ATOM 2257 O ASP B 617 -1.311 4.613 9.806 1.00 64.21 O ATOM 2258 CB ASP B 617 -1.688 6.800 11.860 1.00 3.41 C ATOM 2259 CG ASP B 617 -0.872 7.938 12.476 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -0.421 8.854 11.772 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -0.704 7.858 13.752 1.00 32.53 O ATOM 0 H ASP B 617 -3.556 8.053 10.785 1.00 35.43 H new ATOM 0 HA ASP B 617 -0.964 7.278 9.892 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -2.671 6.781 12.331 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -1.202 5.854 12.099 1.00 3.41 H new ATOM 2267 N VAL B 618 -3.432 5.296 9.418 1.00 60.45 N ATOM 2268 CA VAL B 618 -3.870 4.009 8.903 1.00 71.01 C ATOM 2269 C VAL B 618 -3.244 2.891 9.737 1.00 52.14 C ATOM 2270 O VAL B 618 -2.937 1.820 9.215 1.00 72.10 O ATOM 2271 CB VAL B 618 -3.538 3.904 7.413 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -4.694 4.420 6.556 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -2.240 4.645 7.087 1.00 73.24 C ATOM 0 H VAL B 618 -4.153 6.017 9.433 1.00 60.45 H new ATOM 0 HA VAL B 618 -4.952 3.909 8.989 1.00 71.01 H new ATOM 0 HB VAL B 618 -3.391 2.850 7.176 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -4.432 4.334 5.502 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -5.588 3.829 6.757 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -4.888 5.465 6.798 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -2.027 4.555 6.022 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -2.347 5.698 7.348 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -1.420 4.211 7.659 1.00 73.24 H new ATOM 2283 N PHE B 619 -3.072 3.176 11.020 1.00 25.44 N ATOM 2284 CA PHE B 619 -2.487 2.207 11.930 1.00 11.22 C ATOM 2285 C PHE B 619 -2.961 2.448 13.365 1.00 72.23 C ATOM 2286 O PHE B 619 -2.794 3.542 13.902 1.00 20.52 O ATOM 2287 CB PHE B 619 -0.969 2.394 11.868 1.00 22.20 C ATOM 2288 CG PHE B 619 -0.334 1.894 10.570 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -0.755 0.728 10.011 1.00 21.51 C ATOM 2290 CD2 PHE B 619 0.652 2.617 9.974 1.00 44.43 C ATOM 2291 CE1 PHE B 619 -0.164 0.264 8.805 1.00 51.22 C ATOM 2292 CE2 PHE B 619 1.243 2.154 8.769 1.00 2.14 C ATOM 2293 CZ PHE B 619 0.821 0.987 8.210 1.00 0.11 C ATOM 0 H PHE B 619 -3.328 4.065 11.450 1.00 25.44 H new ATOM 0 HA PHE B 619 -2.784 1.199 11.642 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -0.738 3.452 11.989 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -0.514 1.870 12.709 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.539 0.155 10.484 1.00 21.51 H new ATOM 0 HD2 PHE B 619 0.985 3.544 10.418 1.00 44.43 H new ATOM 0 HE1 PHE B 619 -0.497 -0.663 8.361 1.00 51.22 H new ATOM 0 HE2 PHE B 619 2.027 2.727 8.296 1.00 2.14 H new ATOM 0 HZ PHE B 619 1.269 0.635 7.293 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.543 1.408 13.944 1.00 25.21 N ATOM 2304 CA GLU B 620 -4.043 1.492 15.306 1.00 20.41 C ATOM 2305 C GLU B 620 -3.752 0.193 16.060 1.00 10.51 C ATOM 2306 O GLU B 620 -3.146 0.214 17.130 1.00 10.54 O ATOM 2307 CB GLU B 620 -5.538 1.814 15.323 1.00 32.30 C ATOM 2308 CG GLU B 620 -5.942 2.612 14.080 1.00 52.04 C ATOM 2309 