USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 988 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 541 SER OG : rot 180:sc= 0.429 USER MOD Set 1.2: B 545 LYS NZ :NH3+ -136:sc= 0.629 (180deg=-1.01) USER MOD Set 2.1: A 141 HIS : no HD1:sc= -0.311 K(o=-5.3,f=-2.4) USER MOD Set 2.2: A 145 GLN : amide:sc= -4.94! C(o=-5.3!,f=-2.4!) USER MOD Set 3.1: A 132 SER OG : rot 180:sc= 0.679 USER MOD Set 3.2: A 135 GLN : amide:sc= -0.876 X(o=-0.2,f=-0.17!) USER MOD Set 4.1: A 116 MET CE :methyl 136:sc= -0.109 (180deg=-1.99) USER MOD Set 4.2: A 120 LYS NZ :NH3+ -132:sc= -0.023 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.66) USER MOD Single : A 72 SER OG : rot -24:sc= 0.274 USER MOD Single : A 74 SER OG : rot 24:sc= 0.309 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 77 SER OG : rot -29:sc= 0.169 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= 0.0456 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -14:sc= 0.0469 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0313) USER MOD Single : A 90 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.43) USER MOD Single : A 91 THR OG1 : rot -178:sc= -0.416 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.247) USER MOD Single : A 94 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.5) USER MOD Single : A 97 THR OG1 : rot -95:sc= -1.89 USER MOD Single : A 100 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 104 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 39:sc= 0.126 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -0.593 K(o=-0.59,f=-4.4!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -51:sc= -0.317 USER MOD Single : B 518 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.0049) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 34:sc= 0.0156 USER MOD Single : B 529 SER OG : rot -56:sc= 0.066 USER MOD Single : B 531 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.078) USER MOD Single : B 532 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.1) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.3) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 547 GLN : amide:sc= -0.263 K(o=-0.26,f=-0.95) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 30:sc= -0.764 USER MOD Single : B 558 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 44.213 -0.227 -24.853 1.00 74.20 N ATOM 2 CA MET A 69 43.903 -1.303 -23.918 1.00 31.11 C ATOM 3 C MET A 69 43.493 -0.743 -22.560 1.00 50.54 C ATOM 4 O MET A 69 44.336 -0.500 -21.698 1.00 3.54 O ATOM 5 CB MET A 69 45.110 -2.230 -23.757 1.00 33.12 C ATOM 6 CG MET A 69 45.648 -2.762 -25.075 1.00 34.21 C ATOM 7 SD MET A 69 46.525 -4.326 -24.887 1.00 30.11 S ATOM 8 CE MET A 69 48.203 -3.747 -24.652 1.00 32.55 C ATOM 0 HA MET A 69 43.067 -1.873 -24.323 1.00 31.11 H new ATOM 0 HB2 MET A 69 45.905 -1.692 -23.240 1.00 33.12 H new ATOM 0 HB3 MET A 69 44.830 -3.071 -23.122 1.00 33.12 H new ATOM 0 HG2 MET A 69 44.821 -2.895 -25.773 1.00 34.21 H new ATOM 0 HG3 MET A 69 46.320 -2.024 -25.513 1.00 34.21 H new ATOM 0 HE1 MET A 69 48.868 -4.601 -24.521 1.00 32.55 H new ATOM 0 HE2 MET A 69 48.516 -3.174 -25.525 1.00 32.55 H new ATOM 0 HE3 MET A 69 48.248 -3.113 -23.767 1.00 32.55 H new ATOM 18 N ASP A 70 42.192 -0.539 -22.378 1.00 23.23 N ATOM 19 CA ASP A 70 41.671 -0.007 -21.125 1.00 34.14 C ATOM 20 C ASP A 70 41.981 -0.947 -19.964 1.00 65.45 C ATOM 21 O ASP A 70 42.270 -2.126 -20.168 1.00 24.10 O ATOM 22 CB ASP A 70 40.160 0.213 -21.229 1.00 21.10 C ATOM 23 CG ASP A 70 39.376 -1.074 -21.068 1.00 71.45 C ATOM 24 OD1 ASP A 70 39.026 -1.417 -19.920 1.00 15.14 O ATOM 25 OD2 ASP A 70 39.110 -1.739 -22.092 1.00 53.42 O1- ATOM 0 H ASP A 70 41.480 -0.734 -23.082 1.00 23.23 H new ATOM 0 HA ASP A 70 42.158 0.949 -20.935 1.00 34.14 H new ATOM 0 HB2 ASP A 70 39.846 0.924 -20.465 1.00 21.10 H new ATOM 0 HB3 ASP A 70 39.926 0.659 -22.196 1.00 21.10 H new ATOM 30 N ASN A 71 41.920 -0.417 -18.747 1.00 22.14 N ATOM 31 CA ASN A 71 42.197 -1.209 -17.554 1.00 34.12 C ATOM 32 C ASN A 71 41.063 -1.079 -16.540 1.00 4.12 C ATOM 33 O ASN A 71 41.298 -0.795 -15.365 1.00 65.53 O ATOM 34 CB ASN A 71 43.517 -0.769 -16.919 1.00 71.13 C ATOM 35 CG ASN A 71 43.539 0.713 -16.599 1.00 0.32 C ATOM 36 OD1 ASN A 71 43.607 1.552 -17.498 1.00 3.23 O ATOM 37 ND2 ASN A 71 43.482 1.042 -15.314 1.00 4.42 N ATOM 0 H ASN A 71 41.681 0.557 -18.561 1.00 22.14 H new ATOM 0 HA ASN A 71 42.276 -2.254 -17.852 1.00 34.12 H new ATOM 0 HB2 ASN A 71 43.684 -1.338 -16.004 1.00 71.13 H new ATOM 0 HB3 ASN A 71 44.339 -1.004 -17.596 1.00 71.13 H new ATOM 0 HD21 ASN A 71 43.494 2.024 -15.038 1.00 4.42 H new ATOM 0 HD22 ASN A 71 43.426 0.313 -14.603 1.00 4.42 H new ATOM 44 N SER A 72 39.835 -1.288 -17.003 1.00 3.04 N ATOM 45 CA SER A 72 38.666 -1.191 -16.137 1.00 45.25 C ATOM 46 C SER A 72 37.918 -2.519 -16.085 1.00 31.43 C ATOM 47 O SER A 72 37.080 -2.807 -16.939 1.00 24.42 O ATOM 48 CB SER A 72 37.731 -0.085 -16.632 1.00 33.44 C ATOM 49 OG SER A 72 37.509 -0.190 -18.027 1.00 30.22 O ATOM 0 H SER A 72 39.624 -1.525 -17.972 1.00 3.04 H new ATOM 0 HA SER A 72 39.007 -0.947 -15.131 1.00 45.25 H new ATOM 0 HB2 SER A 72 36.779 -0.146 -16.104 1.00 33.44 H new ATOM 0 HB3 SER A 72 38.162 0.889 -16.402 1.00 33.44 H new ATOM 0 HG SER A 72 38.257 -0.667 -18.442 1.00 30.22 H new ATOM 55 N ALA A 73 38.227 -3.325 -15.074 1.00 32.23 N ATOM 56 CA ALA A 73 37.583 -4.623 -14.907 1.00 1.24 C ATOM 57 C ALA A 73 36.102 -4.463 -14.584 1.00 73.54 C ATOM 58 O ALA A 73 35.738 -3.879 -13.563 1.00 43.12 O ATOM 59 CB ALA A 73 38.280 -5.421 -13.814 1.00 50.03 C ATOM 0 H ALA A 73 38.919 -3.102 -14.358 1.00 32.23 H new ATOM 0 HA ALA A 73 37.666 -5.166 -15.848 1.00 1.24 H new ATOM 0 HB1 ALA A 73 37.789 -6.388 -13.700 1.00 50.03 H new ATOM 0 HB2 ALA A 73 39.325 -5.574 -14.085 1.00 50.03 H new ATOM 0 HB3 ALA A 73 38.226 -4.873 -12.873 1.00 50.03 H new ATOM 65 N SER A 74 35.250 -4.984 -15.461 1.00 65.05 N ATOM 66 CA SER A 74 33.807 -4.895 -15.273 1.00 24.22 C ATOM 67 C SER A 74 33.191 -6.285 -15.136 1.00 51.35 C ATOM 68 O SER A 74 33.353 -7.137 -16.010 1.00 13.12 O ATOM 69 CB SER A 74 33.163 -4.152 -16.444 1.00 11.40 C ATOM 70 OG SER A 74 33.270 -4.898 -17.643 1.00 64.15 O ATOM 0 H SER A 74 35.535 -5.473 -16.310 1.00 65.05 H new ATOM 0 HA SER A 74 33.619 -4.340 -14.354 1.00 24.22 H new ATOM 0 HB2 SER A 74 32.113 -3.961 -16.224 1.00 11.40 H new ATOM 0 HB3 SER A 74 33.644 -3.182 -16.572 1.00 11.40 H new ATOM 0 HG SER A 74 33.377 -5.848 -17.429 1.00 64.15 H new ATOM 76 N LYS A 75 32.482 -6.505 -14.034 1.00 51.20 N ATOM 77 CA LYS A 75 31.838 -7.788 -13.781 1.00 61.13 C ATOM 78 C LYS A 75 30.983 -8.212 -14.971 1.00 14.21 C ATOM 79 O LYS A 75 30.668 -7.401 -15.841 1.00 53.03 O ATOM 80 CB LYS A 75 30.975 -7.710 -12.521 1.00 4.54 C ATOM 81 CG LYS A 75 29.839 -6.707 -12.623 1.00 70.10 C ATOM 82 CD LYS A 75 30.240 -5.351 -12.067 1.00 22.54 C ATOM 83 CE LYS A 75 29.050 -4.624 -11.459 1.00 42.01 C ATOM 84 NZ LYS A 75 29.439 -3.303 -10.891 1.00 3.24 N1+ ATOM 0 H LYS A 75 32.339 -5.810 -13.301 1.00 51.20 H new ATOM 0 HA LYS A 75 32.618 -8.534 -13.633 1.00 61.13 H new ATOM 0 HB2 LYS A 75 30.560 -8.696 -12.313 1.00 4.54 H new ATOM 0 HB3 LYS A 75 31.607 -7.445 -11.674 1.00 4.54 H new ATOM 0 HG2 LYS A 75 29.540 -6.600 -13.666 1.00 70.10 H new ATOM 0 HG3 LYS A 75 28.972 -7.082 -12.080 1.00 70.10 H new ATOM 0 HD2 LYS A 75 31.014 -5.481 -11.310 1.00 22.54 H new ATOM 0 HD3 LYS A 75 30.671 -4.743 -12.863 1.00 22.54 H new ATOM 0 HE2 LYS A 75 28.284 -4.480 -12.221 1.00 42.01 H new ATOM 0 HE3 LYS A 75 28.609 -5.241 -10.676 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 28.601 -2.839 -10.486 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 30.152 -3.442 -10.146 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 29.836 -2.705 -11.643 1.00 3.24 H new ATOM 98 N ASN A 76 30.607 -9.487 -15.001 1.00 3.42 N ATOM 99 CA ASN A 76 29.787 -10.017 -16.083 1.00 15.21 C ATOM 100 C ASN A 76 28.716 -10.961 -15.543 1.00 1.14 C ATOM 101 O ASN A 76 28.843 -11.491 -14.440 1.00 24.43 O ATOM 102 CB ASN A 76 30.661 -10.750 -17.102 1.00 52.35 C ATOM 103 CG ASN A 76 31.223 -9.818 -18.158 1.00 1.44 C ATOM 104 OD1 ASN A 76 30.726 -9.762 -19.282 1.00 51.55 O ATOM 105 ND2 ASN A 76 32.267 -9.079 -17.799 1.00 51.31 N ATOM 0 H ASN A 76 30.858 -10.172 -14.288 1.00 3.42 H new ATOM 0 HA ASN A 76 29.293 -9.179 -16.574 1.00 15.21 H new ATOM 0 HB2 ASN A 76 31.482 -11.244 -16.583 1.00 52.35 H new ATOM 0 HB3 ASN A 76 30.074 -11.531 -17.586 1.00 52.35 H new ATOM 0 HD21 ASN A 76 32.688 -8.433 -18.467 1.00 51.31 H new ATOM 0 HD22 ASN A 76 32.647 -9.157 -16.856 1.00 51.31 H new ATOM 112 N SER A 77 27.663 -11.165 -16.328 1.00 4.44 N ATOM 113 CA SER A 77 26.570 -12.042 -15.927 1.00 12.05 C ATOM 114 C SER A 77 25.754 -12.482 -17.139 1.00 25.02 C ATOM 115 O SER A 77 25.944 -11.976 -18.245 1.00 34.10 O ATOM 116 CB SER A 77 25.663 -11.333 -14.919 1.00 2.00 C ATOM 117 OG SER A 77 26.424 -10.702 -13.904 1.00 22.15 O ATOM 0 H SER A 77 27.544 -10.735 -17.245 1.00 4.44 H new ATOM 0 HA SER A 77 27.000 -12.927 -15.459 1.00 12.05 H new ATOM 0 HB2 SER A 77 25.052 -10.592 -15.434 1.00 2.00 H new ATOM 0 HB3 SER A 77 24.979 -12.054 -14.470 1.00 2.00 H new ATOM 0 HG SER A 77 27.262 -11.193 -13.770 1.00 22.15 H new ATOM 123 N ALA A 78 24.848 -13.429 -16.922 1.00 22.23 N ATOM 124 CA ALA A 78 24.003 -13.938 -17.995 1.00 11.51 C ATOM 125 C ALA A 78 22.643 -13.248 -17.996 1.00 34.52 C ATOM 126 O ALA A 78 21.622 -13.868 -18.295 1.00 71.44 O ATOM 127 CB ALA A 78 23.832 -15.444 -17.864 1.00 23.42 C ATOM 0 H ALA A 78 24.680 -13.859 -16.013 1.00 22.23 H new ATOM 0 HA ALA A 78 24.493 -13.721 -18.944 1.00 11.51 H new ATOM 0 HB1 ALA A 78 23.199 -15.810 -18.672 1.00 23.42 H new ATOM 0 HB2 ALA A 78 24.807 -15.927 -17.920 1.00 23.42 H new ATOM 0 HB3 ALA A 78 23.367 -15.675 -16.906 1.00 23.42 H new ATOM 133 N ILE A 79 22.637 -11.963 -17.658 1.00 74.14 N ATOM 134 CA ILE A 79 21.401 -11.190 -17.621 1.00 71.01 C ATOM 135 C ILE A 79 21.389 -10.120 -18.708 1.00 71.13 C ATOM 136 O ILE A 79 20.330 -9.737 -19.204 1.00 10.44 O ATOM 137 CB ILE A 79 21.201 -10.515 -16.251 1.00 31.22 C ATOM 138 CG1 ILE A 79 19.812 -9.879 -16.170 1.00 14.41 C ATOM 139 CG2 ILE A 79 22.282 -9.472 -16.010 1.00 3.00 C ATOM 140 CD1 ILE A 79 19.788 -8.425 -16.589 1.00 1.13 C ATOM 0 H ILE A 79 23.473 -11.435 -17.406 1.00 74.14 H new ATOM 0 HA ILE A 79 20.585 -11.891 -17.795 1.00 71.01 H new ATOM 0 HB ILE A 79 21.278 -11.275 -15.474 1.00 31.22 H new ATOM 0 HG12 ILE A 79 19.126 -10.442 -16.802 1.00 14.41 H new ATOM 0 HG13 ILE A 79 19.443 -9.960 -15.148 1.00 14.41 H new ATOM 0 HG21 ILE A 79 22.126 -9.004 -15.038 1.00 3.00 H new ATOM 0 HG22 ILE A 79 23.261 -9.951 -16.029 1.00 3.00 H new ATOM 0 HG23 ILE A 79 22.235 -8.712 -16.790 1.00 3.00 H new ATOM 0 HD11 ILE A 79 18.772 -8.039 -16.507 1.00 1.13 H new ATOM 0 HD12 ILE A 79 20.449 -7.849 -15.941 1.00 1.13 H new ATOM 0 HD13 ILE A 79 20.126 -8.338 -17.622 1.00 1.13 H new ATOM 152 N SER A 80 22.575 -9.645 -19.076 1.00 54.20 N ATOM 153 CA SER A 80 22.700 -8.618 -20.104 1.00 1.35 C ATOM 154 C SER A 80 24.139 -8.521 -20.601 1.00 11.25 C ATOM 155 O SER A 80 25.086 -8.631 -19.821 1.00 61.02 O ATOM 156 CB SER A 80 22.244 -7.263 -19.559 1.00 45.00 C ATOM 157 OG SER A 80 22.002 -6.345 -20.612 1.00 4.14 O ATOM 0 H SER A 80 23.462 -9.954 -18.678 1.00 54.20 H new ATOM 0 HA SER A 80 22.062 -8.897 -20.942 1.00 1.35 H new ATOM 0 HB2 SER A 80 21.337 -7.392 -18.969 1.00 45.00 H new ATOM 0 HB3 SER A 80 23.005 -6.862 -18.890 1.00 45.00 H new ATOM 0 HG SER A 80 21.710 -5.488 -20.238 1.00 4.14 H new ATOM 163 N SER A 81 24.296 -8.314 -21.904 1.00 72.10 N ATOM 164 CA SER A 81 25.618 -8.206 -22.508 1.00 3.34 C ATOM 165 C SER A 81 26.064 -6.748 -22.584 1.00 74.11 C ATOM 166 O SER A 81 25.294 -5.836 -22.282 1.00 52.22 O ATOM 167 CB SER A 81 25.616 -8.823 -23.908 1.00 32.25 C ATOM 168 OG SER A 81 24.364 -8.635 -24.546 1.00 4.53 O ATOM 0 H SER A 81 23.523 -8.218 -22.562 1.00 72.10 H new ATOM 0 HA SER A 81 26.322 -8.752 -21.879 1.00 3.34 H new ATOM 0 HB2 SER A 81 26.405 -8.372 -24.509 1.00 32.25 H new ATOM 0 HB3 SER A 81 25.837 -9.888 -23.840 1.00 32.25 H new ATOM 0 HG SER A 81 24.332 -9.169 -25.367 1.00 4.53 H new ATOM 174 N SER A 82 27.312 -6.537 -22.988 1.00 64.12 N ATOM 175 CA SER A 82 27.863 -5.191 -23.100 1.00 73.52 C ATOM 176 C SER A 82 27.433 -4.537 -24.410 1.00 10.43 C ATOM 177 O SER A 82 28.252 -4.309 -25.300 1.00 22.43 O ATOM 178 CB SER A 82 29.389 -5.234 -23.014 1.00 44.04 C ATOM 179 OG SER A 82 29.824 -6.275 -22.157 1.00 54.11 O ATOM 0 H SER A 82 27.961 -7.281 -23.243 1.00 64.12 H new ATOM 0 HA SER A 82 27.477 -4.595 -22.273 1.00 73.52 H new ATOM 0 HB2 SER A 82 29.808 -5.380 -24.010 1.00 44.04 H new ATOM 0 HB3 SER A 82 29.762 -4.278 -22.648 1.00 44.04 H new ATOM 0 HG SER A 82 30.803 -6.281 -22.121 1.00 54.11 H new ATOM 185 N ILE A 83 26.143 -4.236 -24.518 1.00 3.54 N ATOM 186 CA ILE A 83 25.605 -3.606 -25.718 1.00 1.04 C ATOM 187 C ILE A 83 25.650 -2.086 -25.607 1.00 52.44 C ATOM 188 O ILE A 83 25.869 -1.387 -26.597 1.00 74.14 O ATOM 189 CB ILE A 83 24.153 -4.047 -25.982 1.00 20.12 C ATOM 190 CG1 ILE A 83 24.036 -5.570 -25.890 1.00 73.13 C ATOM 191 CG2 ILE A 83 23.690 -3.556 -27.345 1.00 13.24 C ATOM 192 CD1 ILE A 83 24.944 -6.305 -26.850 1.00 71.04 C ATOM 0 H ILE A 83 25.452 -4.418 -23.790 1.00 3.54 H new ATOM 0 HA ILE A 83 26.231 -3.926 -26.551 1.00 1.04 H new ATOM 0 HB ILE A 83 23.510 -3.605 -25.221 1.00 20.12 H new ATOM 0 HG12 ILE A 83 24.267 -5.883 -24.872 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.003 -5.859 -26.086 1.00 73.13 H new ATOM 0 HG21 ILE A 83 22.662 -3.876 -27.517 1.00 13.24 H new ATOM 0 HG22 ILE A 83 23.742 -2.468 -27.377 1.00 13.24 H new ATOM 0 HG23 ILE A 83 24.334 -3.972 -28.120 1.00 13.24 H new ATOM 0 HD11 ILE A 83 24.808 -7.380 -26.729 1.00 71.04 H new ATOM 0 HD12 ILE A 83 24.698 -6.021 -27.873 1.00 71.04 H new ATOM 0 HD13 ILE A 83 25.982 -6.045 -26.641 1.00 71.04 H new ATOM 204 N PHE A 84 25.444 -1.579 -24.396 1.00 22.43 N ATOM 205 CA PHE A 84 25.462 -0.141 -24.155 1.00 52.22 C ATOM 206 C PHE A 84 26.732 0.489 -24.720 1.00 1.23 C ATOM 207 O PHE A 84 26.685 1.544 -25.354 1.00 0.11 O ATOM 208 CB PHE A 84 25.359 0.148 -22.656 1.00 51.20 C ATOM 209 CG PHE A 84 24.107 -0.393 -22.026 1.00 42.14 C ATOM 210 CD1 PHE A 84 24.173 -1.183 -20.890 1.00 24.13 C ATOM 211 CD2 PHE A 84 22.864 -0.111 -22.570 1.00 23.11 C ATOM 212 CE1 PHE A 84 23.023 -1.682 -20.307 1.00 43.41 C ATOM 213 CE2 PHE A 84 21.711 -0.607 -21.992 1.00 3.54 C ATOM 214 CZ PHE A 84 21.791 -1.393 -20.859 1.00 63.45 C ATOM 0 H PHE A 84 25.263 -2.143 -23.566 1.00 22.43 H new ATOM 0 HA PHE A 84 24.603 0.298 -24.662 1.00 52.22 H new ATOM 0 HB2 PHE A 84 26.225 -0.281 -22.151 1.00 51.20 H new ATOM 0 HB3 PHE A 84 25.399 1.226 -22.498 1.00 51.20 H new ATOM 0 HD1 PHE A 84 25.134 -1.412 -20.454 1.00 24.13 H new ATOM 0 HD2 PHE A 84 22.796 0.503 -23.456 1.00 23.11 H new ATOM 0 HE1 PHE A 84 23.088 -2.297 -19.421 1.00 43.41 H new ATOM 0 HE2 PHE A 84 20.748 -0.380 -22.426 1.00 3.54 H new ATOM 0 HZ PHE A 84 20.891 -1.781 -20.405 1.00 63.45 H new ATOM 224 N CYS A 85 27.864 -0.165 -24.484 1.00 41.44 N ATOM 225 CA CYS A 85 29.148 0.332 -24.969 1.00 10.24 C ATOM 226 C CYS A 85 29.289 0.100 -26.469 1.00 23.33 C ATOM 227 O CYS A 85 29.893 0.906 -27.176 1.00 44.32 O ATOM 228 CB CYS A 85 30.296 -0.352 -24.224 1.00 12.32 C ATOM 229 SG CYS A 85 30.293 -2.154 -24.359 1.00 24.32 S ATOM 0 H CYS A 85 27.920 -1.039 -23.961 1.00 41.44 H new ATOM 0 HA CYS A 85 29.190 1.405 -24.781 1.00 10.24 H new ATOM 0 HB2 CYS A 85 31.242 0.029 -24.608 1.00 12.32 H new ATOM 0 HB3 CYS A 85 30.246 -0.077 -23.170 1.00 12.32 H new ATOM 0 HG CYS A 85 29.147 -2.552 -24.825 1.00 24.32 H new ATOM 235 N GLU A 86 28.731 -1.008 -26.947 1.00 41.31 N ATOM 236 CA GLU A 86 28.797 -1.346 -28.364 1.00 23.33 C ATOM 237 C GLU A 86 28.318 -0.181 -29.225 1.00 54.43 C ATOM 238 O GLU A 86 28.747 -0.021 -30.368 1.00 14.41 O ATOM 239 CB GLU A 86 27.956 -2.590 -28.654 1.00 70.34 C ATOM 240 CG GLU A 86 28.479 -3.422 -29.813 1.00 12.31 C ATOM 241 CD GLU A 86 27.559 -4.574 -30.166 1.00 71.01 C ATOM 242 OE1 GLU A 86 26.807 -4.452 -31.156 1.00 12.02 O ATOM 243 OE2 GLU A 86 27.591 -5.598 -29.452 1.00 72.23 O1- ATOM 0 H GLU A 86 28.229 -1.686 -26.374 1.00 41.31 H new ATOM 0 HA GLU A 86 29.837 -1.554 -28.613 1.00 23.33 H new ATOM 0 HB2 GLU A 86 27.921 -3.211 -27.759 1.00 70.34 H new ATOM 0 HB3 GLU A 86 26.932 -2.284 -28.870 1.00 70.34 H new ATOM 0 HG2 GLU A 86 28.606 -2.782 -30.686 1.00 12.31 H new ATOM 0 HG3 GLU A 86 29.464 -3.813 -29.559 1.00 12.31 H new ATOM 250 N LYS A 87 27.424 0.629 -28.668 1.00 3.45 N ATOM 251 CA LYS A 87 26.885 1.780 -29.382 1.00 44.40 C ATOM 252 C LYS A 87 28.007 2.633 -29.965 1.00 54.55 C ATOM 253 O LYS A 87 27.820 3.319 -30.971 1.00 13.23 O ATOM 254 CB LYS A 87 26.020 2.628 -28.446 1.00 41.11 C ATOM 255 CG LYS A 87 24.543 2.274 -28.496 1.00 30.21 C ATOM 256 CD LYS A 87 24.104 1.536 -27.243 1.00 62.43 C ATOM 257 CE LYS A 87 22.972 0.563 -27.537 1.00 44.42 C ATOM 258 NZ LYS A 87 21.637 1.178 -27.298 1.00 70.52 N1+ ATOM 0 H LYS A 87 27.057 0.509 -27.724 1.00 3.45 H new ATOM 0 HA LYS A 87 26.269 1.411 -30.202 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.380 2.508 -27.424 1.00 41.11 H new ATOM 0 HB3 LYS A 87 26.142 3.680 -28.705 1.00 41.11 H new ATOM 0 HG2 LYS A 87 23.953 3.184 -28.609 1.00 30.21 H new ATOM 0 HG3 LYS A 87 24.346 1.656 -29.372 1.00 30.21 H new ATOM 0 HD2 LYS A 87 24.951 0.994 -26.823 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.781 2.255 -26.490 1.00 62.43 H new ATOM 0 HE2 LYS A 87 23.039 0.230 -28.573 1.00 44.42 H new ATOM 0 HE3 LYS A 87 23.082 -0.322 -26.910 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 20.892 0.484 -27.509 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.564 1.473 -26.303 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.522 2.008 -27.914 1.00 70.52 H new ATOM 272 N TYR A 88 29.172 2.586 -29.330 1.00 73.21 N ATOM 273 CA TYR A 88 30.324 3.355 -29.786 1.00 74.10 C ATOM 274 C TYR A 88 30.547 3.166 -31.283 1.00 50.10 C ATOM 275 O TYR A 88 31.021 4.069 -31.972 1.00 0.51 O ATOM 276 CB TYR A 88 31.578 2.939 -29.016 1.00 0.31 C ATOM 277 CG TYR A 88 32.305 1.764 -29.630 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.732 0.498 -29.643 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.564 1.919 -30.197 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.392 -0.579 -30.204 1.00 5.54 C ATOM 281 CE2 TYR A 88 34.230 0.848 -30.760 1.00 45.43 C ATOM 282 CZ TYR A 88 33.641 -0.399 -30.761 1.00 51.51 C ATOM 283 OH TYR A 88 34.303 -1.468 -31.320 1.00 33.11 O ATOM 0 H TYR A 88 29.344 2.023 -28.497 1.00 73.21 H new ATOM 0 HA TYR A 88 30.123 4.410 -29.597 1.00 74.10 H new ATOM 0 HB2 TYR A 88 32.259 3.788 -28.962 1.00 0.31 H new ATOM 0 HB3 TYR A 88 31.299 2.688 -27.993 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.754 0.353 -29.207 1.00 4.10 H new ATOM 0 HD2 TYR A 88 34.030 2.893 -30.197 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.932 -1.556 -30.206 1.00 5.54 H new ATOM 0 HE2 TYR A 88 35.208 0.986 -31.198 1.00 45.43 H new ATOM 0 HH TYR A 88 35.169 -1.170 -31.668 1.00 33.11 H new ATOM 293 N LYS A 89 30.201 1.985 -31.782 1.00 34.53 N ATOM 294 CA LYS A 89 30.360 1.674 -33.198 1.00 32.43 C ATOM 295 C LYS A 89 29.404 2.505 -34.048 1.00 22.43 C ATOM 296 O LYS A 89 29.831 3.255 -34.925 1.00 3.10 O ATOM 297 CB LYS A 89 30.116 0.184 -33.445 1.00 53.34 C ATOM 298 CG LYS A 89 30.869 -0.365 -34.644 1.00 63.43 C ATOM 299 CD LYS A 89 30.027 -0.310 -35.907 1.00 14.45 C ATOM 300 CE LYS A 89 29.040 -1.465 -35.970 1.00 72.22 C ATOM 301 NZ LYS A 89 29.707 -2.745 -36.340 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.808 1.226 -31.226 1.00 34.53 H new ATOM 0 HA LYS A 89 31.382 1.920 -33.486 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.408 -0.376 -32.556 1.00 53.34 H new ATOM 0 HB3 LYS A 89 29.048 0.018 -33.590 1.00 53.34 H new ATOM 0 HG2 LYS A 89 31.785 0.207 -34.792 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.165 -1.396 -34.448 1.00 63.43 H new ATOM 0 HD2 LYS A 89 29.485 0.635 -35.943 1.00 14.45 H new ATOM 0 HD3 LYS A 89 30.678 -0.338 -36.781 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.550 -1.577 -35.003 1.00 72.22 H new ATOM 0 HE3 LYS A 89 28.261 -1.238 -36.698 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 28.986 -3.472 -36.521 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.279 -2.603 -37.197 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 30.322 -3.054 -35.560 1.00 43.33 H new ATOM 315 N GLN A 90 28.109 2.367 -33.780 1.00 2.13 N ATOM 316 CA GLN A 90 27.094 3.106 -34.521 1.00 14.13 C ATOM 317 C GLN A 90 27.347 4.608 -34.441 1.00 2.13 C ATOM 318 O GLN A 90 27.339 5.306 -35.455 1.00 41.43 O ATOM 319 CB GLN A 90 25.700 2.783 -33.978 1.00 44.13 C ATOM 320 CG GLN A 90 24.981 1.696 -34.761 1.00 72.41 C ATOM 321 CD GLN A 90 24.841 2.031 -36.232 1.00 65.22 C ATOM 322 OE1 GLN A 90 25.539 1.470 -37.078 1.00 14.22 O ATOM 323 NE2 GLN A 90 23.935 2.950 -36.547 1.00 61.02 N ATOM 0 H GLN A 90 27.739 1.751 -33.056 1.00 2.13 H new ATOM 0 HA GLN A 90 27.150 2.801 -35.566 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.787 2.472 -32.937 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.095 3.689 -33.991 1.00 44.13 H new ATOM 0 HG2 GLN A 90 25.526 0.758 -34.656 1.00 72.41 H new ATOM 0 HG3 GLN A 90 23.991 1.539 -34.332 1.00 72.41 H new ATOM 0 HE21 GLN A 90 23.378 3.390 -35.814 1.00 61.02 H new ATOM 0 HE22 GLN A 90 23.796 3.216 -37.522 1.00 61.02 H new ATOM 332 N THR A 91 27.572 5.102 -33.227 1.00 22.11 N ATOM 333 CA THR A 91 27.826 6.521 -33.013 1.00 23.40 C ATOM 334 C THR A 91 29.038 6.988 -33.812 1.00 53.31 C ATOM 335 O THR A 91 28.958 7.952 -34.575 1.00 13.14 O ATOM 336 CB THR A 91 28.057 6.832 -31.522 1.00 43.34 C ATOM 337 OG1 THR A 91 29.237 6.166 -31.060 1.00 21.23 O ATOM 338 CG2 THR A 91 26.862 6.399 -30.688 1.00 21.32 C ATOM 0 H THR A 91 27.583 4.539 -32.376 1.00 22.11 H new ATOM 0 HA THR A 91 26.940 7.056 -33.355 1.00 23.40 H new ATOM 0 HB THR A 91 28.183 7.909 -31.413 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.360 6.344 -30.104 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.048 6.629 -29.639 1.00 21.32 H new ATOM 0 HG22 THR A 91 25.972 6.931 -31.024 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.708 5.326 -30.803 1.00 21.32 H new ATOM 346 N LYS A 92 30.160 6.300 -33.634 1.00 31.12 N ATOM 347 CA LYS A 92 31.389 6.643 -34.339 1.00 63.03 C ATOM 348 C LYS A 92 31.141 6.760 -35.840 1.00 75.23 C ATOM 349 O LYS A 92 31.534 7.742 -36.467 1.00 51.33 O ATOM 350 CB LYS A 92 32.466 5.590 -34.071 1.00 4.45 C ATOM 351 CG LYS A 92 33.836 5.971 -34.605 1.00 1.42 C ATOM 352 CD LYS A 92 34.900 5.885 -33.524 1.00 63.25 C ATOM 353 CE LYS A 92 34.637 6.878 -32.402 1.00 65.32 C ATOM 354 NZ LYS A 92 35.902 7.380 -31.798 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.244 5.500 -33.006 1.00 31.12 H new ATOM 0 HA LYS A 92 31.733 7.609 -33.968 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.538 5.422 -32.996 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.159 4.646 -34.522 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.102 5.312 -35.431 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.803 6.985 -35.004 1.00 1.42 H new ATOM 0 HD2 LYS A 92 34.926 4.874 -33.118 1.00 63.25 H new ATOM 0 HD3 LYS A 92 35.880 6.079 -33.960 1.00 63.25 H new ATOM 0 HE2 LYS A 92 34.061 7.718 -32.789 1.00 65.32 H new ATOM 0 HE3 LYS A 92 34.030 6.403 -31.631 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 35.724 8.289 -31.325 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 36.252 6.691 -31.102 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.615 7.511 -32.544 1.00 44.20 H new ATOM 368 N GLU A 93 30.485 5.752 -36.407 1.00 42.21 N ATOM 369 CA GLU A 93 30.184 5.744 -37.834 1.00 71.42 C ATOM 370 C GLU A 93 29.360 6.968 -38.223 1.00 60.11 C ATOM 371 O GLU A 93 29.673 7.656 -39.194 1.00 73.42 O ATOM 372 CB GLU A 93 29.431 4.467 -38.211 1.00 74.41 C ATOM 373 CG GLU A 93 30.120 3.651 -39.292 1.00 73.24 C ATOM 374 CD GLU A 93 30.960 2.523 -38.725 1.00 1.03 C ATOM 375 OE1 GLU A 93 30.492 1.849 -37.783 1.00 63.11 O ATOM 376 OE2 GLU A 93 32.087 2.316 -39.223 1.00 60.10 O1- ATOM 0 H GLU A 93 30.152 4.931 -35.901 1.00 42.21 H new ATOM 0 HA GLU A 93 31.127 5.775 -38.379 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.312 3.849 -37.321 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.430 4.732 -38.550 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.368 3.237 -39.964 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.754 4.307 -39.888 1.00 73.24 H new ATOM 383 N GLN A 94 28.306 7.231 -37.457 1.00 40.54 N ATOM 384 CA GLN A 94 27.436 8.372 -37.724 1.00 30.21 C ATOM 385 C GLN A 94 28.231 9.673 -37.731 1.00 52.42 C ATOM 386 O GLN A 94 27.938 10.586 -38.502 1.00 15.43 O ATOM 387 CB GLN A 94 26.323 8.446 -36.676 1.00 23.31 C ATOM 388 CG GLN A 94 25.128 7.561 -36.995 1.00 1.33 C ATOM 389 CD GLN A 94 23.971 7.779 -36.040 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.177 8.705 -36.209 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.869 6.923 -35.030 1.00 14.24 N ATOM 0 H GLN A 94 28.034 6.672 -36.649 1.00 40.54 H new ATOM 0 HA GLN A 94 26.990 8.235 -38.709 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.729 8.159 -35.706 1.00 23.31 H new ATOM 0 HB3 GLN A 94 25.986 9.479 -36.588 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.796 7.759 -38.014 1.00 1.33 H new ATOM 0 HG3 GLN A 94 25.434 6.516 -36.957 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.550 6.170 -34.929 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.110 7.018 -34.355 1.00 14.24 H new ATOM 400 N ALA A 95 29.238 9.750 -36.867 1.00 25.00 N ATOM 401 CA ALA A 95 30.076 10.939 -36.775 1.00 45.15 C ATOM 402 C ALA A 95 30.937 11.102 -38.024 1.00 70.10 C ATOM 403 O ALA A 95 30.832 12.101 -38.737 1.00 11.14 O ATOM 404 CB ALA A 95 30.953 10.873 -35.533 1.00 72.43 C ATOM 0 H ALA A 95 29.493 9.003 -36.221 1.00 25.00 H new ATOM 0 HA ALA A 95 29.423 11.808 -36.699 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.573 11.768 -35.478 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.323 10.813 -34.646 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.592 9.991 -35.585 1.00 72.43 H new ATOM 410 N LEU A 96 31.786 10.115 -38.284 1.00 21.34 N ATOM 411 CA LEU A 96 32.666 10.149 -39.447 1.00 71.41 C ATOM 412 C LEU A 96 31.863 10.323 -40.732 1.00 65.14 C ATOM 413 O LEU A 96 32.291 11.017 -41.655 1.00 60.24 O ATOM 414 CB LEU A 96 33.496 8.865 -39.521 1.00 41.41 C ATOM 415 CG LEU A 96 32.723 7.556 -39.368 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.230 7.065 -40.720 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.590 6.500 -38.699 1.00 62.41 C ATOM 0 H LEU A 96 31.884 9.281 -37.705 1.00 21.34 H new ATOM 0 HA LEU A 96 33.336 11.002 -39.340 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.015 8.847 -40.479 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.260 8.905 -38.745 1.00 41.41 H new ATOM 0 HG LEU A 96 31.856 7.741 -38.734 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.682 6.132 -40.590 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.572 7.814 -41.161 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.082 6.897 -41.379 1.00 0.51 H new ATOM 0 HD21 LEU A 96 33.023 5.574 -38.598 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.476 6.318 -39.307 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.892 6.850 -37.712 1.00 62.41 H new ATOM 429 N THR A 97 30.696 9.689 -40.785 1.00 53.12 N ATOM 430 CA THR A 97 29.832 9.774 -41.956 1.00 4.23 C ATOM 431 C THR A 97 29.352 11.204 -42.182 1.00 42.31 C ATOM 432 O THR A 97 29.422 11.723 -43.296 1.00 43.35 O ATOM 433 CB THR A 97 28.608 8.850 -41.819 1.00 75.23 C ATOM 434 OG1 THR A 97 27.994 9.036 -40.539 1.00 52.14 O ATOM 435 CG2 THR A 97 29.008 7.392 -41.988 1.00 3.45 C ATOM 0 H THR A 97 30.327 9.111 -40.030 1.00 53.12 H new ATOM 0 HA THR A 97 30.426 9.453 -42.811 1.00 4.23 H new ATOM 0 HB THR A 97 27.897 9.108 -42.604 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.333 8.363 -39.913 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.127 6.759 -41.887 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.448 7.247 -42.975 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.737 7.124 -41.223 1.00 3.45 H new ATOM 443 N PHE A 98 28.867 11.836 -41.118 1.00 64.32 N ATOM 444 CA PHE A 98 28.375 13.206 -41.202 1.00 20.12 C ATOM 445 C PHE A 98 29.530 14.189 -41.372 1.00 70.44 C ATOM 446 O PHE A 98 29.363 15.267 -41.944 1.00 24.53 O ATOM 447 CB PHE A 98 27.571 13.559 -39.948 1.00 4.32 C ATOM 448 CG PHE A 98 28.163 14.689 -39.155 1.00 40.02 C ATOM 449 CD1 PHE A 98 27.887 16.005 -39.487 1.00 53.24 C ATOM 450 CD2 PHE A 98 28.996 14.435 -38.078 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.429 17.048 -38.760 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.542 15.473 -37.346 1.00 2.32 C ATOM 453 CZ PHE A 98 29.259 16.780 -37.689 1.00 14.52 C ATOM 0 H PHE A 98 28.804 11.421 -40.188 1.00 64.32 H new ATOM 0 HA PHE A 98 27.726 13.280 -42.075 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.555 13.824 -40.240 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.500 12.677 -39.311 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.240 16.219 -40.325 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.222 13.414 -37.807 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.204 18.070 -39.029 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.189 15.262 -36.507 1.00 2.32 H new ATOM 0 HZ PHE A 98 29.686 17.592 -37.120 1.00 14.52 H new ATOM 463 N PHE A 99 30.701 13.809 -40.872 1.00 61.53 N ATOM 464 CA PHE A 99 31.884 14.656 -40.967 1.00 61.41 C ATOM 465 C PHE A 99 32.498 14.579 -42.362 1.00 60.30 C ATOM 466 O PHE A 99 33.001 15.573 -42.884 1.00 64.11 O ATOM 467 CB PHE A 99 32.919 14.242 -39.919 1.00 43.00 C ATOM 468 CG PHE A 99 34.190 15.040 -39.984 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.341 14.494 -40.529 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.233 16.339 -39.500 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.511 15.226 -40.588 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.401 17.076 -39.557 1.00 44.24 C ATOM 473 CZ PHE A 99 36.542 16.519 -40.103 1.00 54.34 C ATOM 0 H PHE A 99 30.856 12.920 -40.397 1.00 61.53 H new ATOM 0 HA PHE A 99 31.579 15.686 -40.780 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.482 14.350 -38.926 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.155 13.186 -40.051 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.323 13.484 -40.912 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.344 16.780 -39.074 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.402 14.787 -41.013 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.422 18.086 -39.175 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.455 17.093 -40.150 1.00 54.34 H new ATOM 483 N GLN A 100 32.450 13.392 -42.959 1.00 31.14 N ATOM 484 CA GLN A 100 33.002 13.185 -44.292 1.00 2.22 C ATOM 485 C GLN A 100 32.002 13.601 -45.365 1.00 