USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O6 : rot -67:sc= -0.0968 USER MOD Set 1.2: A 123 BGC O6 : rot 58:sc= 1.01 USER MOD Set 2.1: A 121 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 122 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 4.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 5.1: A 110 SER OG : rot -170:sc= 0 USER MOD Set 5.2: A 112 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-5.5!) USER MOD Set 6.1: A 34 GLN : amide:sc= -6.03! C(o=-4.8!,f=-9.5!) USER MOD Set 6.2: A 68 THR OG1 : rot 172:sc= 1.25 USER MOD Set 7.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 36 GLN :FLIP amide:sc= -1.51 F(o=-3.5!,f=-1.5) USER MOD Single : A 1 ASP N :NH3+ -160:sc= 0 (180deg=-0.287) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= 0.605 (180deg=-0.00602) USER MOD Single : A 7 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.75) USER MOD Single : A 14 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.43) USER MOD Single : A 15 LYS NZ :NH3+ -113:sc= -0.107 (180deg=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -2.61 F(o=-3.5,f=-2.6) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 38 SER OG : rot 180:sc= -0.24 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.0208 (180deg=-0.0495) USER MOD Single : A 44 SER OG : rot 74:sc= -1.06 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.91) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 55 GLN : amide:sc=-0.000656 X(o=-0.00066,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 64 THR OG1 : rot -47:sc= 1.13 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -3.28 F(o=-3.9!,f=-3.3) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= -0.161 (180deg=-0.686) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 67:sc= 0.396 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -160:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 101 ASN : amide:sc= 0.122 K(o=0.12,f=-3.3!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.46 X(o=-0.46,f=0.011) USER MOD Single : A 114 HIS : no HE2:sc= 0.172 K(o=0.17,f=-0.8) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -18:sc= 0.385 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 170:sc=0.000771 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.274 -0.224 -2.551 1.00 14.00 N ATOM 2 CA ASP A 1 2.285 0.234 -1.605 1.00 41.01 C ATOM 3 C ASP A 1 2.593 1.715 -1.814 1.00 75.50 C ATOM 4 O ASP A 1 2.579 2.210 -2.940 1.00 60.41 O ATOM 5 CB ASP A 1 3.564 -0.590 -1.753 1.00 25.50 C ATOM 6 CG ASP A 1 3.292 -2.082 -1.771 1.00 61.22 C ATOM 7 OD1 ASP A 1 2.384 -2.528 -1.038 1.00 62.31 O ATOM 8 OD2 ASP A 1 3.987 -2.802 -2.517 1.00 70.24 O ATOM 0 H1 ASP A 1 0.836 -1.098 -2.195 1.00 14.00 H new ATOM 0 H2 ASP A 1 0.544 0.509 -2.661 1.00 14.00 H new ATOM 0 H3 ASP A 1 1.719 -0.410 -3.472 1.00 14.00 H new ATOM 0 HA ASP A 1 1.891 0.101 -0.598 1.00 41.01 H new ATOM 0 HB2 ASP A 1 4.072 -0.305 -2.674 1.00 25.50 H new ATOM 0 HB3 ASP A 1 4.240 -0.357 -0.931 1.00 25.50 H new ATOM 13 N VAL A 2 2.868 2.416 -0.719 1.00 20.54 N ATOM 14 CA VAL A 2 3.180 3.839 -0.781 1.00 74.12 C ATOM 15 C VAL A 2 4.480 4.150 -0.051 1.00 45.20 C ATOM 16 O VAL A 2 4.861 3.447 0.886 1.00 10.50 O ATOM 17 CB VAL A 2 2.047 4.687 -0.173 1.00 41.50 C ATOM 18 CG1 VAL A 2 1.865 4.359 1.301 1.00 4.14 C ATOM 19 CG2 VAL A 2 2.330 6.170 -0.366 1.00 3.20 C ATOM 0 H VAL A 2 2.881 2.022 0.222 1.00 20.54 H new ATOM 0 HA VAL A 2 3.290 4.093 -1.835 1.00 74.12 H new ATOM 0 HB VAL A 2 1.119 4.446 -0.691 1.00 41.50 H new ATOM 0 HG11 VAL A 2 1.060 4.968 1.713 1.00 4.14 H new ATOM 0 HG12 VAL A 2 1.614 3.304 1.411 1.00 4.14 H new ATOM 0 HG13 VAL A 2 2.790 4.569 1.838 1.00 4.14 H new ATOM 0 HG21 VAL A 2 1.520 6.755 0.069 1.00 3.20 H new ATOM 0 HG22 VAL A 2 3.268 6.428 0.125 1.00 3.20 H new ATOM 0 HG23 VAL A 2 2.405 6.391 -1.431 1.00 3.20 H new ATOM 29 N ILE A 3 5.159 5.206 -0.486 1.00 23.23 N ATOM 30 CA ILE A 3 6.418 5.611 0.127 1.00 31.44 C ATOM 31 C ILE A 3 6.367 7.067 0.576 1.00 0.22 C ATOM 32 O ILE A 3 5.682 7.891 -0.030 1.00 15.03 O ATOM 33 CB ILE A 3 7.602 5.425 -0.840 1.00 71.33 C ATOM 34 CG1 ILE A 3 7.543 4.042 -1.492 1.00 31.14 C ATOM 35 CG2 ILE A 3 8.920 5.616 -0.107 1.00 3.11 C ATOM 36 CD1 ILE A 3 8.725 3.746 -2.389 1.00 71.41 C ATOM 0 H ILE A 3 4.858 5.797 -1.261 1.00 23.23 H new ATOM 0 HA