CD GLU B 620 -5.341 4.018 14.114 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -5.284 4.644 15.183 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -4.921 4.459 12.976 1.00 53.42 O ATOM 0 H GLU B 620 -3.680 0.503 13.495 1.00 25.21 H new ATOM 0 HA GLU B 620 -3.525 2.306 15.813 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -6.112 0.889 15.368 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -5.781 2.384 16.220 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -5.607 2.091 13.183 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -7.028 2.678 14.023 1.00 52.04 H new ATOM 2319 N TRP B 621 -4.200 -0.907 15.472 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.994 -2.214 16.074 1.00 24.13 C ATOM 2321 C TRP B 621 -2.500 -2.374 16.360 1.00 42.02 C ATOM 2322 O TRP B 621 -1.685 -1.586 15.883 1.00 11.11 O ATOM 2323 CB TRP B 621 -4.555 -3.322 15.180 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.729 -3.581 13.919 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.578 -4.260 13.811 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -4.038 -3.135 12.582 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -2.126 -4.284 12.507 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -3.043 -3.578 11.736 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -5.125 -2.381 12.102 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -3.033 -3.319 10.361 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -5.101 -2.131 10.725 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -4.105 -2.570 9.861 1.00 64.22 C ATOM 0 H TRP B 621 -4.705 -0.920 14.586 1.00 11.35 H new ATOM 0 HA TRP B 621 -4.537 -2.296 17.015 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.617 -4.244 15.757 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -5.572 -3.060 14.888 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -2.069 -4.729 14.640 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -1.276 -4.736 12.171 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -5.915 -2.023 12.745 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -2.241 -3.677 9.720 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -5.913 -1.557 10.305 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -4.158 -2.334 8.808 1.00 64.22 H new ATOM 2343 N GLU B 622 -2.186 -3.398 17.140 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.804 -3.671 17.496 1.00 41.33 C ATOM 2345 C GLU B 622 0.112 -3.423 16.296 1.00 13.42 C ATOM 2346 O GLU B 622 -0.318 -3.535 15.149 1.00 1.24 O ATOM 2347 CB GLU B 622 -0.646 -5.100 18.022 1.00 62.13 C ATOM 2348 CG GLU B 622 0.830 -5.495 18.096 1.00 34.31 C ATOM 2349 CD GLU B 622 1.557 -4.699 19.182 1.00 41.32 C ATOM 2350 OE1 GLU B 622 2.792 -4.596 19.153 1.00 64.15 O ATOM 2351 OE2 GLU B 622 0.791 -4.173 20.077 1.00 44.04 O ATOM 0 H GLU B 622 -2.865 -4.049 17.535 1.00 25.53 H new ATOM 0 HA GLU B 622 -0.513 -2.990 18.296 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -1.098 -5.180 19.011 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -1.180 -5.792 17.371 1.00 62.13 H new ATOM 0 HG2 GLU B 622 0.915 -6.562 18.304 1.00 34.31 H new ATOM 0 HG3 GLU