64.05 C ATOM 486 O GLN A 100 32.374 14.198 -46.375 1.00 14.00 O ATOM 487 CB GLN A 100 33.394 11.719 -44.483 1.00 53.03 C ATOM 488 CG GLN A 100 34.699 11.344 -43.799 1.00 64.35 C ATOM 489 CD GLN A 100 34.955 9.849 -43.810 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.933 9.380 -44.392 1.00 24.00 O ATOM 491 NE2 GLN A 100 34.075 9.092 -43.165 1.00 14.41 N ATOM 0 H GLN A 100 32.035 12.560 -42.540 1.00 31.14 H new ATOM 0 HA GLN A 100 33.892 13.807 -44.390 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.596 11.085 -44.097 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.479 11.510 -45.549 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.525 11.854 -44.295 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.679 11.698 -42.768 1.00 64.35 H new ATOM 0 HE21 GLN A 100 33.278 9.523 -42.696 1.00 14.41 H new ATOM 0 HE22 GLN A 100 34.196 8.080 -43.139 1.00 14.41 H new ATOM 500 N GLU A 101 30.732 13.280 -45.141 1.00 35.51 N ATOM 501 CA GLU A 101 29.678 13.618 -46.090 1.00 4.42 C ATOM 502 C GLU A 101 29.406 15.120 -46.086 1.00 73.11 C ATOM 503 O GLU A 101 29.145 15.718 -47.130 1.00 13.41 O ATOM 504 CB GLU A 101 28.396 12.855 -45.757 1.00 74.32 C ATOM 505 CG GLU A 101 27.283 13.063 -46.770 1.00 62.12 C ATOM 506 CD GLU A 101 27.498 12.270 -48.044 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.027 11.142 -47.960 1.00 22.34 O ATOM 508 OE2 GLU A 101 27.137 12.778 -49.127 1.00 61.22 O1- ATOM 0 H GLU A 101 30.408 12.786 -44.310 1.00 35.51 H new ATOM 0 HA GLU A 101 30.014 13.329 -47.086 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.623 11.791 -45.693 1.00 74.32 H new ATOM 0 HB3 GLU A 101 28.043 13.166 -44.774 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.332 12.775 -46.323 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.212 14.123 -47.014 1.00 62.12 H new ATOM 515 N HIS A 102 29.467 15.723 -44.903 1.00 15.43 N ATOM 516 CA HIS A 102 29.226 17.156 -44.761 1.00 21.40 C ATOM 517 C HIS A 102 30.285 17.800 -43.871 1.00 72.54 C ATOM 518 O HIS A 102 30.018 18.199 -42.737 1.00 40.35 O ATOM 519 CB HIS A 102 27.834 17.404 -44.181 1.00 2.24 C ATOM 520 CG HIS A 102 26.745 17.388 -45.208 1.00 13.40 C ATOM 521 ND1 HIS A 102 25.741 16.443 -45.227 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.504 18.211 -46.256 1.00 34.24 C ATOM 523 CE1 HIS A 102 24.931 16.683 -46.242 1.00 44.23 C ATOM 524 NE2 HIS A 102 25.371 17.752 -46.882 1.00 62.12 N ATOM 0 H HIS A 102 29.681 15.243 -44.029 1.00 15.43 H new ATOM 0 HA HIS A 102 29.285 17.610 -45.750 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.623 16.645 -43.428 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.828 18.368 -43.672 1.00 2.24 H new ATOM 0 HD2 HIS A 102 27.093 19.069 -46.546 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.058 16.104 -46.504 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.939 18.169 -47.707 1.00 62.12 H new ATOM 533 N PRO A 103 31.516 17.901 -44.393 1.00 40.25 N ATOM 534 CA PRO A 103 32.639 18.495 -43.663 1.00 34.11 C ATOM 535 C PRO A 103 32.483 20.002 -43.484 1.00 22.13 C ATOM 536 O PRO A 103 33.026 20.787 -44.262 1.00 74.22 O ATOM 537 CB PRO A 103 33.846 18.183 -44.552 1.00 54.42 C ATOM 538 CG PRO A 103 33.278 18.034 -45.921 1.00 30.51 C ATOM 539 CD PRO A 103 31.906 17.445 -45.738 1.00 20.03 C ATOM 0 HA PRO A 103 32.724 18.097 -42.652 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.584 18.985 -44.514 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.350 17.271 -44.231 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.225 18.997 -46.428 1.00 30.51 H new ATOM 0 HG3 PRO A 103 33.903 17.385 -46.534 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.212 17.800 -46.500 1.00 20.03 H new ATOM 0 HD3 PRO A 103 31.924 16.357 -45.804 1.00 20.03 H new ATOM 547 N GLN A 104 31.741 20.397 -42.455 1.00 53.52 N ATOM 548 CA GLN A 104 31.514 21.811 -42.177 1.00 32.12 C ATOM 549 C GLN A 104 32.832 22.531 -41.913 1.00 3.31 C ATOM 550 O GLN A 104 33.020 23.674 -42.332 1.00 4.35 O ATOM 551 CB GLN A 104 30.582 21.972 -40.975 1.00 52.22 C ATOM 552 CG GLN A 104 29.330 21.113 -41.056 1.00 72.42 C ATOM 553 CD GLN A 104 28.056 21.934 -41.033 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.115 21.621 -40.303 1.00 50.22 O ATOM 555 NE2 GLN A 104 28.019 22.993 -41.833 1.00 43.34 N ATOM 0 H GLN A 104 31.287 19.760 -41.801 1.00 53.52 H new ATOM 0 HA GLN A 104 31.046 22.258 -43.054 1.00 32.12 H new ATOM 0 HB2 GLN A 104 31.128 21.719 -40.066 1.00 52.22 H new ATOM 0 HB3 GLN A 104 30.290 23.019 -40.890 1.00 52.22 H new ATOM 0 HG2 GLN A 104 29.359 20.520 -41.970 1.00 72.42 H new ATOM 0 HG3 GLN A 104 29.321 20.412 -40.222 1.00 72.42 H new ATOM 0 HE21 GLN A 104 28.822 23.216 -42.422 1.00 43.34 H new ATOM 0 HE22 GLN A 104 27.188 23.584 -41.859 1.00 43.34 H new ATOM 564 N TYR A 105 33.741 21.857 -41.217 1.00 14.32 N ATOM 565 CA TYR A 105 35.040 22.435 -40.895 1.00 65.43 C ATOM 566 C TYR A 105 35.807 22.793 -42.164 1.00 72.42 C ATOM 567 O TYR A 105 36.570 23.758 -42.190 1.00 15.51 O ATOM 568 CB TYR A 105 35.860 21.458 -40.050 1.00 13.44 C ATOM 569 CG TYR A 105 37.092 22.079 -39.432 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.311 21.414 -39.447 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.037 23.332 -38.832 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.440 21.977 -38.882 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.160 23.903 -38.266 1.00 62.22 C ATOM 574 CZ TYR A 105 39.359 23.222 -38.294 1.00 63.32 C ATOM 575 OH TYR A 105 40.480 23.787 -37.731 1.00 2.35 O ATOM 0 H TYR A 105 33.602 20.910 -40.865 1.00 14.32 H new ATOM 0 HA TYR A 105 34.872 23.348 -40.324 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.228 21.058 -39.257 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.161 20.616 -40.673 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.378 20.440 -39.908 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.100 23.868 -38.808 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.380 21.445 -38.901 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.100 24.877 -37.804 1.00 62.22 H new ATOM 0 HH TYR A 105 40.253 24.666 -37.361 1.00 2.35 H new ATOM 585 N MET A 106 35.596 22.008 -43.217 1.00 2.13 N ATOM 586 CA MET A 106 36.265 22.243 -44.491 1.00 12.33 C ATOM 587 C MET A 106 35.652 23.439 -45.215 1.00 34.43 C ATOM 588 O MET A 106 36.298 24.066 -46.053 1.00 14.31 O ATOM 589 CB MET A 106 36.178 20.998 -45.374 1.00 2.20 C ATOM 590 CG MET A 106 37.003 19.829 -44.860 1.00 33.23 C ATOM 591 SD MET A 106 37.008 18.429 -45.996 1.00 45.54 S ATOM 592 CE MET A 106 38.708 17.885 -45.855 1.00 62.30 C ATOM 0 H MET A 106 34.967 21.205 -43.212 1.00 2.13 H new ATOM 0 HA MET A 106 37.313 22.462 -44.288 1.00 12.33 H new ATOM 0 HB2 MET A 106 35.135 20.690 -45.452 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.511 21.252 -46.380 1.00 2.20 H new ATOM 0 HG2 MET A 106 38.028 20.159 -44.692 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.609 19.508 -43.896 1.00 33.23 H new ATOM 0 HE1 MET A 106 38.869 17.022 -46.501 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.375 18.693 -46.156 1.00 62.30 H new ATOM 0 HE3 MET A 106 38.917 17.608 -44.822 1.00 62.30 H new ATOM 602 N ARG A 107 34.402 23.747 -44.884 1.00 64.32 N ATOM 603 CA ARG A 107 33.702 24.865 -45.505 1.00 35.05 C ATOM 604 C ARG A 107 33.958 26.160 -44.737 1.00 22.20 C ATOM 605 O ARG A 107 34.241 27.199 -45.332 1.00 15.10 O ATOM 606 CB ARG A 107 32.199 24.584 -45.563 1.00 40.51 C ATOM 607 CG ARG A 107 31.858 23.207 -46.110 1.00 44.25 C ATOM 608 CD ARG A 107 30.520 23.210 -46.832 1.00 14.22 C ATOM 609 NE ARG A 107 30.276 21.956 -47.538 1.00 62.33 N ATOM 610 CZ ARG A 107 30.879 21.621 -48.673 1.00 43.41 C ATOM 611 NH1 ARG A 107 31.759 22.444 -49.228 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 30.605 20.461 -49.255 1.00 71.14 N ATOM 0 H ARG A 107 33.854 23.239 -44.190 1.00 64.32 H new ATOM 0 HA ARG A 107 34.083 24.982 -46.520 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.781 24.682 -44.561 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.720 25.341 -46.184 1.00 40.51 H new ATOM 0 HG2 ARG A 107 32.641 22.882 -46.795 1.00 44.25 H new ATOM 0 HG3 ARG A 107 31.830 22.486 -45.293 1.00 44.25 H new ATOM 0 HD2 ARG A 107 29.720 23.382 -46.112 1.00 14.22 H new ATOM 0 HD3 ARG A 107 30.493 24.037 -47.542 1.00 14.22 H new ATOM 0 HE ARG A 107 29.605 21.300 -47.137 1.00 62.33 H new ATOM 0 HH11 ARG A 107 31.974 23.336 -48.783 1.00 11.24 H new ATOM 0 HH12 ARG A 107 32.221 22.184 -50.100 1.00 11.24 H new ATOM 0 HH21 ARG A 107 29.930 19.824 -48.831 1.00 71.14 H new ATOM 0 HH22 ARG A 107 31.069 20.206 -50.127 1.00 71.14 H new ATOM 626 N SER A 108 33.857 26.087 -43.415 1.00 32.45 N ATOM 627 CA SER A 108 34.074 27.254 -42.566 1.00 62.54 C ATOM 628 C SER A 108 34.481 26.833 -41.157 1.00 72.04 C ATOM 629 O SER A 108 33.720 26.172 -40.449 1.00 3.11 O ATOM 630 CB SER A 108 32.808 28.111 -42.509 1.00 72.53 C ATOM 631 OG SER A 108 32.879 29.187 -43.428 1.00 0.01 O ATOM 0 H SER A 108 33.626 25.233 -42.907 1.00 32.45 H new ATOM 0 HA SER A 108 34.884 27.842 -42.998 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.937 27.494 -42.733 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.673 28.499 -41.499 1.00 72.53 H new ATOM 0 HG SER A 108 33.311 28.884 -44.254 1.00 0.01 H new ATOM 637 N LYS A 109 35.687 27.220 -40.756 1.00 71.21 N ATOM 638 CA LYS A 109 36.197 26.885 -39.432 1.00 31.02 C ATOM 639 C LYS A 109 35.198 27.278 -38.349 1.00 3.25 C ATOM 640 O LYS A 109 35.061 26.588 -37.339 1.00 50.22 O ATOM 641 CB LYS A 109 37.535 27.587 -39.187 1.00 21.34 C ATOM 642 CG LYS A 109 37.426 29.100 -39.122 1.00 52.33 C ATOM 643 CD LYS A 109 38.782 29.749 -38.905 1.00 1.02 C ATOM 644 CE LYS A 109 39.604 29.764 -40.185 1.00 51.12 C ATOM 645 NZ LYS A 109 39.232 30.903 -41.070 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.330 27.766 -41.329 1.00 71.21 H new ATOM 0 HA LYS A 109 36.346 25.806 -39.389 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.962 27.222 -38.253 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.229 27.315 -39.982 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.987 29.474 -40.047 1.00 52.33 H new ATOM 0 HG3 LYS A 109 36.753 29.383 -38.313 1.00 52.33 H new ATOM 0 HD2 LYS A 109 38.645 30.769 -38.547 1.00 1.02 H new ATOM 0 HD3 LYS A 109 39.325 29.209 -38.129 1.00 1.02 H new ATOM 0 HE2 LYS A 109 40.663 29.829 -39.936 1.00 51.12 H new ATOM 0 HE3 LYS A 109 39.459 28.826 -40.721 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 39.814 30.878 -41.931 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 38.228 30.828 -41.329 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 39.394 31.800 -40.569 1.00 73.22 H new ATOM 659 N GLU A 110 34.504 28.391 -38.566 1.00 44.12 N ATOM 660 CA GLU A 110 33.517 28.875 -37.607 1.00 65.03 C ATOM 661 C GLU A 110 32.306 27.947 -37.558 1.00 4.22 C ATOM 662 O GLU A 110 31.778 27.654 -36.485 1.00 42.42 O ATOM 663 CB GLU A 110 33.074 30.293 -37.970 1.00 51.22 C ATOM 664 CG GLU A 110 32.477 30.407 -39.362 1.00 52.11 C ATOM 665 CD GLU A 110 32.436 31.837 -39.864 1.00 73.11 C ATOM 666 OE1 GLU A 110 32.218 32.033 -41.078 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.620 32.760 -39.044 1.00 64.00 O1- ATOM 0 H GLU A 110 34.607 28.974 -39.397 1.00 44.12 H new ATOM 0 HA GLU A 110 33.982 28.889 -36.621 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.339 30.633 -37.240 1.00 51.22 H new ATOM 0 HB3 GLU A 110 33.931 30.962 -37.896 1.00 51.22 H new ATOM 0 HG2 GLU A 110 33.060 29.800 -40.054 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.466 30.000 -39.354 1.00 52.11 H new ATOM 674 N ASP A 111 31.871 27.491 -38.728 1.00 31.12 N ATOM 675 CA ASP A 111 30.722 26.597 -38.820 1.00 2.31 C ATOM 676 C ASP A 111 30.897 25.391 -37.902 1.00 54.23 C ATOM 677 O ASP A 111 30.080 25.153 -37.013 1.00 72.33 O ATOM 678 CB ASP A 111 30.526 26.132 -40.263 1.00 61.15 C ATOM 679 CG ASP A 111 30.037 27.244 -41.169 1.00 72.04 C ATOM 680 OD1 ASP A 111 29.634 26.944 -42.313 1.00 62.34 O ATOM 681 OD2 ASP A 111 30.057 28.415 -40.735 1.00 75.41 O1- ATOM 0 H ASP A 111 32.296 27.725 -39.625 1.00 31.12 H new ATOM 0 HA ASP A 111 29.837 27.148 -38.501 1.00 2.31 H new ATOM 0 HB2 ASP A 111 31.469 25.743 -40.647 1.00 61.15 H new ATOM 0 HB3 ASP A 111 29.810 25.310 -40.283 1.00 61.15 H new ATOM 686 N GLU A 112 31.967 24.635 -38.126 1.00 32.13 N ATOM 687 CA GLU A 112 32.247 23.453 -37.319 1.00 62.34 C ATOM 688 C GLU A 112 32.291 23.804 -35.835 1.00 34.15 C ATOM 689 O GLU A 112 31.664 23.139 -35.011 1.00 35.11 O ATOM 690 CB GLU A 112 33.574 22.820 -37.744 1.00 32.10 C ATOM 691 CG GLU A 112 33.920 21.556 -36.975 1.00 0.21 C ATOM 692 CD GLU A 112 35.407 21.422 -36.713 1.00 23.14 C ATOM 693 OE1 GLU A 112 35.999 22.371 -36.156 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.980 20.369 -37.064 1.00 14.24 O1- ATOM 0 H GLU A 112 32.653 24.819 -38.858 1.00 32.13 H new ATOM 0 HA GLU A 112 31.442 22.736 -37.481 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.532 22.588 -38.808 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.374 23.548 -37.608 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.386 21.555 -36.025 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.574 20.688 -37.536 1.00 0.21 H new ATOM 701 N GLU A 113 33.037 24.853 -35.504 1.00 34.35 N ATOM 702 CA GLU A 113 33.164 25.292 -34.119 1.00 1.04 C ATOM 703 C GLU A 113 31.791 25.502 -33.486 1.00 62.52 C ATOM 704 O GLU A 113 31.452 24.863 -32.490 1.00 62.44 O ATOM 705 CB GLU A 113 33.975 26.587 -34.043 1.00 30.23 C ATOM 706 CG GLU A 113 34.101 27.146 -32.636 1.00 33.05 C ATOM 707 CD GLU A 113 35.394 27.908 -32.424 1.00 2.32 C ATOM 708 OE1 GLU A 113 36.455 27.260 -32.322 1.00 5.24 O ATOM 709 OE2 GLU A 113 35.344 29.155 -32.359 1.00 53.21 O1- ATOM 0 H GLU A 113 33.562 25.414 -36.175 1.00 34.35 H new ATOM 0 HA GLU A 113 33.685 24.512 -33.565 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.972 26.405 -34.443 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.507 27.336 -34.682 1.00 30.23 H new ATOM 0 HG2 GLU A 113 33.257 27.806 -32.435 1.00 33.05 H new ATOM 0 HG3 GLU A 113 34.044 26.328 -31.918 1.00 33.05 H new ATOM 716 N GLN A 114 31.008 26.402 -34.071 1.00 21.15 N ATOM 717 CA GLN A 114 29.673 26.697 -33.564 1.00 15.15 C ATOM 718 C GLN A 114 28.862 25.417 -33.389 1.00 12.24 C ATOM 719 O GLN A 114 28.157 25.248 -32.393 1.00 54.31 O ATOM 720 CB GLN A 114 28.944 27.651 -34.511 1.00 72.44 C ATOM 721 CG GLN A 114 29.555 29.041 -34.565 1.00 22.33 C ATOM 722 CD GLN A 114 29.834 29.610 -33.187 1.00 62.33 C ATOM 723 OE1 GLN A 114 28.924 30.064 -32.495 1.00 32.25 O ATOM 724 NE2 GLN A 114 31.099 29.586 -32.782 1.00 40.41 N ATOM 0 H GLN A 114 31.275 26.939 -34.896 1.00 21.15 H new ATOM 0 HA GLN A 114 29.779 27.174 -32.590 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.944 27.224 -35.514 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.903 27.733 -34.200 1.00 72.44 H new ATOM 0 HG2 GLN A 114 30.484 29.003 -35.133 1.00 22.33 H new ATOM 0 HG3 GLN A 114 28.881 29.710 -35.100 1.00 22.33 H new ATOM 0 HE21 GLN A 114 31.822 29.200 -33.389 1.00 40.41 H new ATOM 0 HE22 GLN A 114 31.348 29.954 -31.864 1.00 40.41 H new ATOM 733 N LEU A 115 28.967 24.518 -34.361 1.00 24.11 N ATOM 734 CA LEU A 115 28.244 23.253 -34.314 1.00 72.35 C ATOM 735 C LEU A 115 28.705 22.404 -33.133 1.00 40.11 C ATOM 736 O LEU A 115 27.897 21.754 -32.471 1.00 41.13 O ATOM 737 CB LEU A 115 28.442 22.480 -35.620 1.00 4.21 C ATOM 738 CG LEU A 115 27.213 21.749 -36.161 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.533 