ILE A 3 6.566 4.970 0.996 1.00 31.44 H new ATOM 0 HB ILE A 3 7.534 6.179 -1.624 1.00 71.33 H new ATOM 0 HG12 ILE A 3 7.491 3.283 -0.711 1.00 31.14 H new ATOM 0 HG13 ILE A 3 6.626 3.963 -2.075 1.00 31.14 H new ATOM 0 HG21 ILE A 3 9.747 5.481 -0.804 1.00 3.11 H new ATOM 0 HG22 ILE A 3 8.960 6.621 0.314 1.00 3.11 H new ATOM 0 HG23 ILE A 3 8.999 4.883 0.696 1.00 3.11 H new ATOM 0 HD11 ILE A 3 8.616 2.749 -2.817 1.00 71.41 H new ATOM 0 HD12 ILE A 3 8.767 4.483 -3.191 1.00 71.41 H new ATOM 0 HD13 ILE A 3 9.645 3.792 -1.806 1.00 71.41 H new ATOM 48 N ILE A 4 7.098 7.378 1.641 1.00 25.12 N ATOM 49 CA ILE A 4 7.140 8.735 2.170 1.00 52.24 C ATOM 50 C ILE A 4 8.457 9.422 1.822 1.00 33.53 C ATOM 51 O ILE A 4 9.487 9.163 2.444 1.00 52.52 O ATOM 52 CB ILE A 4 6.954 8.750 3.698 1.00 11.53 C ATOM 53 CG1 ILE A 4 5.516 8.375 4.063 1.00 24.52 C ATOM 54 CG2 ILE A 4 7.308 10.119 4.262 1.00 33.20 C ATOM 55 CD1 ILE A 4 5.291 8.218 5.551 1.00 61.12 C ATOM 0 H ILE A 4 7.670 6.708 2.155 1.00 25.12 H new ATOM 0 HA ILE A 4 6.317 9.279 1.707 1.00 52.24 H new ATOM 0 HB ILE A 4 7.625 8.012 4.137 1.00 11.53 H new ATOM 0 HG12 ILE A 4 4.841 9.141 3.681 1.00 24.52 H new ATOM 0 HG13 ILE A 4 5.255 7.442 3.564 1.00 24.52 H new ATOM 0 HG21 ILE A 4 7.171 10.113 5.343 1.00 33.20 H new ATOM 0 HG22 ILE A 4 8.347 10.351 4.029 1.00 33.20 H new ATOM 0 HG23 ILE A 4 6.659 10.874 3.818 1.00 33.20 H new ATOM 0 HD11 ILE A 4 4.250 7.952 5.736 1.00 61.12 H new ATOM 0 HD12 ILE A 4 5.940 7.432 5.936 1.00 61.12 H new ATOM 0 HD13 ILE A 4 5.520 9.157 6.055 1.00 61.12 H new ATOM 67 N LYS A 5 8.415 10.298 0.825 1.00 5.51 N ATOM 68 CA LYS A 5 9.603 11.026 0.396 1.00 65.35 C ATOM 69 C LYS A 5 9.309 12.516 0.256 1.00 10.03 C ATOM 70 O LYS A 5 8.161 12.935 0.109 1.00 11.15 O ATOM 71 CB LYS A 5 10.114 10.469 -0.937 1.00 15.25 C ATOM 72 CG LYS A 5 9.003 10.060 -1.890 1.00 1.34 C ATOM 73 CD LYS A 5 8.783 8.557 -1.875 1.00 51.44 C ATOM 74 CE LYS A 5 9.939 7.818 -2.529 1.00 50.04 C ATOM 75 NZ LYS A 5 9.899 7.926 -4.014 1.00 53.12 N ATOM 0 H LYS A 5 7.571 10.521 0.298 1.00 5.51 H new ATOM 0 HA LYS A 5 10.372 10.896 1.157 1.00 65.35 H new ATOM 0 HB2 LYS A 5 10.738 11.221 -1.420 1.00 15.25 H new ATOM 0 HB3 LYS A 5 10.750 9.606 -0.741 1.00 15.25 H new ATOM 0 HG2 LYS A 5 8.079 10.567 -1.612 1.00 1.34 H new ATOM 0 HG3 LYS A 5 9.252 10.382 -2.901 1.00 1.34 H new ATOM 0 HD2 LYS A 5 8.667 8.216 -0.846 1.00 51.44 H new ATOM 0 HD3 LYS A 5 7.856 8.319 -2.396 1.00 51.44 H new ATOM 0 HE2 LYS A 5 10.882 8.222 -2.161 1.00 50.04 H new ATOM 0 HE3 LYS A 5 9.908 6.767 -2.241 1.00 50.04 H new ATOM 0 HZ1 LYS A 5 10.260 7.047 -4.436 1.00 53.12 H new ATOM 0 HZ2 LYS A 5 8.919 8.082 -4.324 1.00 53.12 H new ATOM 0 HZ3 LYS A 5 10.490 8.725 -4.320 1.00 53.12 H new ATOM 89 N PRO A 6 10.370 13.336 0.302 1.00 71.04 N ATOM 90 CA PRO A 6 10.249 14.793 0.180 1.00 62.40 C ATOM 91 C PRO A 6 9.850 15.226 -1.226 1.00 44.05 C ATOM 92 O PRO A 6 9.422 14.407 -2.040 1.00 15.04 O ATOM 93 CB PRO A 6 11.657 15.293 0.515 1.00 40.40 C ATOM 94 CG PRO A 6 12.555 14.153 0.180 1.00 33.32 C ATOM 95 CD PRO A 6 11.767 12.906 0.474 1.00 25.41 C ATOM 0 HA PRO A 6 9.472 15.194 0.831 1.00 62.40 H new ATOM 0 HB2 PRO A 6 11.910 16.180 -0.066 1.00 40.40 H new ATOM 0 HB3 PRO A 6 11.740 15.566 1.567 1.00 40.40 H new ATOM 0 HG2 PRO A 6 12.855 14.187 -0.867 1.00 33.32 H new ATOM 0 HG3 PRO A 6 13.468 14.187 0.775 1.00 33.32 H new ATOM 0 HD2 PRO A 6 12.025 12.097 -0.209 1.00 25.41 H new ATOM 0 HD3 PRO A 6 11.954 12.542 1.484 1.00 25.41 H new ATOM 103 N GLN A 7 9.995 16.517 -1.506 1.00 53.23 N ATOM 104 CA GLN A 7 9.648 17.059 -2.814 1.00 64.32 C ATOM 105 C GLN A 7 10.779 17.922 -3.363 1.00 54.51 C ATOM 106 O GLN A 7 10.635 18.565 -4.403 1.00 72.32 O ATOM 107 CB GLN A 7 8.360 17.878 -2.727 1.00 32.01 C ATOM 108 CG GLN A 7 8.273 18.742 -1.480 1.00 14.45 C ATOM 109 CD GLN A 7 7.733 17.986 -0.281 1.00 13.21 C ATOM 110 OE1 GLN A 7 6.630 17.440 -0.322 1.00 41.24 O ATOM 111 NE2 GLN A 7 8.510 17.949 0.796 1.00 42.14 N ATOM 0 H GLN A 7 10.350 17.207 -0.844 1.00 53.23 H new ATOM 0 HA GLN A 7 9.491 16.223 -3.495 1.00 64.32 H new ATOM 0 HB2 GLN A 7 8.285 18.516 -3.607 1.00 32.01 H new ATOM 0 HB3 GLN A 7 7.506 17.201 -2.750 1.00 32.01 H new ATOM 0 HG2 GLN A 7 9.263 19.132 -1.243 1.00 14.45 H new ATOM 0 HG3 GLN A 7 7.632 19.601 -1.682 1.00 