B 622 1.306 -5.319 17.131 1.00 34.31 H new ATOM 2359 N ASP B 623 1.358 -3.094 16.602 1.00 21.43 N ATOM 2360 CA ASP B 623 2.339 -2.829 15.564 1.00 72.32 C ATOM 2361 C ASP B 623 1.804 -1.741 14.629 1.00 14.13 C ATOM 2362 O ASP B 623 0.954 -2.010 13.782 1.00 14.44 O ATOM 2363 CB ASP B 623 2.606 -4.082 14.727 1.00 24.22 C ATOM 2364 CG ASP B 623 3.302 -5.222 15.473 1.00 54.21 C ATOM 2365 OD1 ASP B 623 4.461 -5.093 15.898 1.00 4.31 O ATOM 2366 OD2 ASP B 623 2.595 -6.291 15.616 1.00 14.51 O ATOM 0 H ASP B 623 1.711 -3.005 17.555 1.00 21.43 H new ATOM 0 HA ASP B 623 3.264 -2.513 16.046 1.00 72.32 H new ATOM 0 HB2 ASP B 623 1.657 -4.449 14.337 1.00 24.22 H new ATOM 0 HB3 ASP B 623 3.217 -3.804 13.868 1.00 24.22 H new ATOM 2372 N ASP B 624 2.326 -0.538 14.814 1.00 63.21 N ATOM 2373 CA ASP B 624 1.912 0.591 13.997 1.00 2.44 C ATOM 2374 C ASP B 624 2.479 0.428 12.586 1.00 5.53 C ATOM 2375 O ASP B 624 1.725 0.308 11.621 1.00 43.52 O ATOM 2376 CB ASP B 624 2.442 1.908 14.570 1.00 43.24 C ATOM 2377 CG ASP B 624 2.079 3.155 13.762 1.00 11.11 C ATOM 2378 OD1 ASP B 624 2.827 3.576 12.867 1.00 61.32 O ATOM 2379 OD2 ASP B 624 0.962 3.710 14.088 1.00 24.20 O ATOM 0 H ASP B 624 3.032 -0.320 15.517 1.00 63.21 H new ATOM 0 HA ASP B 624 0.822 0.616 13.982 1.00 2.44 H new ATOM 0 HB2 ASP B 624 2.060 2.026 15.584 1.00 43.24 H new ATOM 0 HB3 ASP B 624 3.528 1.844 14.644 1.00 43.24 H new ATOM 2385 N GLU B 625 3.802 0.428 12.509 1.00 20.02 N ATOM 2386 CA GLU B 625 4.477 0.281 11.231 1.00 44.10 C ATOM 2387 C GLU B 625 5.494 -0.859 11.295 1.00 71.11 C ATOM 2388 O GLU B 625 6.376 -0.959 10.443 1.00 31.20 O ATOM 2389 CB GLU B 625 5.148 1.591 10.812 1.00 13.31 C ATOM 2390 CG GLU B 625 6.082 2.105 11.910 1.00 75.10 C ATOM 2391 CD GLU B 625 7.262 2.872 11.311 1.00 32.24 C ATOM 2392 OE1 GLU B 625 7.993 2.328 10.472 1.00 75.01 O ATOM 2393 OE2 GLU B 625 7.407 4.077 11.748 1.00 11.44 O ATOM 0 H GLU B 625 4.424 0.527 13.311 1.00 20.02 H new ATOM 0 HA GLU B 625 3.731 0.034 10.475 1.00 44.10 H new ATOM 0 HB2 GLU B 625 5.712 1.437 9.892 1.00 13.31 H new ATOM 0 HB3 GLU B 625 4.387 2.341 10.597 1.00 13.31 H new ATOM 0 HG2 GLU B 625 5.529 2.754 12.589 1.00 75.10 H new ATOM 0 HG3 GLU B 625 6.451 1.266 12.501 1.00 75.10 H new ATOM 2401 N SER B 626 5.339 -1.690 12.316 1.00 3.43 N ATOM 2402 CA SER B 626 6.235 -2.820 12.503 1.00 72.44 C ATOM 2403 C SER B 626 6.572 -3.449 11.150 1.00 60.04 C ATOM 2404 O SER B 626 5.798 -3.345 10.201 1.00 70.54 O ATOM 2405 CB SER B 626 5.615 -3.864 13.434 1.00 35.15 C ATOM 2406 OG SER B 626 6.589 -4.774 13.936 1.00 4.03 O ATOM 0 H SER B 626 4.607 -1.604 13.022 1.00 3.43 H new ATOM 0 HA SER B 626 7.153 -2.458 12.966 1.00 72.44 H new ATOM 0 HB2 SER B 626 5.124 -3.361 14.267 1.00 35.15 H new ATOM 0 HB3 SER B 626 4.844 -4.417 12.897 1.00 35.15 H new ATOM 0 HG SER B 626 6.243 -5.212 14.741 1.00 4.03 H new ATOM 2412 N ASP B 627 7.732 -4.089 11.104 1.00 24.54 N ATOM 2413 CA ASP B 627 8.183 -4.736 9.884 1.00 32.12 C ATOM 2414 C ASP B 627 7.726 -6.196 9.886 1.00 14.14 C ATOM 2415 O ASP B 627 8.162 -6.988 9.053 1.00 24.25 O ATOM 2416 CB ASP B 627 9.709 -4.719 9.784 1.00 1.41 C ATOM 2417 CG