21.075 -37.486 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.712 20.728 -35.150 1.00 4.03 C ATOM 0 H LEU A 115 29.546 24.642 -35.191 1.00 24.11 H new ATOM 0 HA LEU A 115 27.184 23.474 -34.187 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.790 23.177 -36.382 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.237 21.750 -35.469 1.00 4.21 H new ATOM 0 HG LEU A 115 26.424 22.482 -36.330 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.646 20.560 -37.856 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.844 21.827 -38.211 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.338 20.354 -37.343 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.837 20.217 -35.552 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.497 19.999 -34.949 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.442 21.235 -34.224 1.00 4.03 H new ATOM 752 N MET A 116 30.008 22.419 -32.875 1.00 70.42 N ATOM 753 CA MET A 116 30.576 21.653 -31.771 1.00 64.52 C ATOM 754 C MET A 116 30.053 22.160 -30.431 1.00 75.03 C ATOM 755 O MET A 116 29.414 21.420 -29.681 1.00 41.14 O ATOM 756 CB MET A 116 32.104 21.734 -31.798 1.00 43.44 C ATOM 757 CG MET A 116 32.776 20.899 -30.721 1.00 45.44 C ATOM 758 SD MET A 116 34.342 21.606 -30.172 1.00 64.42 S ATOM 759 CE MET A 116 34.833 20.413 -28.929 1.00 64.32 C ATOM 0 H MET A 116 30.690 22.952 -33.414 1.00 70.42 H new ATOM 0 HA MET A 116 30.272 20.613 -31.890 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.460 21.406 -32.775 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.407 22.775 -31.681 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.105 20.805 -29.867 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.950 19.893 -31.102 1.00 45.44 H new ATOM 0 HE1 MET A 116 35.892 20.183 -29.044 1.00 64.32 H new ATOM 0 HE2 MET A 116 34.658 20.828 -27.937 1.00 64.32 H new ATOM 0 HE3 MET A 116 34.248 19.501 -29.049 1.00 64.32 H new ATOM 769 N THR A 117 30.326 23.427 -30.135 1.00 23.24 N ATOM 770 CA THR A 117 29.884 24.032 -28.885 1.00 45.12 C ATOM 771 C THR A 117 28.396 23.799 -28.658 1.00 55.01 C ATOM 772 O THR A 117 27.979 23.410 -27.567 1.00 75.24 O ATOM 773 CB THR A 117 30.164 25.547 -28.864 1.00 45.34 C ATOM 774 OG1 THR A 117 29.569 26.139 -27.705 1.00 40.01 O ATOM 775 CG2 THR A 117 29.620 26.215 -30.118 1.00 22.51 C ATOM 0 H THR A 117 30.851 24.054 -30.744 1.00 23.24 H new ATOM 0 HA THR A 117 30.450 23.554 -28.085 1.00 45.12 H new ATOM 0 HB THR A 117 31.244 25.694 -28.832 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.753 27.102 -27.698 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.829 27.284 -30.081 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.097 25.782 -30.997 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.543 26.058 -30.176 1.00 22.51 H new ATOM 783 N GLU A 118 27.599 24.039 -29.695 1.00 13.24 N ATOM 784 CA GLU A 118 26.154 23.855 -29.606 1.00 64.41 C ATOM 785 C GLU A 118 25.804 22.380 -29.435 1.00 71.35 C ATOM 786 O GLU A 118 24.896 22.029 -28.681 1.00 2.31 O ATOM 787 CB GLU A 118 25.469 24.412 -30.856 1.00 42.20 C ATOM 788 CG GLU A 118 24.032 24.846 -30.621 1.00 62.40 C ATOM 789 CD GLU A 118 23.932 26.251 -30.059 1.00 32.23 C ATOM 790 OE1 GLU A 118 24.966 26.780 -29.599 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.821 26.819 -30.078 1.00 51.30 O1- ATOM 0 H GLU A 118 27.928 24.361 -30.605 1.00 13.24 H new ATOM 0 HA GLU A 118 25.797 24.399 -28.732 1.00 64.41 H new ATOM 0 HB2 GLU A 118 26.041 25.264 -31.224 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.487 23.653 -31.638 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.482 24.795 -31.561 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.553 24.149 -29.933 1.00 62.40 H new ATOM 798 N PHE A 119 26.530 21.520 -30.142 1.00 72.35 N ATOM 799 CA PHE A 119 26.295 20.082 -30.071 1.00 31.24 C ATOM 800 C PHE A 119 26.535 19.561 -28.656 1.00 51.21 C ATOM 801 O PHE A 119 25.939 18.569 -28.237 1.00 74.52 O ATOM 802 CB PHE A 119 27.202 19.345 -31.058 1.00 12.54 C ATOM 803 CG PHE A 119 27.433 17.906 -30.701 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.585 17.518 -30.036 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.498 16.938 -31.031 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.800 16.193 -29.706 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.706 15.611 -30.703 1.00 3.12 C ATOM 808 CZ PHE A 119 27.860 15.239 -30.041 1.00 63.33 C ATOM 0 H PHE A 119 27.286 21.793 -30.770 1.00 72.35 H new ATOM 0 HA PHE A 119 25.254 19.896 -30.337 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.761 19.398 -32.053 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.163 19.857 -31.108 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.324 18.260 -29.772 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.596 17.224 -31.551 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.702 15.904 -29.187 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.968 14.867 -30.964 1.00 3.12 H new ATOM 0 HZ PHE A 119 28.027 14.203 -29.786 1.00 63.33 H new ATOM 818 N LYS A 120 27.414 20.238 -27.925 1.00 14.44 N ATOM 819 CA LYS A 120 27.734 19.847 -26.557 1.00 23.11 C ATOM 820 C LYS A 120 26.718 20.420 -25.575 1.00 34.44 C ATOM 821 O LYS A 120 26.388 19.791 -24.568 1.00 62.52 O ATOM 822 CB LYS A 120 29.141 20.321 -26.186 1.00 32.24 C ATOM 823 CG LYS A 120 30.236 19.700 -27.036 1.00 15.35 C ATOM 824 CD LYS A 120 31.618 20.077 -26.526 1.00 0.00 C ATOM 825 CE LYS A 120 31.771 21.584 -26.391 1.00 12.11 C ATOM 826 NZ LYS A 120 33.168 21.971 -26.049 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.918 21.060 -28.257 1.00 14.44 H new ATOM 0 HA LYS A 120 27.696 18.759 -26.498 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.188 21.406 -26.284 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.329 20.087 -25.138 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.129 18.615 -27.033 1.00 15.35 H new ATOM 0 HG3 LYS A 120 30.126 20.028 -28.070 1.00 15.35 H new ATOM 0 HD2 LYS A 120 31.791 19.605 -25.559 1.00 0.00 H new ATOM 0 HD3 LYS A 120 32.376 19.693 -27.209 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.480 22.064 -27.325 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.093 21.950 -25.620 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 33.157 22.646 -25.258 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 33.706 21.124 -25.774 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 33.618 22.414 -26.876 1.00 75.10 H new ATOM 840 N LYS A 121 26.222 21.616 -25.873 1.00 31.11 N ATOM 841 CA LYS A 121 25.240 22.273 -25.018 1.00 75.21 C ATOM 842 C LYS A 121 23.856 21.660 -25.208 1.00 2.10 C ATOM 843 O LYS A 121 23.062 21.591 -24.270 1.00 52.44 O ATOM 844 CB LYS A 121 25.191 23.772 -25.322 1.00 1.02 C ATOM 845 CG LYS A 121 24.077 24.163 -26.277 1.00 1.41 C ATOM 846 CD LYS A 121 24.238 25.593 -26.765 1.00 43.52 C ATOM 847 CE LYS A 121 24.067 26.592 -25.632 1.00 20.23 C ATOM 848 NZ LYS A 121 23.485 27.877 -26.108 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.484 22.151 -26.701 1.00 31.11 H new ATOM 0 HA LYS A 121 25.543 22.128 -23.981 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.066 24.320 -24.388 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.147 24.079 -25.747 1.00 1.02 H new ATOM 0 HG2 LYS A 121 24.073 23.485 -27.130 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.114 24.054 -25.778 1.00 1.41 H new ATOM 0 HD2 LYS A 121 25.223 25.716 -27.214 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.504 25.797 -27.545 1.00 43.52 H new ATOM 0 HE2 LYS A 121 23.422 26.164 -24.865 1.00 20.23 H new ATOM 0 HE3 LYS A 121 25.034 26.782 -25.166 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 23.384 28.531 -25.306 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 24.113 28.299 -26.822 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 22.551 27.700 -26.529 1.00 31.14 H new ATOM 862 N VAL A 122 23.574 21.214 -26.428 1.00 23.10 N ATOM 863 CA VAL A 122 22.287 20.603 -26.741 1.00 13.41 C ATOM 864 C VAL A 122 22.196 19.192 -26.172 1.00 52.23 C ATOM 865 O VAL A 122 21.113 18.609 -26.102 1.00 71.34 O ATOM 866 CB VAL A 122 22.046 20.549 -28.261 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.083 21.947 -28.859 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.071 19.646 -28.931 1.00 1.45 C ATOM 0 H VAL A 122 24.220 21.264 -27.216 1.00 23.10 H new ATOM 0 HA VAL A 122 21.520 21.227 -26.282 1.00 13.41 H new ATOM 0 HB VAL A 122 21.055 20.131 -28.439 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.911 21.888 -29.934 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.307 22.560 -28.400 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.058 22.397 -28.672 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.886 19.619 -30.005 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.073 20.032 -28.745 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.989 18.638 -28.524 1.00 1.45 H new ATOM 878 N LEU A 123 23.337 18.648 -25.766 1.00 4.14 N ATOM 879 CA LEU A 123 23.387 17.304 -25.201 1.00 53.40 C ATOM 880 C LEU A 123 23.066 17.328 -23.710 1.00 25.13 C ATOM 881 O LEU A 123 22.406 16.427 -23.191 1.00 61.25 O ATOM 882 CB LEU A 123 24.767 16.685 -25.429 1.00 74.02 C ATOM 883 CG LEU A 123 24.951 15.920 -26.740 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.050 16.492 -27.823 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.408 15.959 -27.180 1.00 1.21 C ATOM 0 H LEU A 123 24.241 19.117 -25.817 1.00 4.14 H new ATOM 0 HA LEU A 123 22.636 16.696 -25.705 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.511 17.480 -25.388 1.00 74.02 H new ATOM 0 HB3 LEU A 123 24.980 16.007 -24.603 1.00 74.02 H new ATOM 0 HG LEU A 123 24.670 14.880 -26.574 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.195 15.935 -28.749 1.00 42.44 H new ATOM 0 HD12 LEU A 123 23.009 16.412 -27.510 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.299 17.540 -27.988 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.521 15.410 -28.115 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.716 16.994 -27.328 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.032 15.501 -26.413 1.00 1.21 H new ATOM 897 N LEU A 124 23.539 18.364 -23.025 1.00 54.13 N ATOM 898 CA LEU A 124 23.301 18.507 -21.593 1.00 75.34 C ATOM 899 C LEU A 124 22.046 19.332 -21.329 1.00 14.20 C ATOM 900 O LEU A 124 21.367 19.142 -20.320 1.00 71.21 O ATOM 901 CB LEU A 124 24.507 19.163 -20.919 1.00 22.35 C ATOM 902 CG LEU A 124 25.818 18.377 -20.978 1.00 2.11 C ATOM 903 CD1 LEU A 124 26.888 19.061 -20.142 1.00 33.13 C ATOM 904 CD2 LEU A 124 25.604 16.946 -20.508 1.00 45.33 C ATOM 0 H LEU A 124 24.089 19.117 -23.438 1.00 54.13 H new ATOM 0 HA LEU A 124 23.154 17.512 -21.173 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.670 20.138 -21.379 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.260 19.342 -19.872 1.00 22.35 H new ATOM 0 HG LEU A 124 26.157 18.350 -22.014 1.00 2.11 H new ATOM 0 HD11 LEU A 124 27.814 18.488 -20.196 1.00 33.13 H new ATOM 0 HD12 LEU A 124 27.061 20.067 -20.525 1.00 33.13 H new ATOM 0 HD13 LEU A 124 26.557 19.120 -19.105 1.00 33.13 H new ATOM 0 HD21 LEU A 124 26.547 16.402 -20.557 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.241 16.951 -19.480 1.00 45.33 H new ATOM 0 HD23 LEU A 124 24.870 16.458 -21.150 1.00 45.33 H new ATOM 916 N GLU A 125 21.742 20.247 -22.244 1.00 14.41 N ATOM 917 CA GLU A 125 20.567 21.101 -22.109 1.00 41.11 C ATOM 918 C GLU A 125 19.336 20.278 -21.738 1.00 63.43 C ATOM 919 O GLU A 125 18.715 20.480 -20.696 1.00 14.15 O ATOM 920 CB GLU A 125 20.310 21.863 -23.411 1.00 64.13 C ATOM 921 CG GLU A 125 18.845 22.186 -23.649 1.00 62.33 C ATOM 922 CD GLU A 125 18.211 22.915 -22.481 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.898 23.755 -21.862 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.028 22.646 -22.185 1.00 3.44 O1- ATOM 0 H GLU A 125 22.292 20.416 -23.086 1.00 14.41 H new ATOM 0 HA GLU A 125 20.760 21.816 -21.310 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.880 22.792 -23.397 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.683 21.272 -24.247 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.753 22.797 -24.547 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.299 21.261 -23.835 1.00 62.33 H new ATOM 931 N PRO A 126 18.975 19.327 -22.613 1.00 30.12 N ATOM 932 CA PRO A 126 17.817 18.454 -22.399 1.00 22.40 C ATOM 933 C PRO A 126 18.040 17.462 -21.263 1.00 25.33 C ATOM 934 O PRO A 126 19.178 17.163 -20.901 1.00 41.31 O ATOM 935 CB PRO A 126 17.679 17.716 -23.733 1.00 61.24 C ATOM 936 CG PRO A 126 19.048 17.735 -24.321 1.00 12.33 C ATOM 937 CD PRO A 126 19.670 19.030 -23.877 1.00 0.12 C ATOM 0 HA PRO A 126 16.929 19.018 -22.113 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.326 16.695 -23.586 1.00 61.24 H new ATOM 0 HB3 PRO A 126 16.961 18.211 -24.387 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.633 16.882 -23.976 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.007 17.674 -25.409 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.745 18.930 -23.730 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.521 19.820 -24.613 1.00 0.12 H new ATOM 945 N GLY A 127 16.946 16.953 -20.703 1.00 43.42 N ATOM 946 CA GLY A 127 17.045 16.000 -19.613 1.00 51.41 C ATOM 947 C GLY A 127 17.089 14.566 -20.101 1.00 23.25 C ATOM 948 O GLY A 127 17.559 13.676 -19.391 1.00 21.10 O ATOM 0 H GLY A 127 15.993 17.184 -20.985 1.00 43.42 H new ATOM 0 HA2 GLY A 127 17.942 16.210 -19.031 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.194 16.127 -18.944 1.00 51.41 H new ATOM 952 N SER A 128 16.599 14.339 -21.315 1.00 64.24 N ATOM 953 CA SER A 128 16.580 13.001 -21.895 1.00 14.15 C ATOM 954 C SER A 128 17.899 12.693 -22.596 1.00 43.42 C ATOM 955 O SER A 128 17.918 12.229 -23.736 1.00 75.43 O ATOM 956 CB SER A 128 15.420 12.867 -22.883 1.00 12.14 C ATOM 957 OG SER A 128 14.302 13.629 -22.464 1.00 41.51 O ATOM 0 H SER A 128 16.209 15.065 -21.917 1.00 64.24 H new ATOM 0 HA SER A 128 16.443 12.283 -21.086 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.740 13.198 -23.871 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.136 11.819 -22.975 1.00 12.14 H new ATOM 0 HG SER A 128 13.575 13.528 -23.113 1.00 41.51 H new ATOM 963 N LYS A 129 19.005 12.957 -21.907 1.00 13.44 N ATOM 964 CA LYS A 129 20.330 12.710 -22.460 1.00 70.44 C ATOM 965 C LYS A 129 20.491 11.243 -22.851 1.00 11.20 C ATOM 966 O LYS A 129 21.400 10.887 -23.599 1.00 23.24 O ATOM 967 CB LYS A 129 21.410 13.100 -21.448 1.00 55.21 C ATOM 968 CG LYS A 129 21.261 12.409 -20.104 1.00 13.43 C ATOM 969 CD LYS A 129 21.873 13.233 -18.983 1.00 2.32 C ATOM 970 CE LYS A 129 21.155 13.001 -17.663 1.00 34.02 C ATOM 971 NZ LYS A 129 21.408 14.101 -16.692 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.008 13.343 -20.963 1.00 13.44 H new ATOM 0 HA LYS A 129 20.442 13.322 -23.355 1.00 70.44 H new ATOM 0 HB2 LYS A 129 22.389 12.861 -21.864 1.00 55.21 H new ATOM 0 HB3 LYS A 129 21.382 14.179 -21.297 1.00 55.21 H new ATOM 0 HG2 LYS A 129 20.205 12.238 -19.897 1.00 13.43 H new ATOM 0 HG3 LYS A 129 21.740 11.431 -20.141 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.927 12.976 -18.875 1.00 2.32 H new ATOM 0 HD3 LYS A 129 21.828 14.291 -19.242 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.083 12.915 -17.843 1.00 34.02 H new ATOM 0 HE3 LYS A 129 21.483 12.055 -17.233 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.901 13.905 -15.805 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 22.428 14.167 -16.500 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 21.072 15.001 -17.091 1.00 60.14 H new ATOM 985 N ASN A 130 19.601 10.399 -22.340 1.00 50.25 N ATOM 986 CA ASN A 130 19.644 8.972 -22.637 1.00 20.54 C ATOM 987 C ASN A 130 19.157 8.696 -24.056 1.00 24.34 C ATOM 988 O ASN A 130 19.140 7.550 -24.506 1.00 52.01 O ATOM 989 CB ASN A 130 18.790 8.194 -21.633 1.00 13.43 C ATOM 990 CG ASN A 130 17.391 8.765 -21.500 1.00 62.11 C ATOM 991 OD1 ASN A 130 16.806 9.236 -22.475 1.00 43.45 O ATOM 992 ND2 ASN A 130 16.849 8.726 -20.289 1.00 30.42 N ATOM 0 H ASN A 130 18.842 10.678 -21.719 1.00 50.25 H new ATOM 0 HA ASN A 130 20.680 8.642 -22.556 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.726 7.152 -21.945 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.278 8.205 -20.659 1.00 13.43 H new ATOM 0 HD21 ASN A 130 15.911 9.096 -20.138 1.00 30.42 H new ATOM 0 HD22 ASN A 130 17.371 8.326 -19.509 1.00 30.42 H new ATOM 999 N LEU A 131 18.763 9.754 -24.756 1.00 22.31 N ATOM 1000 CA LEU A 131 18.277 9.627 -26.126 1.00 15.12 C ATOM 1001 C LEU A 131 19.375 9.112 -27.048 1.00 65.34 C ATOM 1002 O LEU A 131 20.556 9.141 -26.701 1.00 42.41 O ATOM 1003 CB LEU A 131 17.760 10.975 -26.631 1.00 11.43 C ATOM 1004 CG LEU A 131 18.743 12.143 -26.552 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.556 12.243 -27.834 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.005 13.446 -26.283 1.00 50.13 C ATOM 0 H LEU A 131 18.770 10.709 -24.398 1.00 22.31 H new ATOM 0 HA LEU A 131 17.459 8.907 -26.130 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.450 10.857 -27.669 1.00 11.43 H new ATOM 0 HB3 LEU A 131 16.869 11.237 -26.060 1.00 11.43 H new ATOM 0 HG LEU A 131 19.428 11.961 -25.724 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.250 13.080 -27.760 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.115 11.319 -27.983 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.885 12.402 -28.679 1.00 2.43 H new ATOM 0 HD21 LEU A 131 18.721 14.266 -26.230 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.296 13.635 -27.089 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.468 13.372 -25.337 1.00 50.13 H new ATOM 1018 N SER A 132 18.980 8.642 -28.228 1.00 12.44 N ATOM 1019 CA SER A 132 19.931 8.119 -29.201 1.00 34.35 C ATOM 1020 C SER A 132 20.820 9.233 -29.745 1.00 0.35 C ATOM 1021 O SER A 132 20.418 10.397 -29.788 1.00 24.34 O ATOM 1022 CB SER A 132 19.192 7.434 -30.351 1.00 71.11 C ATOM 1023 OG SER A 132 17.894 7.028 -29.953 1.00 74.41 O ATOM 0 H SER A 132 18.007 8.613 -28.533 1.00 12.44 H new ATOM 0 HA SER A 132 20.562 7.387 -28.697 1.00 34.35 H new ATOM 0 HB2 SER A 132 19.119 8.116 -31.198 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.760 6.567 -30.688 1.00 71.11 H new ATOM 0 HG SER A 132 17.442 6.594 -30.706 1.00 74.41 H new ATOM 1029 N ILE A 133 22.028 8.869 -30.159 1.00 2.43 N ATOM 1030 CA ILE A 133 22.974 9.837 -30.701 1.00 72.04 C ATOM 1031 C ILE A 133 22.458 10.439 -32.004 1.00 24.01 C ATOM 1032 O ILE A 133 22.901 11.508 -32.423 1.00 53.43 O ATOM 1033 CB ILE A 133 24.352 9.197 -30.954 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.312 10.223 -31.560 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.215 7.988 -31.867 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.746 10.046 -31.115 1.00 63.31 C ATOM 0 H ILE A 133 22.376 7.910 -30.130 1.00 2.43 H new ATOM 0 HA ILE A 133 23.081 10.626 -29.956 1.00 72.04 H new ATOM 0 HB ILE A 133 24.761 8.863 -30.001 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.266 10.153 -32.647 1.00 14.41 H new ATOM 0 HG13 ILE A 133 24.978 11.225 -31.290 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.197 7.547 -32.036 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.562 7.251 -31.399 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.788 8.299 -32.820 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.369 10.808 -31.584 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.806 10.145 -30.031 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.099 9.057 -31.409 1.00 63.31 H new ATOM 1048 N TYR A 134 21.520 9.745 -32.638 1.00 51.34 N ATOM 1049 CA TYR A 134 20.943 10.211 -33.894 1.00 14.53 C ATOM 1050 C TYR A 134 20.273 11.570 -33.715 1.00 72.13 C ATOM 1051 O TYR A 134 20.423 12.462 -34.549 1.00 64.14 O ATOM 1052 CB TYR A 134 19.929 9.195 -34.422 1.00 10.23 C ATOM 1053 CG TYR A 134 19.576 9.391 -35.879 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.219 8.663 -36.873 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.602 10.304 -36.261 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.900 8.840 -38.206 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.276 10.487 -37.591 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.928 9.753 -38.560 1.00 2.11 C ATOM 1059 OH TYR A 134 18.607 9.931 -39.886 1.00 3.43 O ATOM 0 H TYR A 134 21.143 8.858 -32.304 1.00 51.34 H new ATOM 0 HA TYR A 134 21.751 10.317 -34.618 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.330 8.190 -34.286 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.019 9.259 -33.825 1.00 10.23 H new ATOM 0 HD1 TYR A 134 20.980 7.947 -36.599 1.00 75.12 H new ATOM 0 HD2 TYR A 134 18.090 10.881 -35.505 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.409 8.267 -38.967 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.515 11.201 -37.870 1.00 22.22 H new ATOM 0 HH TYR A 134 17.903 10.609 -39.964 1.00 3.43 H new ATOM 1069 N GLN A 135 19.533 11.717 -32.622 1.00 15.24 N ATOM 1070 CA GLN A 135 18.838 12.967 -32.332 1.00 3.44 C ATOM 1071 C GLN A 135 19.822 14.050 -31.900 1.00 63.55 C ATOM 1072 O GLN A 135 19.669 15.219 -32.251 1.00 15.31 O ATOM 1073 CB GLN A 135 17.788 12.751 -31.241 1.00 23.05 C ATOM 1074 CG GLN A 135 16.714 11.745 -31.621 1.00 5.20 C ATOM 1075 CD GLN A 135 16.572 10.630 -30.604 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.085 10.846 -29.493 1.00 23.14 O ATOM 1077 NE2 GLN A 135 16.996 9.429 -30.977 1.00 23.23 N ATOM 0 H GLN A 135 19.398 10.987 -31.922 1.00 15.24 H new ATOM 0 HA GLN A 135 18.341 13.296 -33.244 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.285 12.413 -30.332 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.315 13.705 -31.010 1.00 23.05 H new ATOM 0 HG2 GLN A 135 15.759 12.261 -31.725 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.952 11.316 -32.594 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.393 9.294 -31.907 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.925 8.641 -30.334 1.00 23.23 H new ATOM 1086 N THR A 136 20.834 13.651 -31.136 1.00 4.35 N ATOM 1087 CA THR A 136 21.843 14.586 -30.654 1.00 41.33 C ATOM 1088 C THR A 136 22.412 15.418 -31.798 1.00 13.53 C ATOM 1089 O THR A 136 22.437 16.648 -31.731 1.00 52.25 O ATOM 1090 CB THR A 136 22.997 13.853 -29.945 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.785 13.139 -30.903 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.462 12.886 -28.899 1.00 12.34 C ATOM 0 H THR A 136 20.977 12.686 -30.838 1.00 4.35 H new ATOM 0 HA THR A 136 21.348 15.244 -29.940 1.00 41.33 H new ATOM 0 HB THR A 136 23.618 14.596 -29.446 1.00 42.43 H new ATOM 0 HG1 THR A 136 23.199 12.588 -31.463 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.295 12.380 -28.411 1.00 12.34 H new ATOM 0 HG22 THR A 136 21.886 13.437 -28.155 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.821 12.148 -29.380 1.00 12.34 H new ATOM 1100 N LEU A 137 22.867 14.741 -32.846 1.00 40.20 N ATOM 1101 CA LEU A 137 23.434 15.419 -34.006 1.00 24.30 C ATOM 1102 C LEU A 137 22.341 16.072 -34.846 1.00 25.13 C ATOM 1103 O LEU A 137 22.519 17.172 -35.369 1.00 73.04 O ATOM 1104 CB LEU A 137 24.228 14.430 -34.862 1.00 71.51 C ATOM 1105 CG LEU A 137 25.620 14.886 -35.301 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.694 14.056 -34.616 1.00 42.21 C ATOM 1107 CD2 LEU A 137 25.758 14.797 -36.813 1.00 41.53 C ATOM 0 H LEU A 137 22.854 13.724 -32.916 1.00 40.20 H new ATOM 0 HA LEU A 137 24.104 16.200 -33.646 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.332 13.500 -34.304 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.644 14.203 -35.754 1.00 71.51 H new ATOM 0 HG LEU A 137 25.751 15.927 -35.005 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.678 14.395 -34.941 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.609 14.171 -33.535 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.566 13.006 -34.880 1.00 42.21 H new ATOM 0 HD21 LEU A 137 26.755 15.125 -37.107 1.00 41.53 H new ATOM 0 HD22 LEU A 137 25.607 13.766 -37.132 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.011 15.436 -37.285 1.00 41.53 H new ATOM 1119 N LEU A 138 21.209 15.387 -34.968 1.00 10.14 N ATOM 1120 CA LEU A 138 20.084 15.901 -35.742 1.00 31.24 C ATOM 1121 C LEU A 138 19.647 17.268 -35.225 1.00 11.02 C ATOM 1122 O LEU A 138 19.437 18.199 -36.002 1.00 71.33 O ATOM 1123 CB LEU A 138 18.911 14.922 -35.685 1.00 41.12 C ATOM 1124 CG LEU A 138 17.522 15.546 -35.543 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.179 16.369 -36.776 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.473 14.468 -35.312 1.00 22.45 C ATOM 0 H LEU A 138 21.046 14.475 -34.541 1.00 10.14 H new ATOM 0 HA LEU A 138 20.407 16.011 -36.777 1.00 31.24 H new ATOM 0 HB2 LEU A 138 18.925 14.317 -36.591 1.00 41.12 H new ATOM 0 HB3 LEU A 138 19.070 14.244 -34.847 1.00 41.12 H new ATOM 0 HG LEU A 138 17.529 16.209 -34.678 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.187 16.806 -36.658 1.00 14.12 H new ATOM 0 HD12 LEU A 138 17.914 17.165 -36.898 1.00 14.12 H new ATOM 0 HD13 LEU A 138 17.190 15.727 -37.657 1.00 14.12 H new ATOM 0 HD21 LEU A 138 15.491 14.931 -35.213 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.466 13.780 -36.157 1.00 22.45 H new ATOM 0 HD23 LEU A 138 16.709 13.920 -34.400 1.00 22.45 H new ATOM 1138 N ALA A 139 19.512 17.381 -33.908 1.00 11.23 N ATOM 1139 CA ALA A 139 19.103 18.635 -33.286 1.00 25.20 C ATOM 1140 C ALA A 139 20.230 19.661 -33.330 1.00 1.41 C ATOM 1141 O ALA A 139 20.021 20.811 -33.719 1.00 21.21 O ATOM 1142 CB ALA A 139 18.663 18.393 -31.849 1.00 44.04 C ATOM 0 H ALA A 139 19.680 16.619 -33.251 1.00 11.23 H new ATOM 0 HA ALA A 139 18.260 19.034 -33.850 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.360 19.338 -31.397 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.822 17.700 -31.838 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.491 17.968 -31.282 1.00 44.04 H new ATOM 1148 N ALA A 140 21.425 19.241 -32.929 1.00 70.34 N ATOM 1149 CA ALA A 140 22.585 20.124 -32.924 1.00 73.32 C ATOM 1150 C ALA A 140 22.829 20.717 -34.308 1.00 31.53 C ATOM 1151 O ALA A 140 23.204 21.882 -34.437 1.00 61.43 O ATOM 1152 CB ALA A 140 23.818 19.373 -32.445 1.00 20.30 C ATOM 0 H ALA A 140 21.616 18.293 -32.603 1.00 70.34 H new ATOM 0 HA ALA A 140 22.383 20.945 -32.236 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.676 20.045 -32.446 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.649 19.003 -31.434 1.00 20.30 H new ATOM 0 HB3 ALA A 140 24.014 18.533 -33.111 1.00 20.30 H new ATOM 1158 N HIS A 141 22.614 19.906 -35.340 1.00 1.44 N ATOM 1159 CA HIS A 141 22.812 20.352 -36.715 1.00 35.23 C ATOM 1160 C HIS A 141 21.703 21.310 -37.140 1.00 23.11 C ATOM 1161 O HIS A 141 21.970 22.443 -37.540 1.00 71.12 O ATOM 1162 CB HIS A 141 22.855 19.151 -37.661 1.00 54.14 C ATOM 1163 CG HIS A 141 23.188 19.515 -39.075 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.455 19.388 -39.605 1.00 11.41 N ATOM 1165 CD2 HIS A 141 22.412 20.000 -40.071 1.00 55.51 C ATOM 1166 CE1 HIS A 141 24.444 19.783 -40.865 1.00 43.34 C ATOM 1167 NE2 HIS A 141 23.215 20.158 -41.174 1.00 1.53 N ATOM 0 H HIS A 141 22.303 18.939 -35.250 1.00 1.44 H new ATOM 0 HA HIS A 141 23.764 20.880 -36.767 1.00 35.23 H new ATOM 0 HB2 HIS A 141 23.592 18.437 -37.295 1.00 54.14 H new ATOM 0 HB3 HIS A 141 21.888 18.649 -37.642 1.00 54.14 H new ATOM 0 HD2 HIS A 141 21.357 20.222 -40.010 1.00 55.51 H new ATOM 0 HE1 HIS A 141 25.295 19.797 -41.530 1.00 43.34 H new ATOM 0 HE2 HIS A 141 22.912 20.508 -42.083 1.00 1.53 H new ATOM 1176 N GLU A 142 20.460 20.847 -37.052 1.00 21.22 N ATOM 1177 CA GLU A 142 19.313 21.663 -37.429 1.00 60.01 C ATOM 1178 C GLU A 142 19.300 22.976 -36.652 1.00 12.12 C ATOM 1179 O GLU A 142 18.887 24.013 -37.171 1.00 65.25 O ATOM 1180 CB GLU A 142 18.011 20.898 -37.181 1.00 0.33 C ATOM 1181 CG GLU A 142 17.878 19.635 -38.017 1.00 13.53 C ATOM 1182 CD GLU A 142 17.178 19.882 -39.339 1.00 12.43 C ATOM 1183 OE1 GLU A 142 16.177 20.629 -39.349 1.00 13.54 O ATOM 1184 OE2 GLU A 142 17.630 19.329 -40.363 1.00 0.23 O1- ATOM 0 H GLU A 142 20.222 19.911 -36.723 1.00 21.22 H new ATOM 0 HA GLU A 142 19.396 21.891 -38.492 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.951 20.633 -36.125 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.167 21.555 -37.393 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.869 19.223 -38.206 1.00 13.53 H new ATOM 0 HG3 GLU A 142 17.324 18.886 -37.451 1.00 13.53 H new ATOM 1191 N ARG A 143 19.754 22.922 -35.404 1.00 11.21 N ATOM 1192 CA ARG A 143 19.793 24.107 -34.554 1.00 60.32 C ATOM 1193 C ARG A 143 20.856 25.089 -35.038 1.00 61.53 C ATOM 1194 O ARG A 143 20.698 26.303 -34.912 1.00 4.22 O ATOM 1195 CB ARG A 143 20.073 23.710 -33.104 1.00 31.13 C ATOM 1196 CG ARG A 143 18.830 23.289 -32.336 1.00 61.33 C ATOM 1197 CD ARG A 143 18.919 23.684 -30.872 1.00 34.34 C ATOM 1198 NE ARG A 143 18.693 25.113 -30.675 1.00 43.43 N ATOM 1199 CZ ARG A 143 18.386 25.655 -29.501 1.00 42.24 C ATOM 1200 NH1 ARG A 143 18.269 24.890 -28.425 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 18.196 26.965 -29.404 1.00 72.21 N ATOM 0 H ARG A 143 20.100 22.072 -34.959 1.00 11.21 H new ATOM 0 HA ARG A 143 18.820 24.596 -34.609 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.791 22.890 -33.093 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.540 24.550 -32.590 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.950 23.750 -32.785 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.700 22.210 -32.415 1.00 61.33 H new ATOM 0 HD2 ARG A 143 18.184 23.119 -30.299 1.00 34.34 H new ATOM 0 HD3 ARG A 143 19.901 23.416 -30.483 1.00 34.34 H new ATOM 0 HE ARG A 143 18.775 25.730 -31.483 1.00 43.43 H new ATOM 0 HH11 ARG A 143 18.415 23.883 -28.497 1.00 31.10 H new ATOM 0 HH12 ARG A 143 18.033 25.308 -27.525 1.00 31.10 H new ATOM 0 HH21 ARG A 143 18.286 27.556 -30.231 1.00 72.21 H new ATOM 0 HH22 ARG A 143 17.960 27.381 -28.503 1.00 72.21 H new ATOM 1215 N LEU A 144 21.939 24.554 -35.593 1.00 51.52 N ATOM 1216 CA LEU A 144 23.029 25.383 -36.097 1.00 34.24 C ATOM 1217 C LEU A 144 22.555 26.266 -37.247 1.00 61.12 C ATOM 1218 O LEU A 144 23.010 27.399 -37.399 1.00 51.43 O ATOM 1219 CB LEU A 144 24.192 24.505 -36.558 1.00 61.43 C ATOM 1220 CG LEU A 144 25.426 25.243 -37.076 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.311 25.682 -35.920 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.208 24.364 -38.043 1.00 54.33 C ATOM 0 H LEU A 144 22.085 23.551 -35.705 1.00 51.52 H new ATOM 0 HA LEU A 144 23.368 26.027 -35.286 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.496 23.872 -35.724 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.832 23.844 -37.346 1.00 61.43 H new ATOM 0 HG LEU A 144 25.094 26.133 -37.611 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.184 26.206 -36.309 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.750 26.349 -35.265 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.634 24.807 -35.356 1.00 42.11 H new ATOM 0 HD21 LEU A 144 27.083 24.906 -38.401 