14.45 H new ATOM 0 HE21 GLN A 7 9.417 18.415 0.787 1.00 42.14 H new ATOM 0 HE22 GLN A 7 8.199 17.454 1.632 1.00 42.14 H new ATOM 120 N VAL A 8 11.904 17.936 -2.655 1.00 32.23 N ATOM 121 CA VAL A 8 13.059 18.721 -3.070 1.00 64.53 C ATOM 122 C VAL A 8 14.358 18.083 -2.591 1.00 64.13 C ATOM 123 O VAL A 8 14.343 17.099 -1.853 1.00 22.41 O ATOM 124 CB VAL A 8 12.981 20.163 -2.536 1.00 14.22 C ATOM 125 CG1 VAL A 8 11.776 20.884 -3.120 1.00 74.24 C ATOM 126 CG2 VAL A 8 12.928 20.164 -1.016 1.00 13.33 C ATOM 0 H VAL A 8 12.039 17.412 -1.791 1.00 32.23 H new ATOM 0 HA VAL A 8 13.049 18.745 -4.160 1.00 64.53 H new ATOM 0 HB VAL A 8 13.879 20.697 -2.847 1.00 14.22 H new ATOM 0 HG11 VAL A 8 11.737 21.902 -2.731 1.00 74.24 H new ATOM 0 HG12 VAL A 8 11.861 20.914 -4.206 1.00 74.24 H new ATOM 0 HG13 VAL A 8 10.865 20.354 -2.842 1.00 74.24 H new ATOM 0 HG21 VAL A 8 12.873 21.191 -0.655 1.00 13.33 H new ATOM 0 HG22 VAL A 8 12.048 19.614 -0.682 1.00 13.33 H new ATOM 0 HG23 VAL A 8 13.825 19.688 -0.620 1.00 13.33 H new ATOM 136 N SER A 9 15.483 18.652 -3.016 1.00 13.22 N ATOM 137 CA SER A 9 16.792 18.137 -2.632 1.00 42.23 C ATOM 138 C SER A 9 17.437 19.027 -1.574 1.00 0.24 C ATOM 139 O SER A 9 17.985 20.084 -1.885 1.00 73.05 O ATOM 140 CB SER A 9 17.703 18.039 -3.856 1.00 63.25 C ATOM 141 OG SER A 9 17.675 19.239 -4.611 1.00 22.45 O ATOM 0 H SER A 9 15.513 19.469 -3.626 1.00 13.22 H new ATOM 0 HA SER A 9 16.654 17.142 -2.209 1.00 42.23 H new ATOM 0 HB2 SER A 9 18.724 17.830 -3.537 1.00 63.25 H new ATOM 0 HB3 SER A 9 17.387 17.204 -4.482 1.00 63.25 H new ATOM 0 HG SER A 9 18.267 19.151 -5.387 1.00 22.45 H new ATOM 147 N GLY A 10 17.368 18.590 -0.320 1.00 52.41 N ATOM 148 CA GLY A 10 17.949 19.358 0.766 1.00 30.21 C ATOM 149 C GLY A 10 18.636 18.481 1.793 1.00 12.25 C ATOM 150 O GLY A 10 19.434 17.612 1.444 1.00 23.52 O ATOM 0 H GLY A 10 16.920 17.718 -0.037 1.00 52.41 H new ATOM 0 HA2 GLY A 10 18.669 20.069 0.360 1.00 30.21 H new ATOM 0 HA3 GLY A 10 17.167 19.940 1.254 1.00 30.21 H new ATOM 154 N VAL A 11 18.327 18.709 3.066 1.00 55.12 N ATOM 155 CA VAL A 11 18.921 17.934 4.148 1.00 75.41 C ATOM 156 C VAL A 11 17.929 17.732 5.289 1.00 12.10 C ATOM 157 O VAL A 11 17.124 18.616 5.589 1.00 23.31 O ATOM 158 CB VAL A 11 20.187 18.616 4.698 1.00 13.24 C ATOM 159 CG1 VAL A 11 20.983 17.649 5.562 1.00 61.22 C ATOM 160 CG2 VAL A 11 21.041 19.152 3.560 1.00 54.35 C ATOM 0 H VAL A 11 17.668 19.425 3.373 1.00 55.12 H new ATOM 0 HA VAL A 11 19.192 16.964 3.730 1.00 75.41 H new ATOM 0 HB VAL A 11 19.883 19.457 5.321 1.00 13.24 H new ATOM 0 HG11 VAL A 11 21.874 18.149 5.942 1.00 61.22 H new ATOM 0 HG12 VAL A 11 20.368 17.318 6.399 1.00 61.22 H new ATOM 0 HG13 VAL A 11 21.278 16.786 4.965 1.00 61.22 H new ATOM 0 HG21 VAL A 11 21.931 19.631 3.968 1.00 54.35 H new ATOM 0 HG22 VAL A 11 21.337 18.330 2.909 1.00 54.35 H new ATOM 0 HG23 VAL A 11 20.468 19.881 2.987 1.00 54.35 H new ATOM 170 N ILE A 12 17.992 16.566 5.921 1.00 21.11 N ATOM 171 CA ILE A 12 17.100 16.249 7.030 1.00 3.23 C ATOM 172 C ILE A 12 17.340 17.183 8.212 1.00 21.50 C ATOM 173 O ILE A 12 18.460 17.643 8.436 1.00 74.34 O ATOM 174 CB ILE A 12 17.277 14.792 7.496 1.00 53.00 C ATOM 175 CG1 ILE A 12 17.073 13.830 6.325 1.00 61.31 C ATOM 176 CG2 ILE A 12 16.306 14.475 8.624 1.00 3.42 C ATOM 177 CD1 ILE A 12 15.661 13.832 5.780 1.00 11.34 C ATOM 0 H ILE A 12 18.651 15.824 5.685 1.00 21.11 H new ATOM 0 HA ILE A 12 16.082 16.383 6.665 1.00 3.23 H new ATOM 0 HB ILE A 12 18.293 14.667 7.871 1.00 53.00 H new ATOM 0 HG12 ILE A 12 17.763 14.094 5.524 1.00 61.31 H new ATOM 0 HG13 ILE A 12 17.328 12.820 6.646 1.00 61.31 H new ATOM 0 HG21 ILE A 12 16.443 13.442 8.943 1.00 3.42 H new ATOM 0 HG22 ILE A 12 16.495 15.142 9.465 1.00 3.42 H new ATOM 0 HG23 ILE A 12 15.283 14.614 8.273 1.00 3.42 H new ATOM 0 HD11 ILE A 12 15.590 13.127 4.952 1.00 11.34 H new ATOM 0 HD12 ILE A 12 14.967 13.539 6.567 1.00 11.34 H new ATOM 0 HD13 ILE A 12 15.408 14.832 5.428 1.00 11.34 H new ATOM 189 N VAL A 13 16.282 17.456 8.967 1.00 34.30 N ATOM 190 CA VAL A 13 16.376 18.331 10.129 1.00 44.23 C ATOM 191 C VAL A 13 15.811 17.657 11.374 1.00 51.41 C ATOM 192 O VAL A 13 16.359 17.788 12.467 1.00 3.31 O ATOM 193 CB VAL A 13 15.631 19.659 9.894 1.00 22.03 C ATOM 194 CG1 VAL A 13 16.613 20.770 9.553 1.00 75.51 C