ASP B 627 10.447 -4.940 11.105 1.00 61.45 C ATOM 2418 OD1 ASP B 627 10.980 -3.994 11.705 1.00 61.00 O ATOM 2419 OD2 ASP B 627 10.463 -6.160 11.523 1.00 21.33 O ATOM 0 H ASP B 627 8.373 -4.173 11.893 1.00 24.54 H new ATOM 0 HA ASP B 627 7.760 -4.194 9.039 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.020 -5.489 9.078 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.020 -3.761 9.368 1.00 1.41 H new ATOM 2425 N GLU B 628 6.850 -6.507 10.832 1.00 14.44 N ATOM 2426 CA GLU B 628 6.329 -7.857 10.953 1.00 65.14 C ATOM 2427 C GLU B 628 5.410 -8.181 9.773 1.00 32.14 C ATOM 2428 O GLU B 628 5.071 -9.340 9.544 1.00 70.04 O ATOM 2429 CB GLU B 628 5.599 -8.046 12.284 1.00 14.41 C ATOM 2430 CG GLU B 628 4.194 -7.442 12.230 1.00 3.20 C ATOM 2431 CD GLU B 628 3.410 -7.762 13.503 1.00 42.30 C ATOM 2432 OE1 GLU B 628 2.184 -7.937 13.448 1.00 1.42 O ATOM 2433 OE2 GLU B 628 4.120 -7.829 14.579 1.00 3.33 O ATOM 0 H GLU B 628 6.489 -5.847 11.521 1.00 14.44 H new ATOM 0 HA GLU B 628 7.169 -8.551 10.935 1.00 65.14 H new ATOM 0 HB2 GLU B 628 5.533 -9.108 12.519 1.00 14.41 H new ATOM 0 HB3 GLU B 628 6.170 -7.577 13.086 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.264 -6.362 12.104 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.660 -7.831 11.363 1.00 3.20 H new ATOM 2441 N ILE B 629 5.032 -7.132 9.056 1.00 24.41 N ATOM 2442 CA ILE B 629 4.158 -7.289 7.905 1.00 43.42 C ATOM 2443 C ILE B 629 5.008 -7.433 6.641 1.00 31.11 C ATOM 2444 O ILE B 629 4.589 -7.026 5.559 1.00 23.45 O ATOM 2445 CB ILE B 629 3.148 -6.142 7.840 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.833 -4.794 8.072 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.992 -6.373 8.816 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.093 -4.665 7.215 1.00 61.41 C ATOM 0 H ILE B 629 5.315 -6.171 9.250 1.00 24.41 H new ATOM 0 HA ILE B 629 3.566 -8.200 7.997 1.00 43.42 H new ATOM 0 HB ILE B 629 2.723 -6.118 6.837 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.142 -3.985 7.834 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.093 -4.691 9.125 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.288 -5.543 8.750 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.482 -7.302 8.562 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.381 -6.438 9.832 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.561 -3.698 7.399 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.792 -5.461 7.473 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.826 -4.744 6.161 1.00 61.41 H new ATOM 2460 N ALA B 630 6.185 -8.013 6.821 1.00 41.41 N ATOM 2461 CA ALA B 630 7.096 -8.217 5.708 1.00 34.31 C ATOM 2462 C ALA B 630 6.707 -9.494 4.961 1.00 73.25 C ATOM 2463 O ALA B 630 7.505 -10.040 4.201 1.00 11.20 O ATOM 2464 CB ALA B 630 8.536 -8.260 6.228 1.00 15.34 C ATOM 0 H ALA B 630 6.529 -8.348 7.721 1.00 41.41 H new ATOM 0 HA ALA B 630 7.029 -7.390 5.001 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.220 -8.413 5.393 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.772 -7.318 6.723 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.642 -9.080 6.939 1.00 15.34 H new TER 2470 ALA B 630