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.528 23.456 -37.532 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.573 24.100 -38.889 1.00 54.33 H new ATOM 1234 N GLN A 145 21.639 25.738 -38.052 1.00 51.00 N ATOM 1235 CA GLN A 145 21.103 26.479 -39.188 1.00 12.25 C ATOM 1236 C GLN A 145 19.696 26.986 -38.892 1.00 12.51 C ATOM 1237 O GLN A 145 18.855 27.070 -39.786 1.00 14.40 O ATOM 1238 CB GLN A 145 21.088 25.597 -40.438 1.00 54.30 C ATOM 1239 CG GLN A 145 22.420 24.924 -40.724 1.00 44.02 C ATOM 1240 CD GLN A 145 22.498 23.519 -40.160 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.492 22.812 -40.085 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.695 23.106 -39.762 1.00 40.43 N ATOM 0 H GLN A 145 21.253 24.801 -37.939 1.00 51.00 H new ATOM 0 HA GLN A 145 21.749 27.339 -39.366 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.321 24.831 -40.323 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.805 26.205 -41.298 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.580 24.888 -41.802 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.225 25.526 -40.302 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.501 23.726 -39.843 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.809 22.169 -39.375 1.00 40.43 H new ATOM 1251 N ALA A 146 19.446 27.324 -37.630 1.00 25.41 N ATOM 1252 CA ALA A 146 18.142 27.824 -37.217 1.00 61.13 C ATOM 1253 C ALA A 146 18.189 29.325 -36.949 1.00 43.10 C ATOM 1254 O ALA A 146 19.236 29.959 -37.094 1.00 53.12 O ATOM 1255 CB ALA A 146 17.659 27.080 -35.981 1.00 73.03 C ATOM 0 H ALA A 146 20.131 27.260 -36.877 1.00 25.41 H new ATOM 0 HA ALA A 146 17.439 27.649 -38.031 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.683 27.464 -35.683 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.577 26.016 -36.205 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.370 27.226 -35.168 1.00 73.03 H new ATOM 1261 N LEU A 147 17.051 29.887 -36.557 1.00 64.13 N ATOM 1262 CA LEU A 147 16.963 31.314 -36.269 1.00 53.53 C ATOM 1263 C LEU A 147 17.677 31.652 -34.965 1.00 25.45 C ATOM 1264 O LEU A 147 17.012 31.872 -33.954 1.00 52.04 O ATOM 1265 CB LEU A 147 15.499 31.749 -36.190 1.00 12.24 C ATOM 1266 CG LEU A 147 14.837 32.126 -37.516 1.00 10.30 C ATOM 1267 CD1 LEU A 147 14.295 30.888 -38.212 1.00 75.04 C ATOM 1268 CD2 LEU A 147 13.727 33.142 -37.289 1.00 34.23 C ATOM 0 H LEU A 147 16.177 29.377 -36.431 1.00 64.13 H new ATOM 0 HA LEU A 147 17.453 31.854 -37.080 1.00 53.53 H new ATOM 0 HB2 LEU A 147 14.925 30.941 -35.737 1.00 12.24 H new ATOM 0 HB3 LEU A 147 15.431 32.604 -35.517 1.00 12.24 H new ATOM 0 HG LEU A 147 15.590 32.580 -38.160 1.00 10.30 H new ATOM 0 HD11 LEU A 147 13.827 31.175 -39.154 1.00 75.04 H new ATOM 0 HD12 LEU A 147 15.112 30.194 -38.409 1.00 75.04 H new ATOM 0 HD13 LEU A 147 13.556 30.405 -37.573 1.00 75.04 H new ATOM 0 HD21 LEU A 147 13.268 33.398 -38.244 1.00 34.23 H new ATOM 0 HD22 LEU A 147 12.974 32.716 -36.626 1.00 34.23 H new ATOM 0 HD23 LEU A 147 14.144 34.041 -36.834 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 102.663 30.628 -35.758 1.00 21.13 N ATOM 1282 CA HIS B 518 102.002 30.734 -34.463 1.00 35.22 C ATOM 1283 C HIS B 518 100.539 30.316 -34.564 1.00 35.13 C ATOM 1284 O HIS B 518 99.650 31.008 -34.069 1.00 13.03 O ATOM 1285 CB HIS B 518 102.100 32.164 -33.932 1.00 50.40 C ATOM 1286 CG HIS B 518 101.680 33.203 -34.926 1.00 11.31 C ATOM 1287 ND1 HIS B 518 100.480 33.878 -34.848 1.00 51.44 N ATOM 1288 CD2 HIS B 518 102.309 33.681 -36.025 1.00 52.22 C ATOM 1289 CE1 HIS B 518 100.389 34.726 -35.857 1.00 51.12 C ATOM 1290 NE2 HIS B 518 101.485 34.626 -36.587 1.00 12.11 N ATOM 0 HA HIS B 518 102.507 30.062 -33.769 1.00 35.22 H new ATOM 0 HB2 HIS B 518 101.480 32.255 -33.040 1.00 50.40 H new ATOM 0 HB3 HIS B 518 103.128 32.360 -33.627 1.00 50.40 H new ATOM 0 HD2 HIS B 518 103.278 33.376 -36.392 1.00 52.22 H new ATOM 0 HE1 HIS B 518 99.559 35.389 -36.052 1.00 51.12 H new ATOM 0 HE2 HIS B 518 101.687 35.163 -37.431 1.00 12.11 H new ATOM 1299 N MET B 519 100.296 29.180 -35.210 1.00 20.22 N ATOM 1300 CA MET B 519 98.940 28.670 -35.376 1.00 45.23 C ATOM 1301 C MET B 519 98.774 27.327 -34.673 1.00 50.30 C ATOM 1302 O MET B 519 99.757 26.677 -34.314 1.00 40.52 O ATOM 1303 CB MET B 519 98.604 28.525 -36.862 1.00 3.13 C ATOM 1304 CG MET B 519 98.355 29.853 -37.561 1.00 31.34 C ATOM 1305 SD MET B 519 97.985 29.655 -39.314 1.00 5.43 S ATOM 1306 CE MET B 519 96.258 30.128 -39.352 1.00 34.34 C ATOM 0 H MET B 519 101.020 28.595 -35.627 1.00 20.22 H new ATOM 0 HA MET B 519 98.253 29.385 -34.923 1.00 45.23 H new ATOM 0 HB2 MET B 519 99.423 28.008 -37.363 1.00 3.13 H new ATOM 0 HB3 MET B 519 97.719 27.897 -36.967 1.00 3.13 H new ATOM 0 HG2 MET B 519 97.525 30.366 -37.074 1.00 31.34 H new ATOM 0 HG3 MET B 519 99.233 30.489 -37.448 1.00 31.34 H new ATOM 0 HE1 MET B 519 95.884 30.057 -40.373 1.00 34.34 H new ATOM 0 HE2 MET B 519 95.684 29.462 -38.708 1.00 34.34 H new ATOM 0 HE3 MET B 519 96.154 31.154 -38.998 1.00 34.34 H new ATOM 1316 N ASP B 520 97.527 26.916 -34.478 1.00 74.23 N ATOM 1317 CA ASP B 520 97.232 25.650 -33.818 1.00 31.44 C ATOM 1318 C ASP B 520 97.570 24.471 -34.726 1.00 44.32 C ATOM 1319 O ASP B 520 97.682 24.608 -35.945 1.00 1.42 O ATOM 1320 CB ASP B 520 95.758 25.591 -33.413 1.00 25.13 C ATOM 1321 CG ASP B 520 95.512 26.180 -32.038 1.00 32.35 C ATOM 1322 OD1 ASP B 520 94.740 25.578 -31.263 1.00 72.23 O ATOM 1323 OD2 ASP B 520 96.092 27.243 -31.736 1.00 3.02 O1- ATOM 0 H ASP B 520 96.702 27.442 -34.768 1.00 74.23 H new ATOM 0 HA ASP B 520 97.849 25.585 -32.922 1.00 31.44 H new ATOM 0 HB2 ASP B 520 95.160 26.130 -34.148 1.00 25.13 H new ATOM 0 HB3 ASP B 520 95.422 24.554 -33.427 1.00 25.13 H new ATOM 1328 N PRO B 521 97.740 23.286 -34.122 1.00 54.32 N ATOM 1329 CA PRO B 521 98.068 22.062 -34.857 1.00 73.43 C ATOM 1330 C PRO B 521 96.906 21.570 -35.713 1.00 14.40 C ATOM 1331 O PRO B 521 97.079 21.247 -36.889 1.00 3.11 O ATOM 1332 CB PRO B 521 98.379 21.054 -33.749 1.00 34.25 C ATOM 1333 CG PRO B 521 97.626 21.551 -32.563 1.00 74.43 C ATOM 1334 CD PRO B 521 97.622 23.050 -32.673 1.00 2.40 C ATOM 0 HA PRO B 521 98.891 22.215 -35.555 1.00 73.43 H new ATOM 0 HB2 PRO B 521 98.061 20.049 -34.027 1.00 34.25 H new ATOM 0 HB3 PRO B 521 99.449 21.005 -33.547 1.00 34.25 H new ATOM 0 HG2 PRO B 521 96.609 21.158 -32.553 1.00 74.43 H new ATOM 0 HG3 PRO B 521 98.101 21.229 -31.636 1.00 74.43 H new ATOM 0 HD2 PRO B 521 96.705 23.480 -32.269 1.00 2.40 H new ATOM 0 HD3 PRO B 521 98.452 23.495 -32.124 1.00 2.40 H new ATOM 1342 N LEU B 522 95.719 21.515 -35.116 1.00 1.11 N ATOM 1343 CA LEU B 522 94.527 21.064 -35.825 1.00 75.22 C ATOM 1344 C LEU B 522 93.280 21.250 -34.966 1.00 30.33 C ATOM 1345 O LEU B 522 93.366 21.657 -33.807 1.00 4.43 O ATOM 1346 CB LEU B 522 94.672 19.594 -36.222 1.00 22.31 C ATOM 1347 CG LEU B 522 94.853 18.603 -35.071 1.00 23.42 C ATOM 1348 CD1 LEU B 522 93.790 17.517 -35.130 1.00 31.54 C ATOM 1349 CD2 LEU B 522 96.246 17.990 -35.109 1.00 64.43 C ATOM 0 H LEU B 522 95.558 21.777 -34.144 1.00 1.11 H new ATOM 0 HA LEU B 522 94.419 21.668 -36.726 1.00 75.22 H new ATOM 0 HB2 LEU B 522 93.789 19.303 -36.790 1.00 22.31 H new ATOM 0 HB3 LEU B 522 95.527 19.502 -36.892 1.00 22.31 H new ATOM 0 HG LEU B 522 94.740 19.143 -34.131 1.00 23.42 H new ATOM 0 HD11 LEU B 522 93.935 16.821 -34.304 1.00 31.54 H new ATOM 0 HD12 LEU B 522 92.802 17.971 -35.054 1.00 31.54 H new ATOM 0 HD13 LEU B 522 93.871 16.980 -36.075 1.00 31.54 H new ATOM 0 HD21 LEU B 522 96.357 17.288 -34.283 1.00 64.43 H new ATOM 0 HD22 LEU B 522 96.387 17.465 -36.054 1.00 64.43 H new ATOM 0 HD23 LEU B 522 96.993 18.778 -35.018 1.00 64.43 H new ATOM 1361 N THR B 523 92.121 20.945 -35.540 1.00 53.05 N ATOM 1362 CA THR B 523 90.856 21.078 -34.827 1.00 40.25 C ATOM 1363 C THR B 523 90.100 19.754 -34.799 1.00 12.10 C ATOM 1364 O THR B 523 89.401 19.391 -35.745 1.00 20.21 O ATOM 1365 CB THR B 523 89.960 22.154 -35.469 1.00 32.04 C ATOM 1366 OG1 THR B 523 88.617 22.023 -34.989 1.00 63.35 O ATOM 1367 CG2 THR B 523 89.977 22.040 -36.986 1.00 73.11 C ATOM 0 H THR B 523 92.032 20.604 -36.497 1.00 53.05 H new ATOM 0 HA THR B 523 91.097 21.378 -33.807 1.00 40.25 H new ATOM 0 HB THR B 523 90.350 23.133 -35.191 1.00 32.04 H new ATOM 0 HG1 THR B 523 88.054 22.711 -35.401 1.00 63.35 H new ATOM 0 HG21 THR B 523 89.337 22.810 -37.416 1.00 73.11 H new ATOM 0 HG22 THR B 523 90.996 22.171 -37.349 1.00 73.11 H new ATOM 0 HG23 THR B 523 89.610 21.057 -37.281 1.00 73.11 H new ATOM 1375 N PRO B 524 90.241 19.016 -33.688 1.00 61.23 N ATOM 1376 CA PRO B 524 89.576 17.721 -33.510 1.00 21.31 C ATOM 1377 C PRO B 524 88.067 17.862 -33.343 1.00 11.10 C ATOM 1378 O PRO B 524 87.566 18.940 -33.022 1.00 65.14 O ATOM 1379 CB PRO B 524 90.207 17.173 -32.227 1.00 71.15 C ATOM 1380 CG PRO B 524 90.656 18.381 -31.480 1.00 14.31 C ATOM 1381 CD PRO B 524 91.058 19.388 -32.522 1.00 21.34 C ATOM 0 HA PRO B 524 89.706 17.073 -34.377 1.00 21.31 H new ATOM 0 HB2 PRO B 524 89.488 16.594 -31.648 1.00 71.15 H new ATOM 0 HB3 PRO B 524 91.044 16.511 -32.449 1.00 71.15 H new ATOM 0 HG2 PRO B 524 89.856 18.770 -30.850 1.00 14.31 H new ATOM 0 HG3 PRO B 524 91.493 18.145 -30.823 1.00 14.31 H new ATOM 0 HD2 PRO B 524 90.852 20.408 -32.196 1.00 21.34 H new ATOM 0 HD3 PRO B 524 92.124 19.333 -32.744 1.00 21.34 H new ATOM 1389 N ASP B 525 87.348 16.767 -33.563 1.00 31.30 N ATOM 1390 CA ASP B 525 85.896 16.767 -33.435 1.00 51.41 C ATOM 1391 C ASP B 525 85.479 16.720 -31.968 1.00 61.44 C ATOM 1392 O ASP B 525 86.235 16.262 -31.113 1.00 70.22 O ATOM 1393 CB ASP B 525 85.296 15.579 -34.188 1.00 53.22 C ATOM 1394 CG ASP B 525 85.850 14.252 -33.709 1.00 74.23 C ATOM 1395 OD1 ASP B 525 87.014 13.942 -34.037 1.00 15.03 O ATOM 1396 OD2 ASP B 525 85.117 13.521 -33.008 1.00 4.21 O1- ATOM 0 H ASP B 525 87.748 15.868 -33.831 1.00 31.30 H new ATOM 0 HA ASP B 525 85.518 17.691 -33.871 1.00 51.41 H new ATOM 0 HB2 ASP B 525 84.213 15.583 -34.064 1.00 53.22 H new ATOM 0 HB3 ASP B 525 85.496 15.690 -35.254 1.00 53.22 H new ATOM 1401 N ALA B 526 84.271 17.198 -31.686 1.00 64.40 N ATOM 1402 CA ALA B 526 83.754 17.209 -30.324 1.00 74.21 C ATOM 1403 C ALA B 526 82.413 16.487 -30.240 1.00 60.43 C ATOM 1404 O ALA B 526 81.492 16.943 -29.563 1.00 3.51 O ATOM 1405 CB ALA B 526 83.617 18.639 -29.823 1.00 22.02 C ATOM 0 H ALA B 526 83.633 17.582 -32.383 1.00 64.40 H new ATOM 0 HA ALA B 526 84.463 16.679 -29.688 1.00 74.21 H new ATOM 0 HB1 ALA B 526 83.230 18.632 -28.804 1.00 22.02 H new ATOM 0 HB2 ALA B 526 84.593 19.124 -29.837 1.00 22.02 H new ATOM 0 HB3 ALA B 526 82.930 19.186 -30.469 1.00 22.02 H new ATOM 1411 N SER B 527 82.310 15.357 -30.933 1.00 22.23 N ATOM 1412 CA SER B 527 81.080 14.573 -30.940 1.00 10.42 C ATOM 1413 C SER B 527 81.335 13.168 -31.476 1.00 55.23 C ATOM 1414 O SER B 527 82.001 12.994 -32.496 1.00 74.31 O ATOM 1415 CB SER B 527 80.013 15.270 -31.785 1.00 54.03 C ATOM 1416 OG SER B 527 80.435 15.401 -33.132 1.00 33.11 O ATOM 0 H SER B 527 83.064 14.964 -31.497 1.00 22.23 H new ATOM 0 HA SER B 527 80.723 14.491 -29.913 1.00 10.42 H new ATOM 0 HB2 SER B 527 79.084 14.701 -31.745 1.00 54.03 H new ATOM 0 HB3 SER B 527 79.802 16.255 -31.369 1.00 54.03 H new ATOM 0 HG SER B 527 80.987 14.629 -33.378 1.00 33.11 H new ATOM 1422 N GLU B 528 80.799 12.170 -30.781 1.00 34.44 N ATOM 1423 CA GLU B 528 80.968 10.780 -31.186 1.00 70.03 C ATOM 1424 C GLU B 528 79.630 10.045 -31.183 1.00 45.40 C ATOM 1425 O GLU B 528 79.054 9.777 -32.238 1.00 23.21 O ATOM 1426 CB GLU B 528 81.954 10.071 -30.257 1.00 24.51 C ATOM 1427 CG GLU B 528 82.008 8.566 -30.461 1.00 63.11 C ATOM 1428 CD GLU B 528 82.502 8.182 -31.843 1.00 25.14 C ATOM 1429 OE1 GLU B 528 83.691 7.817 -31.968 1.00 15.45 O ATOM 1430 OE2 GLU B 528 81.702 8.247 -32.798 1.00 52.05 O1- ATOM 0 H GLU B 528 80.244 12.298 -29.935 1.00 34.44 H new ATOM 0 HA GLU B 528 81.365 10.770 -32.201 1.00 70.03 H new ATOM 0 HB2 GLU B 528 82.950 10.486 -30.413 1.00 24.51 H new ATOM 0 HB3 GLU B 528 81.680 10.279 -29.223 1.00 24.51 H new ATOM 0 HG2 GLU B 528 82.663 8.124 -29.710 1.00 63.11 H new ATOM 0 HG3 GLU B 528 81.014 8.146 -30.305 1.00 63.11 H new ATOM 1437 N SER B 529 79.141 9.723 -29.989 1.00 24.10 N ATOM 1438 CA SER B 529 77.875 9.016 -29.848 1.00 74.23 C ATOM 1439 C SER B 529 76.763 9.971 -29.423 1.00 3.40 C ATOM 1440 O SER B 529 75.854 9.595 -28.683 1.00 61.24 O ATOM 1441 CB SER B 529 78.009 7.886 -28.826 1.00 63.34 C ATOM 1442 OG SER B 529 76.982 6.923 -28.993 1.00 34.34 O ATOM 0 H SER B 529 79.603 9.941 -29.106 1.00 24.10 H new ATOM 0 HA SER B 529 77.615 8.591 -30.818 1.00 74.23 H new ATOM 0 HB2 SER B 529 78.982 7.407 -28.934 1.00 63.34 H new ATOM 0 HB3 SER B 529 77.966 8.297 -27.817 1.00 63.34 H new ATOM 0 HG SER B 529 76.108 7.363 -28.934 1.00 34.34 H new ATOM 1448 N VAL B 530 76.845 11.211 -29.896 1.00 34.03 N ATOM 1449 CA VAL B 530 75.847 12.222 -29.566 1.00 72.15 C ATOM 1450 C VAL B 530 74.529 11.946 -30.284 1.00 13.35 C ATOM 1451 O VAL B 530 74.515 11.471 -31.417 1.00 62.34 O ATOM 1452 CB VAL B 530 76.335 13.634 -29.938 1.00 51.23 C ATOM 1453 CG1 VAL B 530 76.694 13.705 -31.415 1.00 75.24 C ATOM 1454 CG2 VAL B 530 75.279 14.672 -29.587 1.00 2.14 C ATOM 0 H VAL B 530 77.592 11.539 -30.508 1.00 34.03 H new ATOM 0 HA VAL B 530 75.689 12.173 -28.489 1.00 72.15 H new ATOM 0 HB VAL B 530 77.233 13.852 -29.360 1.00 51.23 H new ATOM 0 HG11 VAL B 530 77.037 14.711 -31.658 1.00 75.24 H new ATOM 0 HG12 VAL B 530 77.487 12.989 -31.631 1.00 75.24 H new ATOM 0 HG13 VAL B 530 75.816 13.466 -32.015 1.00 75.24 H new ATOM 0 HG21 VAL B 530 75.640 15.664 -29.857 1.00 2.14 H new ATOM 0 HG22 VAL B 530 74.362 14.458 -30.136 1.00 2.14 H new ATOM 0 HG23 VAL B 530 75.077 14.638 -28.516 1.00 2.14 H new ATOM 1464 N ASN B 531 73.423 12.250 -29.612 1.00 50.32 N ATOM 1465 CA ASN B 531 72.099 12.036 -30.185 1.00 54.32 C ATOM 1466 C ASN B 531 71.084 13.005 -29.586 1.00 34.52 C ATOM 1467 O ASN B 531 71.423 13.828 -28.737 1.00 34.23 O ATOM 1468 CB ASN B 531 71.645 10.593 -29.949 1.00 1.55 C ATOM 1469 CG ASN B 531 72.090 9.659 -31.057 1.00 54.25 C ATOM 1470 OD1 ASN B 531 72.698 8.620 -30.802 1.00 63.14 O ATOM 1471 ND2 ASN B 531 71.785 10.026 -32.297 1.00 21.12 N ATOM 0 H ASN B 531 73.417 12.645 -28.671 1.00 50.32 H new ATOM 0 HA ASN B 531 72.161 12.219 -31.258 1.00 54.32 H new ATOM 0 HB2 ASN B 531 72.044 10.240 -28.998 1.00 1.55 H new ATOM 0 HB3 ASN B 531 70.558 10.565 -29.869 1.00 1.55 H new ATOM 0 HD21 ASN B 531 72.056 9.437 -33.084 1.00 21.12 H new ATOM 0 HD22 ASN B 531 71.279 10.896 -32.461 1.00 21.12 H new ATOM 1478 N ASN B 532 69.837 12.899 -30.035 1.00 22.22 N ATOM 1479 CA ASN B 532 68.772 13.765 -29.543 1.00 1.42 C ATOM 1480 C ASN B 532 67.401 13.195 -29.893 1.00 44.13 C ATOM 1481 O ASN B 532 67.244 12.505 -30.901 1.00 32.50 O ATOM 1482 CB ASN B 532 68.918 15.170 -30.130 1.00 52.44 C ATOM 1483 CG ASN B 532 69.418 15.151 -31.561 1.00 72.53 C ATOM 1484 OD1 ASN B 532 70.602 14.928 -31.814 1.00 72.51 O ATOM 1485 ND2 ASN B 532 68.515 15.383 -32.507 1.00 42.51 N ATOM 0 H ASN B 532 69.540 12.222 -30.738 1.00 22.22 H new ATOM 0 HA ASN B 532 68.855 13.821 -28.458 1.00 1.42 H new ATOM 0 HB2 ASN B 532 67.955 15.678 -30.092 1.00 52.44 H new ATOM 0 HB3 ASN B 532 69.608 15.748 -29.515 1.00 52.44 H new ATOM 0 HD21 ASN B 532 68.793 15.381 -33.489 1.00 42.51 H new ATOM 0 HD22 ASN B 532 67.544 15.563 -32.252 1.00 42.51 H new ATOM 1492 N ILE B 533 66.412 13.488 -29.056 1.00 4.31 N ATOM 1493 CA ILE B 533 65.055 13.007 -29.278 1.00 60.32 C ATOM 1494 C ILE B 533 64.075 14.166 -29.412 1.00 54.13 C ATOM 1495 O ILE B 533 63.979 15.018 -28.527 1.00 12.31 O ATOM 1496 CB ILE B 533 64.590 12.085 -28.135 1.00 51.21 C ATOM 1497 CG1 ILE B 533 64.899 12.724 -26.779 1.00 70.53 C ATOM 1498 CG2 ILE B 533 65.256 10.722 -28.248 1.00 41.24 C ATOM 1499 CD1 ILE B 533 64.604 11.818 -25.604 1.00 11.24 C ATOM 0 H ILE B 533 66.526 14.057 -28.217 1.00 4.31 H new ATOM 0 HA ILE B 533 65.071 12.439 -30.208 1.00 60.32 H new ATOM 0 HB ILE B 533 63.512 11.947 -28.215 1.00 51.21 H new ATOM 0 HG12 ILE B 533 65.950 13.010 -26.752 1.00 70.53 H new ATOM 0 HG13 ILE B 533 64.317 13.640 -26.677 1.00 70.53 H new ATOM 0 HG21 ILE B 533 64.917 10.083 -27.433 1.00 41.24 H new ATOM 0 HG22 ILE B 533 64.991 10.266 -29.202 1.00 41.24 H new ATOM 0 HG23 ILE B 533 66.338 10.840 -28.190 1.00 41.24 H new ATOM 0 HD11 ILE B 533 64.846 12.335 -24.676 1.00 11.24 H new ATOM 0 HD12 ILE B 533 63.547 11.552 -25.606 1.00 11.24 H new ATOM 0 HD13 ILE B 533 65.206 10.913 -25.683 1.00 11.24 H new ATOM 1511 N LEU B 534 63.345 14.193 -30.522 1.00 4.44 N ATOM 1512 CA LEU B 534 62.370 15.248 -30.772 1.00 61.11 C ATOM 1513 C LEU B 534 61.306 15.276 -29.679 1.00 32.54 C ATOM 1514 O LEU B 534 60.714 14.249 -29.347 1.00 62.31 O ATOM 1515 CB LEU B 534 61.709 15.047 -32.137 1.00 2.04 C ATOM 1516 CG LEU B 534 60.703 13.899 -32.232 1.00 60.34 C ATOM 1517 CD1 LEU B 534 59.303 14.388 -31.900 1.00 34.13 C ATOM 1518 CD2 LEU B 534 60.737 13.275 -33.620 1.00 61.30 C ATOM 0 H LEU B 534 63.410 13.496 -31.263 1.00 4.44 H new ATOM 0 HA LEU B 534 62.896 16.203 -30.767 1.00 61.11 H new ATOM 0 HB2 LEU B 534 61.202 15.972 -32.413 1.00 2.04 H new ATOM 0 HB3 LEU B 534 62.492 14.880 -32.877 1.00 2.04 H new ATOM 0 HG LEU B 534 60.981 13.136 -31.505 1.00 60.34 H new ATOM 0 HD11 LEU B 534 58.601 13.558 -31.973 1.00 34.13 H new ATOM 0 HD12 LEU B 534 59.288 14.788 -30.886 1.00 34.13 H new ATOM 0 HD13 LEU B 534 59.014 15.170 -32.603 1.00 34.13 H new ATOM 0 HD21 LEU B 534 60.015 12.460 -33.670 1.00 61.30 H new ATOM 0 HD22 LEU B 534 60.484 14.030 -34.365 1.00 61.30 H new ATOM 0 HD23 LEU B 534 61.736 12.888 -33.821 1.00 61.30 H new ATOM 1530 N LYS B 535 61.067 16.459 -29.123 1.00 14.02 N ATOM 1531 CA LYS B 535 60.072 16.623 -28.069 1.00 64.31 C ATOM 1532 C LYS B 535 58.770 17.183 -28.633 1.00 72.41 C ATOM 1533 O LYS B 535 58.558 18.394 -28.640 1.00 14.31 O ATOM 1534 CB LYS B 535 60.607 17.549 -26.975 1.00 54.24 C ATOM 1535 CG LYS B 535 61.747 16.947 -26.172 1.00 50.42 C ATOM 1536 CD LYS B 535 63.096 17.271 -26.792 1.00 13.13 C ATOM 1537 CE LYS B 535 63.660 18.576 -26.249 1.00 52.33 C ATOM 1538 NZ LYS B 535 64.877 19.006 -26.992 1.00 62.51 N1+ ATOM 0 H LYS B 535 61.549 17.319 -29.385 1.00 14.02 H new ATOM 0 HA LYS B 535 59.869 15.642 -27.639 1.00 64.31 H new ATOM 0 HB2 LYS B 535 60.947 18.479 -27.432 1.00 54.24 H new ATOM 0 HB3 LYS B 535 59.793 17.806 -26.298 1.00 54.24 H new ATOM 0 HG2 LYS B 535 61.714 17.326 -25.151 1.00 50.42 H new ATOM 0 HG3 LYS B 535 61.622 15.866 -26.115 1.00 50.42 H new ATOM 0 HD2 LYS B 535 63.795 16.459 -26.590 1.00 13.13 H new ATOM 0 HD3 LYS B 535 62.993 17.341 -27.875 1.00 13.13 H new ATOM 0 HE2 LYS B 535 62.900 19.355 -26.314 1.00 52.33 H new ATOM 0 HE3 LYS B 535 63.903 18.455 -25.193 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 65.231 19.898 -26.592 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 65.611 18.274 -26.909 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 64.640 19.146 -27.995 1.00 62.51 H new ATOM 1552 N GLN B 536 57.902 16.292 -29.102 1.00 24.12 N ATOM 1553 CA GLN B 536 56.620 16.698 -29.667 1.00 22.34 C ATOM 1554 C GLN B 536 55.464 16.042 -28.920 1.00 62.32 C ATOM 1555 O GLN B 536 55.232 14.839 -29.049 1.00 50.41 O ATOM 1556 CB GLN B 536 56.556 16.336 -31.151 1.00 51.31 C ATOM 1557 CG GLN B 536 57.343 17.283 -32.044 1.00 35.41 C ATOM 1558 CD GLN B 536 56.664 18.629 -32.210 1.00 30.51 C ATOM 1559 OE1 GLN B 536 56.690 19.465 -31.307 1.00 45.21 O ATOM 1560 NE2 GLN B 536 56.051 18.844 -33.368 1.00 61.41 N ATOM 0 H GLN B 536 58.063 15.285 -29.102 1.00 24.12 H new ATOM 0 HA GLN B 536 56.530 17.779 -29.560 1.00 22.34 H new ATOM 0 HB2 GLN B 536 56.936 15.323 -31.286 1.00 51.31 H new ATOM 0 HB3 GLN B 536 55.514 16.331 -31.470 1.00 51.31 H new ATOM 0 HG2 GLN B 536 58.337 17.431 -31.623 1.00 35.41 H new ATOM 0 HG3 GLN B 536 57.477 16.825 -33.024 1.00 35.41 H new ATOM 0 HE21 GLN B 536 56.055 18.122 -34.089 1.00 61.41 H new ATOM 0 HE22 GLN B 536 55.576 19.731 -33.537 1.00 61.41 H new ATOM 1569 N SER B 537 54.742 16.838 -28.140 1.00 14.31 N ATOM 1570 CA SER B 537 53.612 16.333 -27.369 1.00 14.23 C ATOM 1571 C SER B 537 52.743 17.481 -26.863 1.00 74.01 C ATOM 1572 O SER B 537 53.231 18.584 -26.621 1.00 11.11 O ATOM 1573 CB SER B 537 54.106 15.494 -26.188 1.00 13.52 C ATOM 1574 OG SER B 537 55.215 16.109 -25.555 1.00 64.54 O ATOM 0 H SER B 537 54.919 17.836 -28.025 1.00 14.31 H new ATOM 0 HA SER B 537 53.009 15.705 -28.025 1.00 14.23 H new ATOM 0 HB2 SER B 537 53.298 15.363 -25.468 1.00 13.52 H new ATOM 0 HB3 SER B 537 54.387 14.500 -26.536 1.00 13.52 H new ATOM 0 HG SER B 537 55.511 15.555 -24.803 1.00 64.54 H new ATOM 1580 N GLY B 538 51.450 17.212 -26.707 1.00 40.34 N ATOM 1581 CA GLY B 538 50.532 18.231 -26.232 1.00 13.30 C ATOM 1582 C GLY B 538 49.556 18.677 -27.302 1.00 44.23 C ATOM 1583 O GLY B 538 49.165 19.843 -27.348 1.00 4.52 O ATOM 0 H GLY B 538 51.022 16.307 -26.901 1.00 40.34 H new ATOM 0 HA2 GLY B 538 49.977 17.845 -25.377 1.00 13.30 H new ATOM 0 HA3 GLY B 538 51.100 19.092 -25.881 1.00 13.30 H new ATOM 1587 N ALA B 539 49.163 17.748 -28.168 1.00 15.34 N ATOM 1588 CA ALA B 539 48.227 18.052 -29.242 1.00 61.14 C ATOM 1589 C ALA B 539 47.516 16.792 -29.724 1.00 52.01 C ATOM 1590 O ALA B 539 47.904 15.677 -29.374 1.00 53.15 O ATOM 1591 CB ALA B 539 48.951 18.727 -30.398 1.00 63.32 C ATOM 0 H ALA B 539 49.479 16.778 -28.146 1.00 15.34 H new ATOM 0 HA ALA B 539 47.473 18.736 -28.851 1.00 61.14 H new ATOM 0 HB1 ALA B 539 48.239 18.948 -31.193 1.00 63.32 H new ATOM 0 HB2 ALA B 539 49.407 19.654 -30.050 1.00 63.32 H new ATOM 0 HB3 ALA B 539 49.726 18.063 -30.779 1.00 63.32 H new ATOM 1597 N TRP B 540 46.474 16.977 -30.527 1.00 64.23 N ATOM 1598 CA TRP B 540 45.710 15.853 -31.056 1.00 74.22 C ATOM 1599 C TRP B 540 45.208 16.151 -32.465 1.00 14.34 C ATOM 1600 O TRP B 540 45.052 17.311 -32.845 1.00 54.13 O ATOM 1601 CB TRP B 540 44.528 15.537 -30.137 1.00 74.04 C ATOM 1602 CG TRP B 540 44.895 15.515 -28.684 1.00 15.41 C ATOM 1603 CD1 TRP B 540 44.800 16.551 -27.800 1.00 11.20 C ATOM 1604 CD2 TRP B 540 45.414 14.403 -27.948 1.00 44.12 C ATOM 1605 NE1 TRP B 540 45.231 16.151 -26.558 1.00 30.21 N ATOM 1606 CE2 TRP B 540 45.612 14.837 -26.623 1.00 22.41 C ATOM 1607 CE3 TRP B 540 45.732 13.082 -28.279 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 46.113 13.996 -25.632 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 46.228 12.250 -27.295 1.00 24.52 C ATOM 1610 CH2 TRP B 540 46.414 12.708 -25.984 1.00 22.11 C ATOM 0 H TRP B 540 46.139 17.893 -30.826 1.00 64.23 H new ATOM 0 HA TRP B 540 46.369 14.986 -31.101 1.00 74.22 H new ATOM 0 HB2 TRP B 540 43.745 16.279 -30.296 1.00 74.04 H new ATOM 0 HB3 TRP B 540 44.110 14.569 -30.414 1.00 74.04 H new ATOM 0 HD1 TRP B 540 44.439 17.540 -28.041 1.00 11.20 H new ATOM 0 HE1 TRP B 540 45.262 16.737 -25.724 1.00 30.21 H new ATOM 0 HE3 TRP B 540 45.592 12.719 -29.287 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 46.259 14.348 -24.621 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 46.477 11.228 -27.540 1.00 24.52 H new ATOM 0 HH2 TRP B 540 46.802 12.032 -25.237 1.00 22.11 H new ATOM 1621 N SER B 541 44.958 15.097 -33.235 1.00 34.54 N ATOM 1622 CA SER B 541 44.477 15.246 -34.603 1.00 2.20 C ATOM 1623 C SER B 541 44.195 13.886 -35.232 1.00 32.22 C ATOM 1624 O SER B 541 44.692 12.860 -34.768 1.00 42.44 O ATOM 1625 CB SER B 541 45.503 16.007 -35.446 1.00 3.02 C ATOM 1626 OG SER B 541 45.161 15.972 -36.820 1.00 54.44 O ATOM 0 H SER B 541 45.081 14.130 -32.934 1.00 34.54 H new ATOM 0 HA SER B 541 43.547 15.813 -34.575 1.00 2.20 H new ATOM 0 HB2 SER B 541 45.560 17.042 -35.108 1.00 3.02 H new ATOM 0 HB3 SER B 541 46.491 15.570 -35.303 1.00 3.02 H new ATOM 0 HG SER B 541 45.831 16.467 -37.337 1.00 54.44 H new ATOM 1632 N GLY B 542 43.390 13.885 -36.291 1.00 4.53 N ATOM 1633 CA GLY B 542 43.054 12.646 -36.966 1.00 64.24 C ATOM 1634 C GLY B 542 41.717 12.086 -36.520 1.00 5.44 C ATOM 1635 O GLY B 542 40.718 12.209 -37.229 1.00 43.23 O ATOM 0 H GLY B 542 42.965 14.721 -36.693 1.00 4.53 H new ATOM 0 HA2 GLY B 542 43.032 12.817 -38.042 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.835 11.909 -36.776 1.00 64.24 H new ATOM 1639 N ASP B 543 41.699 11.469 -35.344 1.00 11.14 N ATOM 1640 CA ASP B 543 40.475 10.888 -34.804 1.00 52.52 C ATOM 1641 C ASP B 543 39.717 11.907 -33.959 1.00 13.13 C ATOM 1642 O ASP B 543 38.486 11.913 -33.933 1.00 20.02 O ATOM 1643 CB ASP B 543 40.798 9.651 -33.966 1.00 25.25 C ATOM 1644 CG ASP B 543 42.020 9.849 -33.089 1.00 14.33 C ATOM 1645 OD1 ASP B 543 43.130 9.487 -33.529 1.00 4.03 O ATOM 1646 OD2 ASP B 543 41.864 10.366 -31.963 1.00 51.20 O1- ATOM 0 H ASP B 543 42.518 11.358 -34.746 1.00 11.14 H new ATOM 0 HA ASP B 543 39.842 10.594 -35.641 1.00 52.52 H new ATOM 0 HB2 ASP B 543 39.940 9.406 -33.339 1.00 25.25 H new ATOM 0 HB3 ASP B 543 40.963 8.800 -34.627 1.00 25.25 H new ATOM 1651 N ASP B 544 40.460 12.765 -33.270 1.00 15.42 N ATOM 1652 CA ASP B 544 39.857 13.789 -32.422 1.00 51.14 C ATOM 1653 C ASP B 544 38.698 14.475 -33.139 1.00 4.23 C ATOM 1654 O ASP B 544 37.728 14.898 -32.511 1.00 2.42 O ATOM 1655 CB ASP B 544 40.906 14.825 -32.014 1.00 73.54 C ATOM 1656 CG ASP B 544 41.488 14.549 -30.642 1.00 21.23 C ATOM 1657 OD1 ASP B 544 41.570 15.495 -29.830 1.00 50.03 O ATOM 1658 OD2 ASP B 544 41.861 13.387 -30.378 1.00 63.43 O1- ATOM 0 H ASP B 544 41.480 12.773 -33.281 1.00 15.42 H new ATOM 0 HA ASP B 544 39.470 13.303 -31.526 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.709 14.835 -32.751 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.455 15.817 -32.021 1.00 73.54 H new ATOM 1663 N LYS B 545 38.807 14.582 -34.459 1.00 75.25 N ATOM 1664 CA LYS B 545 37.768 15.217 -35.264 1.00 24.24 C ATOM 1665 C LYS B 545 36.389 14.690 -34.884 1.00 33.21 C ATOM 1666 O LYS B 545 35.503 15.457 -34.505 1.00 50.14 O ATOM 1667 CB LYS B 545 38.028 14.973 -36.751 1.00 64.44 C ATOM 1668 CG LYS B 545 38.969 15.987 -37.379 1.00 54.23 C ATOM 1669 CD LYS B 545 40.358 15.910 -36.770 1.00 42.41 C ATOM 1670 CE LYS B 545 41.364 16.722 -37.572 1.00 62.41 C ATOM 1671 NZ LYS B 545 42.472 17.233 -36.718 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.604 14.238 -34.995 1.00 75.25 H new ATOM 0 HA LYS B 545 37.794 16.289 -35.068 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.446 13.974 -36.879 1.00 64.44 H new ATOM 0 HB3 LYS B 545 37.078 14.992 -37.285 1.00 64.44 H new ATOM 0 HG2 LYS B 545 39.031 15.811 -38.453 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.566 16.991 -37.244 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.328 16.277 -35.744 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.680 14.870 -36.727 1.00 42.41 H new ATOM 0 HE2 LYS B 545 41.776 16.104 -38.370 1.00 62.41 H new ATOM 0 HE3 LYS B 545 40.856 17.561 -38.048 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 42.665 18.227 -36.957 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 42.199 17.164 -35.717 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 43.328 16.665 -36.883 1.00 40.23 H new ATOM 1685 N LEU B 546 36.213 13.378 -34.986 1.00 71.42 N ATOM 1686 CA LEU B 546 34.940 12.748 -34.652 1.00 33.24 C ATOM 1687 C LEU B 546 34.917 12.305 -33.192 1.00 5.43 C ATOM 1688 O LEU B 546 33.870 12.320 -32.545 1.00 43.24 O ATOM 1689 CB LEU B 546 34.688 11.546 -35.564 1.00 40.40 C ATOM 1690 CG LEU B 546 35.717 10.418 -35.488 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.383 9.467 -34.349 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.784 9.667 -36.810 1.00 60.44 C ATOM 0 H LEU B 546 36.936 12.729 -35.297 1.00 71.42 H new ATOM 0 HA LEU B 546 34.150 13.483 -34.802 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.708 11.133 -35.325 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.642 11.900 -36.594 1.00 40.40 H new ATOM 0 HG LEU B 546 36.695 10.857 -35.293 1.00 10.12 H new ATOM 0 HD11 LEU B 546 36.126 8.671 -34.310 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.387 10.013 -33.406 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.396 9.035 -34.514 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.522 8.868 -36.737 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.807 9.240 -37.036 1.00 60.44 H new ATOM 0 HD23 LEU B 546 36.072 10.355 -37.605 1.00 60.44 H new ATOM 1704 N GLN B 547 36.080 11.916 -32.679 1.00 42.22 N ATOM 1705 CA GLN B 547 36.194 11.472 -31.296 1.00 10.14 C ATOM 1706 C GLN B 547 35.523 12.463 -30.348 1.00 64.45 C ATOM 1707 O GLN B 547 34.773 12.072 -29.455 1.00 15.25 O ATOM 1708 CB GLN B 547 37.664 11.297 -30.912 1.00 1.31 C ATOM 1709 CG GLN B 547 37.924 10.090 -30.027 1.00 14.25 C ATOM 1710 CD GLN B 547 39.303 10.111 -29.400 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.273 9.632 -29.988 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.400 10.669 -28.198 1.00 30.11 N ATOM 0 H GLN B 547 36.956 11.900 -33.201 1.00 42.22 H new ATOM 0 HA GLN B 547 35.687 10.511 -31.208 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.259 11.205 -31.820 1.00 1.31 H new ATOM 0 HB3 GLN B 547 38.005 12.195 -30.397 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.172 10.053 -29.239 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.812 9.181 -30.617 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.571 11.054 -27.746 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.304 10.712 -27.727 1.00 30.11 H new ATOM 1721 N LYS B 548 35.800 13.746 -30.552 1.00 13.42 N ATOM 1722 CA LYS B 548 35.223 14.794 -29.718 1.00 2.43 C ATOM 1723 C LYS B 548 33.709 14.636 -29.615 1.00 11.31 C ATOM 1724 O LYS B 548 33.147 14.654 -28.520 1.00 25.34 O ATOM 1725 CB LYS B 548 35.565 16.172 -30.286 1.00 44.51 C ATOM 1726 CG LYS B 548 35.220 16.327 -31.757 1.00 74.23 C ATOM 1727 CD LYS B 548 36.078 17.389 -32.423 1.00 50.13 C ATOM 1728 CE LYS B 548 35.885 18.751 -31.773 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.698 19.805 -32.441 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.420 14.085 -31.287 1.00 13.42 H new ATOM 0 HA LYS B 548 35.649 14.704 -28.719 1.00 2.43 H new ATOM 0 HB2 LYS B 548 35.033 16.933 -29.715 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.630 16.357 -30.150 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.359 15.374 -32.267 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.168 16.592 -31.859 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.128 17.101 -32.362 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.826 17.451 -33.482 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.831 19.026 -31.812 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.160 18.693 -30.720 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.539 20.718 -31.969 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.706 19.556 -32.381 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.418 19.878 -33.440 1.00 32.25 H new ATOM 1743 N TRP B 549 33.056 14.482 -30.761 1.00 35.00 N ATOM 1744 CA TRP B 549 31.607 14.319 -30.798 1.00 23.03 C ATOM 1745 C TRP B 549 31.176 13.094 -30.000 1.00 60.44 C ATOM 1746 O TRP B 549 30.408 13.202 -29.044 