ATOM 195 CG2 VAL A 13 14.591 19.498 8.795 1.00 24.11 C ATOM 0 H VAL A 13 15.348 17.083 8.795 1.00 34.30 H new ATOM 0 HA VAL A 13 17.435 18.539 10.282 1.00 44.23 H new ATOM 0 HB VAL A 13 15.115 19.934 10.814 1.00 22.03 H new ATOM 0 HG11 VAL A 13 16.068 21.700 9.390 1.00 75.51 H new ATOM 0 HG12 VAL A 13 17.315 20.900 10.376 1.00 75.51 H new ATOM 0 HG13 VAL A 13 17.160 20.507 8.648 1.00 75.51 H new ATOM 0 HG21 VAL A 13 14.074 20.445 8.642 1.00 24.11 H new ATOM 0 HG22 VAL A 13 15.083 19.199 7.869 1.00 24.11 H new ATOM 0 HG23 VAL A 13 13.870 18.734 9.086 1.00 24.11 H new ATOM 205 N ASN A 14 14.709 16.934 11.199 1.00 54.13 N ATOM 206 CA ASN A 14 14.068 16.239 12.309 1.00 63.13 C ATOM 207 C ASN A 14 13.297 15.018 11.813 1.00 4.13 C ATOM 208 O ASN A 14 13.068 14.860 10.615 1.00 62.13 O ATOM 209 CB ASN A 14 13.124 17.184 13.054 1.00 52.20 C ATOM 210 CG ASN A 14 13.299 17.111 14.558 1.00 5.14 C ATOM 211 OD1 ASN A 14 14.422 17.043 15.061 1.00 51.03 O ATOM 212 ND2 ASN A 14 12.189 17.123 15.286 1.00 61.43 N ATOM 0 H ASN A 14 14.242 16.815 10.300 1.00 54.13 H new ATOM 0 HA ASN A 14 14.847 15.902 12.993 1.00 63.13 H new ATOM 0 HB2 ASN A 14 13.300 18.206 12.720 1.00 52.20 H new ATOM 0 HB3 ASN A 14 12.093 16.939 12.799 1.00 52.20 H new ATOM 0 HD21 ASN A 14 12.246 17.075 16.303 1.00 61.43 H new ATOM 0 HD22 ASN A 14 11.279 17.180 14.828 1.00 61.43 H new ATOM 219 N LYS A 15 12.899 14.159 12.746 1.00 63.44 N ATOM 220 CA LYS A 15 12.152 12.953 12.406 1.00 52.11 C ATOM 221 C LYS A 15 11.165 12.594 13.512 1.00 2.33 C ATOM 222 O LYS A 15 11.524 11.931 14.487 1.00 41.14 O ATOM 223 CB LYS A 15 13.111 11.786 12.164 1.00 70.20 C ATOM 224 CG LYS A 15 14.309 12.150 11.304 1.00 42.03 C ATOM 225 CD LYS A 15 15.329 11.025 11.263 1.00 12.25 C ATOM 226 CE LYS A 15 14.734 9.753 10.680 1.00 61.11 C ATOM 227 NZ LYS A 15 15.735 8.654 10.608 1.00 1.12 N ATOM 0 H LYS A 15 13.081 14.275 13.743 1.00 63.44 H new ATOM 0 HA LYS A 15 11.590 13.149 11.493 1.00 52.11 H new ATOM 0 HB2 LYS A 15 13.465 11.412 13.125 1.00 70.20 H new ATOM 0 HB3 LYS A 15 12.566 10.972 11.686 1.00 70.20 H new ATOM 0 HG2 LYS A 15 13.975 12.377 10.291 1.00 42.03 H new ATOM 0 HG3 LYS A 15 14.778 13.053 11.695 1.00 42.03 H new ATOM 0 HD2 LYS A 15 16.188 11.333 10.666 1.00 12.25 H new ATOM 0 HD3 LYS A 15 15.695 10.828 12.271 1.00 12.25 H new ATOM 0 HE2 LYS A 15 13.889 9.435 11.290 1.00 61.11 H new ATOM 0 HE3 LYS A 15 14.347 9.958 9.682 1.00 61.11 H new ATOM 0 HZ1 LYS A 15 15.939 8.435 9.612 1.00 1.12 H new ATOM 0 HZ2 LYS A 15 16.611 8.950 11.084 1.00 1.12 H new ATOM 0 HZ3 LYS A 15 15.355 7.807 11.077 1.00 1.12 H new ATOM 241 N LEU A 16 9.923 13.036 13.356 1.00 33.25 N ATOM 242 CA LEU A 16 8.884 12.759 14.343 1.00 72.43 C ATOM 243 C LEU A 16 8.037 11.562 13.920 1.00 32.03 C ATOM 244 O LEU A 16 6.841 11.695 13.661 1.00 64.22 O ATOM 245 CB LEU A 16 7.991 13.987 14.530 1.00 0.34 C ATOM 246 CG LEU A 16 8.716 15.326 14.675 1.00 53.23 C ATOM 247 CD1 LEU A 16 9.040 15.908 13.307 1.00 54.22 C ATOM 248 CD2 LEU A 16 7.875 16.302 15.487 1.00 43.34 C ATOM 0 H LEU A 16 9.610 13.587 12.557 1.00 33.25 H new ATOM 0 HA LEU A 16 9.370 12.522 15.289 1.00 72.43 H new ATOM 0 HB2 LEU A 16 7.314 14.053 13.678 1.00 0.34 H new ATOM 0 HB3 LEU A 16 7.375 13.832 15.415 1.00 0.34 H new ATOM 0 HG LEU A 16 9.653 15.156 15.206 1.00 53.23 H new ATOM 0 HD11 LEU A 16 9.556 16.860 13.430 1.00 54.22 H new ATOM 0 HD12 LEU A 16 9.681 15.216 12.760 1.00 54.22 H new ATOM 0 HD13 LEU A 16 8.116 16.065 12.750 1.00 54.22 H new ATOM 0 HD21 LEU A 16 8.406 17.249 15.580 1.00 43.34 H new ATOM 0 HD22 LEU A 16 6.923 16.468 14.984 1.00 43.34 H new ATOM 0 HD23 LEU A 16 7.694 15.888 16.479 1.00 43.34 H new ATOM 260 N PHE A 17 8.665 10.392 13.858 1.00 41.53 N ATOM 261 CA PHE A 17 7.970 9.171 13.469 1.00 2.52 C ATOM 262 C PHE A 17 8.479 7.977 14.271 1.00 50.25 C ATOM 263 O PHE A 17 9.495 8.065 14.962 1.00 61.14 O ATOM 264 CB PHE A 17 8.151 8.910 11.973 1.00 64.25 C ATOM 265 CG PHE A 17 9.281 7.969 11.661 1.00 54.25 C ATOM 266 CD1 PHE A 17 10.597 8.370 11.818 1.00 12.43 C ATOM 267 CD2 PHE A 17 9.025 6.685 11.209 1.00 34.52 C ATOM 268 CE1 PHE A 17 11.638 7.507 11.533 1.00 41.43 C ATOM 269 CE2 PHE A 17 10.061 5.817 10.922 1.00 10.14 C ATOM 270 CZ PHE A 17 11.370 6.229 11.083 1.00 30.00 C ATOM 0 H PHE A 17 9.654 10.264 14.072 1.00 41.53 H new ATOM 0 HA PHE A 17 6.909 9.303 13.681 1.00 2.52 H new ATOM 0 HB2 PHE A 17 7.225 8.500 11.569 1.00 64.25 H new ATOM 0 HB3 PHE A 17 8.328 9.858 11.466 1.00 64.25 H new ATOM 0 HD1 PHE A 17 10.812 9.369 12.167 1.00 12.43 H new ATOM 0 HD2 PHE A 17 8.004 6.359 11.079 1.00 34.52 H new ATOM 0 HE1 PHE A 17 12.660 7.832 11.662 1.00 41.43 H new ATOM 0 HE2 PHE A 17 9.848 4.818 10.572 1.00 10.14 H new ATOM 0 HZ PHE A 17 12.182 5.553 10.857 1.00 30.00 H new ATOM 280 N LYS A 18 7.766 6.859 14.174 1.00 43.34 N ATOM 281 CA LYS A 18 8.144 5.646 14.887 1.00 13.54 C ATOM 282 C LYS A 18 8.149 4.443 13.950 1.00 35.45 C ATOM 283 O LYS A 18 7.527 4.469 12.889 1.00 23.50 O ATOM 284 CB LYS A 18 7.185 5.395 16.053 1.00 73.33 C ATOM 285 CG LYS A 18 7.556 6.145 17.320 1.00 43.45 C ATOM 286 CD LYS A 18 8.309 5.257 18.294 1.00 32.44 C ATOM 287 CE LYS A 18 7.543 5.083 19.597 1.00 53.11 C ATOM 288 NZ LYS A 18 7.690 3.708 20.149 1.00 22.12 N ATOM 0 H LYS A 18 6.922 6.769 13.608 1.00 43.34 H new ATOM 0 HA LYS A 18 9.152 5.783 15.278 1.00 13.54 H new ATOM 0 HB2 LYS A 18 6.178 5.683 15.752 1.00 73.33 H new ATOM 0 HB3 LYS A 18 7.160 4.327 16.268 1.00 73.33 H new ATOM 0 HG2 LYS A 18 8.169 7.009 17.066 1.00 43.45 H new ATOM 0 HG3 LYS A 18 6.652 6.525 17.797 1.00 43.45 H new ATOM 0 HD2 LYS A 18 8.482 4.282 17.839 1.00 32.44 H new ATOM 0 HD3 LYS A 18 9.288 5.690 18.501 1.00 32.44 H new ATOM 0 HE2 LYS A 18 7.901 5.808 20.328 1.00 53.11 H new ATOM 0 HE3 LYS A 18 6.487 5.295 19.428 1.00 53.11 H new ATOM 0 HZ1 LYS A 18 7.153 3.631 21.036 1.00 22.12 H new ATOM 0 HZ2 LYS A 18 7.325 3.017 19.462 1.00 22.12 H new ATOM 0 HZ3 LYS A 18 8.695 3.514 20.334 1.00 22.12 H new ATOM 302 N ALA A 19 8.852 3.388 14.352 1.00 40.40 N ATOM 303 CA ALA A 19 8.934 2.175 13.550 1.00 25.23 C ATOM 304 C ALA A 19 7.783 1.226 13.870 1.00 52.03 C ATOM 305 O ALA A 19 7.685 0.707 14.980 1.00 34.12 O ATOM 306 CB ALA A 19 10.269 1.482 13.776 1.00 24.35 C ATOM 0 H ALA A 19 9.372 3.350 15.228 1.00 40.40 H new ATOM 0 HA ALA A 19 8.857 2.458 12.500 1.00 25.23 H new ATOM 0 HB1 ALA A 19 10.316 0.577 13.170 1.00 24.35 H new ATOM 0 HB2 ALA A 19 11.080 2.152 13.491 1.00 24.35 H new ATOM 0 HB3 ALA A 19 10.369 1.219 14.829 1.00 24.35 H new ATOM 312 N GLY A 20 6.913 1.007 12.888 1.00 30.44 N ATOM 313 CA GLY A 20 5.781 0.122 13.085 1.00 34.33 C ATOM 314 C GLY A 20 4.659 0.781 13.864 1.00 75.41 C ATOM 315 O GLY A 20 3.843 0.101 14.487 1.00 64.11 O ATOM 0 H GLY A 20 6.973 1.427 11.960 1.00 30.44 H new ATOM 0 HA2 GLY A 20 5.404 -0.202 12.115 1.00 34.33 H new ATOM 0 HA3 GLY A 20 6.110 -0.772 13.614 1.00 34.33 H new ATOM 319 N ASP A 21 4.618 2.108 13.829 1.00 13.45 N ATOM 320 CA ASP A 21 3.589 2.860 14.539 1.00 72.14 C ATOM 321 C ASP A 21 2.428 3.200 13.609 1.00 53.13 C ATOM 322 O ASP A 21 2.380 2.746 12.466 1.00 71.51 O ATOM 323 CB ASP A 21 4.178 4.143 15.128 1.00 23.34 C ATOM 324 CG ASP A 21 3.767 4.358 16.572 1.00 61.13 C ATOM 325 OD1 ASP A 21 3.710 3.366 17.327 1.00 52.01 O ATOM 326 OD2 ASP A 21 3.500 5.519 16.945 1.00 53.44 O ATOM 0 H ASP A 21 5.285 2.686 13.317 1.00 13.45 H new ATOM 0 HA ASP A 21 3.213 2.237 15.350 1.00 72.14 H new ATOM 0 HB2 ASP A 21 5.265 4.103 15.065 1.00 23.34 H new ATOM 0 HB3 ASP A 21 3.855 4.996 14.530 1.00 23.34 H new ATOM 331 N LYS A 22 1.493 4.002 14.107 1.00 5.23 N ATOM 332 CA LYS A 22 0.332 4.404 13.323 1.00 54.44 C ATOM 333 C LYS A 22 0.506 5.820 12.781 1.00 74.23 C ATOM 334 O LYS A 22 1.148 6.661 13.408 1.00 13.40 O ATOM 335 CB LYS A 22 -0.937 4.325 14.175 1.00 72.33 C ATOM 336 CG LYS A 22 -1.788 3.102 13.885 1.00 75.50 C ATOM 337 CD LYS A 22 -3.235 3.480 13.610 1.00 4.14 C ATOM 338 CE LYS A 22 -3.939 3.943 14.877 1.00 74.03 C ATOM 339 NZ LYS A 22 -5.014 4.932 14.583 1.00 33.55 N ATOM 0 H LYS A 22 1.517 4.387 15.051 1.00 5.23 H new ATOM 0 HA LYS A 22 0.239 3.719 12.480 1.00 54.44 H new ATOM 0 HB2 LYS A 22 -0.658 4.321 15.229 1.00 72.33 H new ATOM 0 HB3 LYS A 22 -1.534 5.221 14.007 1.00 72.33 H new ATOM 0 HG2 LYS A 22 -1.381 2.570 13.025 1.00 75.50 H new ATOM 0 HG3 LYS A 22 -1.745 2.418 14.733 1.00 75.50 H new ATOM 0 HD2 LYS A 22 -3.270 4.273 12.863 1.00 4.14 H new ATOM 0 HD3 LYS A 22 -3.763 2.623 13.191 1.00 4.14 H new ATOM 0 HE2 LYS A 22 -4.368 3.082 15.390 1.00 74.03 H new ATOM 0 HE3 LYS A 22 -3.211 4.388 15.555 1.00 74.03 H new ATOM 0 HZ1 