1.00 13.42 O ATOM 1747 CB TRP B 549 31.124 14.197 -32.245 1.00 1.00 C ATOM 1748 CG TRP B 549 31.499 15.372 -33.097 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.706 15.597 -33.697 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.664 16.482 -33.443 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.670 16.779 -34.394 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.429 17.342 -34.255 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.344 16.832 -33.147 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.917 18.528 -34.772 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.837 18.010 -33.660 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.621 18.846 -34.466 1.00 4.25 C ATOM 0 H TRP B 549 33.506 14.467 -31.676 1.00 35.00 H new ATOM 0 HA TRP B 549 31.155 15.201 -30.345 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.541 13.291 -32.685 1.00 1.00 H new ATOM 0 HB3 TRP B 549 30.040 14.084 -32.250 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.562 14.942 -33.632 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.443 17.174 -34.929 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.731 16.193 -32.528 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.520 19.174 -35.392 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.819 18.292 -33.436 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.194 19.759 -34.854 1.00 4.25 H new ATOM 1767 N VAL B 550 31.674 11.928 -30.399 1.00 65.43 N ATOM 1768 CA VAL B 550 31.341 10.681 -29.719 1.00 41.32 C ATOM 1769 C VAL B 550 31.617 10.781 -28.223 1.00 70.33 C ATOM 1770 O VAL B 550 30.733 10.540 -27.402 1.00 22.45 O ATOM 1771 CB VAL B 550 32.134 9.496 -30.300 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.700 8.192 -29.648 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.963 9.430 -31.811 1.00 22.45 C ATOM 0 H VAL B 550 32.309 11.820 -31.190 1.00 65.43 H new ATOM 0 HA VAL B 550 30.277 10.507 -29.878 1.00 41.32 H new ATOM 0 HB VAL B 550 33.191 9.648 -30.084 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.271 7.366 -30.071 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.880 8.245 -28.574 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.638 8.030 -29.831 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.530 8.587 -32.205 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.908 9.302 -32.053 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.328 10.354 -32.259 1.00 22.45 H new ATOM 1783 N ARG B 551 32.850 11.136 -27.878 1.00 22.31 N ATOM 1784 CA ARG B 551 33.244 11.265 -26.480 1.00 13.54 C ATOM 1785 C ARG B 551 32.198 12.049 -25.691 1.00 30.45 C ATOM 1786 O ARG B 551 31.857 11.688 -24.564 1.00 43.25 O ATOM 1787 CB ARG B 551 34.603 11.960 -26.374 1.00 20.34 C ATOM 1788 CG ARG B 551 35.410 11.536 -25.156 1.00 75.53 C ATOM 1789 CD ARG B 551 35.082 12.395 -23.945 1.00 51.12 C ATOM 1790 NE ARG B 551 36.025 12.179 -22.850 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.183 13.027 -21.840 1.00 23.44 C ATOM 1792 NH1 ARG B 551 35.466 14.141 -21.785 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.062 12.761 -20.881 1.00 20.42 N ATOM 0 H ARG B 551 33.593 11.339 -28.547 1.00 22.31 H new ATOM 0 HA ARG B 551 33.320 10.264 -26.056 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.181 11.749 -27.274 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.449 13.038 -26.340 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.205 10.490 -24.928 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.474 11.611 -25.379 1.00 75.53 H new ATOM 0 HD2 ARG B 551 35.094 13.446 -24.232 1.00 51.12 H new ATOM 0 HD3 ARG B 551 34.072 12.170 -23.603 1.00 51.12 H new ATOM 0 HE ARG B 551 36.592 11.331 -22.862 1.00 55.05 H new ATOM 0 HH11 ARG B 551 34.790 14.349 -22.520 1.00 74.33 H new ATOM 0 HH12 ARG B 551 35.590 14.790 -21.008 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.616 11.905 -20.920 1.00 20.42 H new ATOM 0 HH22 ARG B 551 37.183 13.412 -20.105 1.00 20.42 H new ATOM 1807 N VAL B 552 31.694 13.123 -26.290 1.00 73.21 N ATOM 1808 CA VAL B 552 30.688 13.956 -25.644 1.00 53.54 C ATOM 1809 C VAL B 552 29.344 13.239 -25.571 1.00 31.11 C ATOM 1810 O VAL B 552 28.611 13.371 -24.591 1.00 31.43 O ATOM 1811 CB VAL B 552 30.503 15.292 -26.390 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.385 16.107 -25.756 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.806 16.078 -26.404 1.00 14.55 C ATOM 0 H VAL B 552 31.966 13.436 -27.222 1.00 73.21 H new ATOM 0 HA VAL B 552 31.045 14.157 -24.634 1.00 53.54 H new ATOM 0 HB VAL B 552 30.223 15.078 -27.421 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.269 17.047 -26.296 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.453 15.544 -25.803 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.632 16.315 -24.715 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.658 17.019 -26.935 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.118 16.284 -25.380 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.577 15.495 -26.907 1.00 14.55 H new ATOM 1823 N TYR B 553 29.027 12.479 -26.614 1.00 3.04 N ATOM 1824 CA TYR B 553 27.772 11.741 -26.668 1.00 51.43 C ATOM 1825 C TYR B 553 27.660 10.768 -25.499 1.00 23.41 C ATOM 1826 O TYR B 553 26.616 10.672 -24.852 1.00 65.22 O ATOM 1827 CB TYR B 553 27.659 10.981 -27.991 1.00 50.50 C ATOM 1828 CG TYR B 553 27.300 9.522 -27.824 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.996 9.135 -27.543 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.267 8.531 -27.943 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.663 7.804 -27.389 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.943 7.197 -27.792 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.641 6.838 -27.514 1.00 52.22 C ATOM 1834 OH TYR B 553 26.314 5.509 -27.361 1.00 2.33 O ATOM 0 H TYR B 553 29.623 12.359 -27.433 1.00 3.04 H new ATOM 0 HA TYR B 553 26.955 12.459 -26.598 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.905 11.463 -28.613 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.607 11.054 -28.524 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.229 9.889 -27.443 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.289 8.809 -28.157 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.644 7.520 -27.172 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.706 6.439 -27.891 1.00 34.42 H new ATOM 0 HH TYR B 553 25.386 5.366 -27.642 1.00 2.33 H new ATOM 1844 N LEU B 554 28.744 10.046 -25.233 1.00 55.44 N ATOM 1845 CA LEU B 554 28.770 9.080 -24.141 1.00 42.23 C ATOM 1846 C LEU B 554 29.036 9.771 -22.807 1.00 53.42 C ATOM 1847 O LEU B 554 28.604 9.300 -21.756 1.00 74.44 O ATOM 1848 CB LEU B 554 29.841 8.018 -24.399 1.00 44.44 C ATOM 1849 CG LEU B 554 31.214 8.539 -24.826 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.255 8.234 -23.762 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.621 7.937 -26.163 1.00 32.42 C ATOM 0 H LEU B 554 29.616 10.112 -25.759 1.00 55.44 H new ATOM 0 HA LEU B 554 27.793 8.599 -24.092 1.00 42.23 H new ATOM 0 HB2 LEU B 554 29.965 7.428 -23.491 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.475 7.342 -25.171 1.00 44.44 H new ATOM 0 HG LEU B 554 31.151 9.621 -24.942 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.225 8.612 -24.083 1.00 24.32 H new ATOM 0 HD12 LEU B 554 31.970 8.715 -22.826 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.317 7.156 -23.612 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.600 8.319 -26.451 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.667 6.852 -26.075 1.00 32.42 H new ATOM 0 HD23 LEU B 554 30.888 8.209 -26.923 1.00 32.42 H new ATOM 1863 N ASP B 555 29.746 10.893 -22.859 1.00 73.25 N ATOM 1864 CA ASP B 555 30.065 11.652 -21.657 1.00 31.31 C ATOM 1865 C ASP B 555 28.824 12.348 -21.107 1.00 23.23 C ATOM 1866 O ASP B 555 28.680 12.517 -19.897 1.00 34.14 O ATOM 1867 CB ASP B 555 31.155 12.684 -21.953 1.00 72.13 C ATOM 1868 CG ASP B 555 31.548 13.480 -20.724 1.00 53.31 C ATOM 1869 OD1 ASP B 555 31.948 12.859 -19.717 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.457 14.724 -20.770 1.00 21.01 O1- ATOM 0 H ASP B 555 30.111 11.296 -23.722 1.00 73.25 H new ATOM 0 HA ASP B 555 30.431 10.954 -20.904 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.034 12.176 -22.350 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.805 13.366 -22.727 1.00 72.13 H new ATOM 1875 N ARG B 556 27.931 12.750 -22.006 1.00 10.54 N ATOM 1876 CA ARG B 556 26.704 13.430 -21.611 1.00 54.44 C ATOM 1877 C ARG B 556 25.592 12.425 -21.328 1.00 72.41 C ATOM 1878 O ARG B 556 24.740 12.650 -20.469 1.00 3.24 O ATOM 1879 CB ARG B 556 26.260 14.403 -22.706 1.00 35.13 C ATOM 1880 CG ARG B 556 25.933 13.725 -24.027 1.00 22.30 C ATOM 1881 CD ARG B 556 24.445 13.441 -24.154 1.00 71.10 C ATOM 1882 NE ARG B 556 24.179 12.276 -24.994 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.028 12.071 -25.624 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.040 12.947 -25.508 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.863 10.987 -26.371 1.00 21.52 N ATOM 0 H ARG B 556 28.035 12.616 -23.012 1.00 10.54 H new ATOM 0 HA ARG B 556 26.906 13.989 -20.697 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.382 14.949 -22.361 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.049 15.137 -22.870 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.255 14.360 -24.852 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.491 12.792 -24.106 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.021 13.277 -23.163 1.00 71.10 H new ATOM 0 HD3 ARG B 556 23.944 14.313 -24.575 1.00 71.10 H new ATOM 0 HE ARG B 556 24.918 11.582 -25.103 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.163 13.781 -24.934 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.157 12.787 -25.993 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.621 10.310 -26.462 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.979 10.831 -26.854 1.00 21.52 H new ATOM 1899 N GLY B 557 25.607 11.313 -22.057 1.00 54.40 N ATOM 1900 CA GLY B 557 24.595 10.289 -21.869 1.00 51.20 C ATOM 1901 C GLY B 557 24.521 9.804 -20.435 1.00 73.35 C ATOM 1902 O GLY B 557 23.589 10.143 -19.706 1.00 64.24 O ATOM 0 H GLY B 557 26.301 11.103 -22.774 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.623 10.684 -22.166 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.810 9.445 -22.524 1.00 51.20 H new ATOM 1906 N GLN B 558 25.504 9.006 -20.032 1.00 30.44 N ATOM 1907 CA GLN B 558 25.544 8.470 -18.676 1.00 71.33 C ATOM 1908 C GLN B 558 26.954 8.551 -18.100 1.00 54.22 C ATOM 1909 O GLN B 558 27.149 9.016 -16.977 1.00 65.12 O ATOM 1910 CB GLN B 558 25.058 7.020 -18.663 1.00 32.20 C ATOM 1911 CG GLN B 558 25.498 6.219 -19.879 1.00 10.50 C ATOM 1912 CD GLN B 558 24.979 4.795 -19.859 1.00 44.43 C ATOM 1913 OE1 GLN B 558 25.731 3.846 -20.085 1.00 32.15 O ATOM 1914 NE2 GLN B 558 23.688 4.639 -19.590 1.00 2.10 N ATOM 0 H GLN B 558 26.283 8.716 -20.624 1.00 30.44 H new ATOM 0 HA GLN B 558 24.882 9.073 -18.055 1.00 71.33 H new ATOM 0 HB2 GLN B 558 25.428 6.530 -17.762 1.00 32.20 H new ATOM 0 HB3 GLN B 558 23.969 7.011 -18.607 1.00 32.20 H new ATOM 0 HG2 GLN B 558 25.148 6.717 -20.783 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.587 6.204 -19.925 1.00 10.50 H new ATOM 0 HE21 GLN B 558 23.103 5.454 -19.409 1.00 2.10 H new ATOM 0 HE22 GLN B 558 23.282 3.704 -19.564 1.00 2.10 H new ATOM 1923 N GLU B 559 27.933 8.097 -18.876 1.00 54.14 N ATOM 1924 CA GLU B 559 29.324 8.118 -18.441 1.00 64.14 C ATOM 1925 C GLU B 559 30.252 7.664 -19.564 1.00 45.44 C ATOM 1926 O GLU B 559 29.798 7.285 -20.644 1.00 54.24 O ATOM 1927 CB GLU B 559 29.512 7.221 -17.216 1.00 42.30 C ATOM 1928 CG GLU B 559 29.367 5.738 -17.519 1.00 15.30 C ATOM 1929 CD GLU B 559 29.562 4.871 -16.291 1.00 15.40 C ATOM 1930 OE1 GLU B 559 30.294 3.865 -16.384 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.979 5.200 -15.235 1.00 61.43 O1- ATOM 0 H GLU B 559 27.788 7.710 -19.809 1.00 54.14 H new ATOM 0 HA GLU B 559 29.579 9.144 -18.174 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.500 7.402 -16.792 1.00 42.30 H new ATOM 0 HB3 GLU B 559 28.783 7.501 -16.456 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.378 5.551 -17.938 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.094 5.453 -18.280 1.00 15.30 H new ATOM 1938 N ALA B 560 31.554 7.705 -19.303 1.00 3.04 N ATOM 1939 CA ALA B 560 32.546 7.298 -20.289 1.00 50.04 C ATOM 1940 C ALA B 560 32.448 5.805 -20.582 1.00 31.25 C ATOM 1941 O ALA B 560 31.888 5.043 -19.792 1.00 10.24 O ATOM 1942 CB ALA B 560 33.945 7.653 -19.809 1.00 41.05 C ATOM 0 H ALA B 560 31.947 8.017 -18.415 1.00 3.04 H new ATOM 0 HA ALA B 560 32.344 7.837 -21.214 1.00 50.04 H new ATOM 0 HB1 ALA B 560 34.676 7.343 -20.556 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.015 8.730 -19.658 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.148 7.141 -18.869 1.00 41.05 H new ATOM 1948 N ILE B 561 32.995 5.392 -21.720 1.00 73.03 N ATOM 1949 CA ILE B 561 32.969 3.989 -22.116 1.00 2.23 C ATOM 1950 C ILE B 561 34.147 3.652 -23.024 1.00 30.44 C ATOM 1951 O ILE B 561 34.419 4.358 -23.994 1.00 42.35 O ATOM 1952 CB ILE B 561 31.658 3.633 -22.840 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.338 4.683 -23.907 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.515 3.519 -21.843 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.277 4.241 -24.890 1.00 63.22 C ATOM 0 H ILE B 561 33.462 6.009 -22.385 1.00 73.03 H new ATOM 0 HA ILE B 561 33.040 3.401 -21.201 1.00 2.23 H new ATOM 0 HB ILE B 561 31.783 2.668 -23.331 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.009 5.599 -23.417 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.250 4.924 -24.453 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.595 3.267 -22.371 1.00 51.43 H new ATOM 0 HG22 ILE B 561 30.742 2.739 -21.117 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.387 4.470 -21.326 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.101 5.034 -25.617 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.612 3.342 -25.408 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.352 4.028 -24.355 1.00 63.22 H new ATOM 1967 N LYS B 562 34.843 2.567 -22.702 1.00 34.53 N ATOM 1968 CA LYS B 562 35.989 2.131 -23.489 1.00 5.33 C ATOM 1969 C LYS B 562 36.084 0.609 -23.518 1.00 3.44 C ATOM 1970 O LYS B 562 35.821 -0.057 -22.518 1.00 74.43 O ATOM 1971 CB LYS B 562 37.281 2.722 -22.917 1.00 55.54 C ATOM 1972 CG LYS B 562 37.640 4.077 -23.502 1.00 23.25 C ATOM 1973 CD LYS B 562 38.493 3.936 -24.751 1.00 61.12 C ATOM 1974 CE LYS B 562 37.635 3.841 -26.004 1.00 62.12 C ATOM 1975 NZ LYS B 562 38.330 4.400 -27.197 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.632 1.973 -21.900 1.00 34.53 H new ATOM 0 HA LYS B 562 35.853 2.488 -24.510 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.180 2.817 -21.836 1.00 55.54 H new ATOM 0 HB3 LYS B 562 38.101 2.028 -23.100 1.00 55.54 H new ATOM 0 HG2 LYS B 562 36.728 4.624 -23.743 1.00 23.25 H new ATOM 0 HG3 LYS B 562 38.177 4.665 -22.758 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.165 4.791 -24.833 1.00 61.12 H new ATOM 0 HD3 LYS B 562 39.117 3.046 -24.668 1.00 61.12 H new ATOM 0 HE2 LYS B 562 37.378 2.798 -26.189 1.00 62.12 H new ATOM 0 HE3 LYS B 562 36.699 4.377 -25.845 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 37.712 4.316 -28.029 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 38.553 5.402 -27.031 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 39.210 3.872 -27.365 1.00 35.51 H new TER 1989 LYS B 562