LYS A 22 -5.470 5.223 15.471 1.00 33.55 H new ATOM 0 HZ2 LYS A 22 -4.601 5.765 14.116 1.00 33.55 H new ATOM 0 HZ3 LYS A 22 -5.722 4.499 13.956 1.00 33.55 H new ATOM 353 N VAL A 23 -0.073 6.075 11.612 1.00 42.24 N ATOM 354 CA VAL A 23 0.016 7.390 10.986 1.00 60.24 C ATOM 355 C VAL A 23 -1.362 7.895 10.570 1.00 3.15 C ATOM 356 O VAL A 23 -2.322 7.126 10.499 1.00 12.43 O ATOM 357 CB VAL A 23 0.934 7.363 9.751 1.00 62.24 C ATOM 358 CG1 VAL A 23 0.125 7.102 8.488 1.00 3.42 C ATOM 359 CG2 VAL A 23 1.712 8.665 9.635 1.00 15.03 C ATOM 0 H VAL A 23 -0.608 5.389 11.079 1.00 42.24 H new ATOM 0 HA VAL A 23 0.439 8.066 11.729 1.00 60.24 H new ATOM 0 HB VAL A 23 1.649 6.549 9.871 1.00 62.24 H new ATOM 0 HG11 VAL A 23 0.792 7.087 7.626 1.00 3.42 H new ATOM 0 HG12 VAL A 23 -0.381 6.140 8.572 1.00 3.42 H new ATOM 0 HG13 VAL A 23 -0.615 7.892 8.360 1.00 3.42 H new ATOM 0 HG21 VAL A 23 2.356 8.627 8.756 1.00 15.03 H new ATOM 0 HG22 VAL A 23 1.015 9.498 9.539 1.00 15.03 H new ATOM 0 HG23 VAL A 23 2.323 8.804 10.527 1.00 15.03 H new ATOM 369 N LYS A 24 -1.453 9.191 10.296 1.00 12.42 N ATOM 370 CA LYS A 24 -2.712 9.801 9.885 1.00 34.24 C ATOM 371 C LYS A 24 -2.574 10.469 8.521 1.00 2.33 C ATOM 372 O LYS A 24 -1.537 10.359 7.867 1.00 62.55 O ATOM 373 CB LYS A 24 -3.169 10.827 10.925 1.00 44.24 C ATOM 374 CG LYS A 24 -3.853 10.208 12.131 1.00 53.01 C ATOM 375 CD LYS A 24 -5.366 10.309 12.024 1.00 34.32 C ATOM 376 CE LYS A 24 -5.883 9.620 10.771 1.00 34.21 C ATOM 377 NZ LYS A 24 -7.372 9.551 10.750 1.00 45.30 N ATOM 0 H LYS A 24 -0.669 9.841 10.351 1.00 12.42 H new ATOM 0 HA LYS A 24 -3.461 9.013 9.809 1.00 34.24 H new ATOM 0 HB2 LYS A 24 -2.305 11.399 11.262 1.00 44.24 H new ATOM 0 HB3 LYS A 24 -3.853 11.531 10.452 1.00 44.24 H new ATOM 0 HG2 LYS A 24 -3.562 9.161 12.218 1.00 53.01 H new ATOM 0 HG3 LYS A 24 -3.517 10.709 13.039 1.00 53.01 H new ATOM 0 HD2 LYS A 24 -5.825 9.858 12.904 1.00 34.32 H new ATOM 0 HD3 LYS A 24 -5.662 11.358 12.012 1.00 34.32 H new ATOM 0 HE2 LYS A 24 -5.532 10.157 9.890 1.00 34.21 H new ATOM 0 HE3 LYS A 24 -5.472 8.612 10.715 1.00 34.21 H new ATOM 0 HZ1 LYS A 24 -7.685 9.075 9.880 1.00 45.30 H new ATOM 0 HZ2 LYS A 24 -7.706 9.017 11.577 1.00 45.30 H new ATOM 0 HZ3 LYS A 24 -7.765 10.514 10.778 1.00 45.30 H new ATOM 391 N LYS A 25 -3.623 11.165 8.100 1.00 55.14 N ATOM 392 CA LYS A 25 -3.619 11.854 6.815 1.00 52.33 C ATOM 393 C LYS A 25 -3.214 13.316 6.983 1.00 72.54 C ATOM 394 O LYS A 25 -4.065 14.200 7.073 1.00 23.42 O ATOM 395 CB LYS A 25 -5.001 11.770 6.162 1.00 24.50 C ATOM 396 CG LYS A 25 -5.627 10.388 6.241 1.00 23.21 C ATOM 397 CD LYS A 25 -7.142 10.456 6.147 1.00 22.20 C ATOM 398 CE LYS A 25 -7.621 10.261 4.717 1.00 20.51 C ATOM 399 NZ LYS A 25 -8.329 11.464 4.199 1.00 40.24 N ATOM 0 H LYS A 25 -4.488 11.267 8.630 1.00 55.14 H new ATOM 0 HA LYS A 25 -2.889 11.363 6.171 1.00 52.33 H new ATOM 0 HB2 LYS A 25 -5.665 12.489 6.642 1.00 24.50 H new ATOM 0 HB3 LYS A 25 -4.918 12.063 5.115 1.00 24.50 H new ATOM 0 HG2 LYS A 25 -5.239 9.765 5.435 1.00 23.21 H new ATOM 0 HG3 LYS A 25 -5.341 9.911 7.178 1.00 23.21 H new ATOM 0 HD2 LYS A 25 -7.582 9.691 6.787 1.00 22.20 H new ATOM 0 HD3 LYS A 25 -7.488 11.420 6.519 1.00 22.20 H new ATOM 0 HE2 LYS A 25 -6.768 10.038 4.076 1.00 20.51 H new ATOM 0 HE3 LYS A 25 -8.288 9.400 4.672 1.00 20.51 H new ATOM 0 HZ1 LYS A 25 -8.639 11.290 3.222 1.00 40.24 H new ATOM 0 HZ2 LYS A 25 -9.158 11.663 4.795 1.00 40.24 H new ATOM 0 HZ3 LYS A 25 -7.685 12.281 4.218 1.00 40.24 H new ATOM 413 N GLY A 26 -1.909 13.562 7.023 1.00 23.25 N ATOM 414 CA GLY A 26 -1.414 14.918 7.178 1.00 22.24 C ATOM 415 C GLY A 26 -0.624 15.103 8.460 1.00 72.24 C ATOM 416 O GLY A 26 -0.396 16.230 8.896 1.00 2.44 O ATOM 0 H GLY A 26 -1.185 12.847 6.951 1.00 23.25 H new ATOM 0 HA2 GLY A 26 -0.783 15.171 6.326 1.00 22.24 H new ATOM 0 HA3 GLY A 26 -2.255 15.612 7.169 1.00 22.24 H new ATOM 420 N GLN A 27 -0.208 13.994 9.062 1.00 1.13 N ATOM 421 CA GLN A 27 0.558 14.040 10.302 1.00 21.22 C ATOM 422 C GLN A 27 2.052 14.139 10.015 1.00 21.24 C ATOM 423 O GLN A 27 2.567 13.481 9.110 1.00 53.15 O ATOM 424 CB GLN A 27 0.270 12.801 11.151 1.00 30.13 C ATOM 425 CG GLN A 27 1.332 11.720 11.027 1.00 32.44 C ATOM 426 CD GLN A 27 1.249 10.690 12.139 1.00 52.45 C ATOM 427 OE1 GLN A 27 0.031 10.304 12.498 1.00 44.41 O flip ATOM 428 NE2 GLN A 27 2.268 10.249 12.669 1.00 52.14 N flip ATOM 0 H GLN A 27 -0.388 13.053 8.712 1.00 1.13 H new ATOM 0 HA GLN A 27 0.253 14.929 10.855 1.00 21.22 H new ATOM 0 HB2 GLN A 27 0.186 13.098 12.196 1.00 30.13 H new ATOM 0 HB3 GLN A 27 -0.695 12.386 10.859 1.00 30.13 H new ATOM 0 HG2 GLN A 27 1.225 11.220 10.065 1.00 32.44 H new ATOM 0 HG3 GLN A 27 2.319 12.182 11.038 1.00 32.44 H new ATOM 0 HE21 GLN A 27 3.185 10.574 12.361 1.00 52.14 H new ATOM 0 HE22 GLN A 27 2.196 9.558 13.416 1.00 52.14 H new ATOM 437 N THR A 28 2.746 14.965 10.792 1.00 43.11 N ATOM 438 CA THR A 28 4.182 15.151 10.621 1.00 75.30 C ATOM 439 C THR A 28 4.946 13.878 10.966 1.00 23.42 C ATOM 440 O THR A 28 4.599 13.170 11.912 1.00 71.41 O ATOM 441 CB THR A 28 4.707 16.304 11.495 1.00 13.22 C ATOM 442 OG1 THR A 28 3.658 17.247 11.745 1.00 31.33 O ATOM 443 CG2 THR A 28 5.876 17.007 10.821 1.00 71.44 C ATOM 0 H THR A 28 2.337 15.516 11.546 1.00 43.11 H new ATOM 0 HA THR A 28 4.346 15.397 9.572 1.00 75.30 H new ATOM 0 HB THR A 28 5.052 15.885 12.440 1.00 13.22 H new ATOM 0 HG1 THR A 28 4.000 17.976 12.303 1.00 31.33 H new ATOM 0 HG21 THR A 28 6.229 17.818 11.458 1.00 71.44 H new ATOM 0 HG22 THR A 28 6.685 16.294 10.659 1.00 71.44 H new ATOM 0 HG23 THR A 28 5.553 17.413 9.863 1.00 71.44 H new ATOM 451 N LEU A 29 5.989 13.592 10.193 1.00 14.13 N ATOM 452 CA LEU A 29 6.804 12.403 10.418 1.00 11.51 C ATOM 453 C LEU A 29 8.288 12.723 10.262 1.00 12.34 C ATOM 454 O LEU A 29 9.127 12.190 10.988 1.00 44.14 O ATOM 455 CB LEU A 29 6.405 11.295 9.443 1.00 55.42 C ATOM 456 CG LEU A 29 4.907 11.008 9.331 1.00 44.01 C ATOM 457 CD1 LEU A 29 4.572 10.455 7.954 1.00 20.34 C ATOM 458 CD2 LEU A 29 4.466 10.040 10.419 1.00 4.10 C ATOM 0 H LEU A 29 6.290 14.167 9.406 1.00 14.13 H new ATOM 0 HA LEU A 29 6.630 12.061 11.438 1.00 11.51 H new ATOM 0 HB2 LEU A 29 6.780 11.557 8.453 1.00 55.42 H new ATOM 0 HB3 LEU A 29 6.909 10.376 9.742 1.00 55.42 H new ATOM 0 HG LEU A 29 4.366 11.944 9.466 1.00 44.01 H new ATOM 0 HD11 LEU A 29 3.502 10.257 7.892 1.00 20.34 H new ATOM 0 HD12 LEU A 29 4.851 11.183 7.192 1.00 20.34 H new ATOM 0 HD13 LEU A 29 5.123 9.529 7.790 1.00 20.34 H new ATOM 0 HD21 LEU A 29 3.397 9.848 10.324 1.00 4.10 H new ATOM 0 HD22 LEU A 29 5.014 9.103 10.317 1.00 4.10 H new ATOM 0 HD23 LEU A 29 4.670 10.475 11.397 1.00 4.10 H new ATOM 470 N PHE A 30 8.603 13.599 9.313 1.00 14.52 N ATOM 471 CA PHE A 30 9.984 13.991 9.064 1.00 41.52 C ATOM 472 C PHE A 30 10.072 15.470 8.693 1.00 32.53 C ATOM 473 O PHE A 30 9.052 16.138 8.524 1.00 44.52 O ATOM 474 CB PHE A 30 10.585 13.137 7.945 1.00 62.02 C ATOM 475 CG PHE A 30 10.563 11.664 8.238 1.00 51.23 C ATOM 476 CD1 PHE A 30 9.421 10.915 8.005 1.00 52.11 C ATOM 477 CD2 PHE A 30 11.684 11.029 8.747 1.00 72.53 C ATOM 478 CE1 PHE A 30 9.397 9.560 8.274 1.00 31.45 C ATOM 479 CE2 PHE A 30 11.667 9.673 9.018 1.00 72.33 C ATOM 480 CZ PHE A 30 10.522 8.938 8.781 1.00 43.23 C ATOM 0 H PHE A 30 7.920 14.050 8.704 1.00 14.52 H new ATOM 0 HA PHE A 30 10.552 13.830 9.980 1.00 41.52 H new ATOM 0 HB2 PHE A 30 10.037 13.324 7.022 1.00 62.02 H new ATOM 0 HB3 PHE A 30 11.615 13.450 7.773 1.00 62.02 H new ATOM 0 HD1 PHE A 30 8.539 11.396 7.608 1.00 52.11 H new ATOM 0 HD2 PHE A 30 12.582 11.600 8.934 1.00 72.53 H new ATOM 0 HE1 PHE A 30 8.500 8.988 8.088 1.00 31.45 H new ATOM 0 HE2 PHE A 30 12.548 9.190 9.414 1.00 72.33 H new ATOM 0 HZ PHE A 30 10.506 7.879 8.992 1.00 43.23 H new ATOM 490 N ILE A 31 11.297 15.970 8.569 1.00 75.24 N ATOM 491 CA ILE A 31 11.516 17.368 8.218 1.00 23.23 C ATOM 492 C ILE A 31 12.781 17.531 7.381 1.00 32.12 C ATOM 493 O ILE A 31 13.764 16.817 7.578 1.00 21.53 O ATOM 494 CB ILE A 31 11.628 18.253 9.474 1.00 62.25 C ATOM 495 CG1 ILE A 31 10.609 17.812 10.526 1.00 54.21 C ATOM 496 CG2 ILE A 31 11.423 19.715 9.110 1.00 3.31 C ATOM 497 CD1 ILE A 31 10.569 18.711 11.742 1.00 3.31 C ATOM 0 H ILE A 31 12.151 15.429 8.706 1.00 75.24 H new ATOM 0 HA ILE A 31 10.652 17.687 7.635 1.00 23.23 H new ATOM 0 HB ILE A 31 12.628 18.140 9.894 1.00 62.25 H new ATOM 0 HG12 ILE A 31 9.619 17.784 10.072 1.00 54.21 H new ATOM 0 HG13 ILE A 31 10.843 16.796 10.843 1.00 54.21 H new ATOM 0 HG21 ILE A 31 11.505 20.328 10.007 1.00 3.31 H new ATOM 0 HG22 ILE A 31 12.183 20.021 8.391 1.00 3.31 H new ATOM 0 HG23 ILE A 31 10.434 19.845 8.671 1.00 3.31 H new ATOM 0 HD11 ILE A 31 9.825 18.338 12.446 1.00 3.31 H new ATOM 0 HD12 ILE A 31 11.548 18.720 12.220 1.00 3.31 H new ATOM 0 HD13 ILE A 31 10.305 19.724 11.437 1.00 3.31 H new ATOM 509 N ILE A 32 12.748 18.477 6.447 1.00 14.04 N ATOM 510 CA ILE A 32 13.892 18.736 5.582 1.00 14.23 C ATOM 511 C ILE A 32 14.038 20.226 5.295 1.00 55.04 C ATOM 512 O ILE A 32 13.045 20.937 5.137 1.00 10.43 O ATOM 513 CB ILE A 32 13.772 17.976 4.248 1.00 23.23 C ATOM 514 CG1 ILE A 32 14.106 16.496 4.448 1.00 45.10 C ATOM 515 CG2 ILE A 32 14.688 18.596 3.202 1.00 35.42 C ATOM 516 CD1 ILE A 32 13.199 15.563 3.678 1.00 55.23 C ATOM 0 H ILE A 32 11.942 19.076 6.271 1.00 14.04 H new ATOM 0 HA ILE A 32 14.776 18.383 6.113 1.00 14.23 H new ATOM 0 HB ILE A 32 12.744 18.052 3.893 1.00 23.23 H new ATOM 0 HG12 ILE A 32 15.138 16.320 4.143 1.00 45.10 H new ATOM 0 HG13 ILE A 32 14.042 16.258 5.510 1.00 45.10 H new ATOM 0 HG21 ILE A 32 14.593 18.048 2.264 1.00 35.42 H new ATOM 0 HG22 ILE A 32 14.408 19.637 3.044 1.00 35.42 H new ATOM 0 HG23 ILE A 32 15.721 18.547 3.547 1.00 35.42 H new ATOM 0 HD11 ILE A 32 13.494 14.531 3.867 1.00 55.23 H new ATOM 0 HD12 ILE A 32 12.168 15.711 3.999 1.00 55.23 H new ATOM 0 HD13 ILE A 32 13.281 15.774 2.612 1.00 55.23 H new ATOM 528 N GLU A 33 15.280 20.692 5.227 1.00 62.11 N ATOM 529 CA GLU A 33 15.555 22.099 4.956 1.00 74.30 C ATOM 530 C GLU A 33 15.805 22.328 3.469 1.00 51.11 C ATOM 531 O GLU A 33 16.502 21.549 2.819 1.00 35.42 O ATOM 532 CB GLU A 33 16.763 22.570 5.767 1.00 4.33 C ATOM 533 CG GLU A 33 17.370 23.867 5.258 1.00 72.15 C ATOM 534 CD GLU A 33 18.525 23.636 4.303 1.00 24.42 C ATOM 535 OE1 GLU A 33 18.762 22.468 3.929 1.00 5.34 O ATOM 536 OE2 GLU A 33 19.192 24.624 3.928 1.00 33.03 O ATOM 0 H GLU A 33 16.112 20.117 5.356 1.00 62.11 H new ATOM 0 HA GLU A 33 14.680 22.678 5.252 1.00 74.30 H new ATOM 0 HB2 GLU A 33 16.463 22.703 6.806 1.00 4.33 H new ATOM 0 HB3 GLU A 33 17.526 21.791 5.752 1.00 4.33 H new ATOM 0 HG2 GLU A 33 16.599 24.452 4.755 1.00 72.15 H new ATOM 0 HG3 GLU A 33 17.717 24.458 6.105 1.00 72.15 H new ATOM 543 N GLN A 34 15.231 23.403 2.937 1.00 32.40 N ATOM 544 CA GLN A 34 15.390 23.734 1.527 1.00 64.25 C ATOM 545 C GLN A 34 16.519 24.739 1.328 1.00 43.24 C ATOM 546 O GLN A 34 17.255 25.054 2.263 1.00 2.51 O ATOM 547 CB GLN A 34 14.084 24.296 0.962 1.00 3.31 C ATOM 548 CG GLN A 34 13.320 23.309 0.096 1.00 25.25 C ATOM 549 CD GLN A 34 12.438 22.381 0.908 1.00 30.44 C ATOM 550 OE1 GLN A 34 11.221 22.345 0.727 1.00 50.55 O ATOM 551 NE2 GLN A 34 13.049 21.623 1.811 1.00 23.35 N ATOM 0 H GLN A 34 14.652 24.059 3.462 1.00 32.40 H new ATOM 0 HA GLN A 34 15.644 22.819 0.992 1.00 64.25 H new ATOM 0 HB2 GLN A 34 13.446 24.611 1.788 1.00 3.31 H new ATOM 0 HB3 GLN A 34 14.306 25.186 0.374 1.00 3.31 H new ATOM 0 HG2 GLN A 34 12.704 23.858 -0.617 1.00 25.25 H new ATOM 0 HG3 GLN A 34 14.028 22.716 -0.484 1.00 25.25 H new ATOM 0 HE21 GLN A 34 14.060 21.685 1.928 1.00 23.35 H new ATOM 0 HE22 GLN A 34 12.507 20.979 2.387 1.00 23.35 H new ATOM 560 N ASP A 35 16.652 25.239 0.104 1.00 60.15 N ATOM 561 CA ASP A 35 17.691 26.211 -0.218 1.00 22.41 C ATOM 562 C ASP A 35 19.063 25.544 -0.256 1.00 54.50 C ATOM 563 O ASP A 35 20.058 26.173 -0.619 1.00 74.45 O ATOM 564 CB ASP A 35 17.689 27.348 0.805 1.00 63.32 C ATOM 565 CG ASP A 35 19.076 27.646 1.340 1.00 14.13 C ATOM 566 OD1 ASP A 35 19.819 28.399 0.677 1.00 54.31 O ATOM 567 OD2 ASP A 35 19.418 27.125 2.423 1.00 45.42 O ATOM 0 H ASP A 35 16.053 24.987 -0.682 1.00 60.15 H new ATOM 0 HA ASP A 35 17.479 26.622 -1.205 1.00 22.41 H new ATOM 0 HB2 ASP A 35 17.279 28.247 0.344 1.00 63.32 H new ATOM 0 HB3 ASP A 35 17.031 27.086 1.634 1.00 63.32 H new ATOM 572 N GLN A 36 19.109 24.272 0.125 1.00 50.31 N ATOM 573 CA GLN A 36 20.359 23.523 0.136 1.00 40.31 C ATOM 574 C GLN A 36 21.536 24.434 0.467 1.00 3.23 C ATOM 575 O GLN A 36 22.256 24.885 -0.424 1.00 70.35 O ATOM 576 CB GLN A 36 20.587 22.848 -1.218 1.00 11.11 C ATOM 577 CG GLN A 36 19.851 23.523 -2.364 1.00 70.42 C ATOM 578 CD GLN A 36 18.547 22.830 -2.708 1.00 31.23 C ATOM 579 OE1 GLN A 36 17.477 23.204 -2.016 1.00 61.12 O flip ATOM 580 NE2 GLN A 36 18.501 21.967 -3.585 1.00 52.15 N flip ATOM 0 H GLN A 36 18.295 23.739 0.430 1.00 50.31 H new ATOM 0 HA GLN A 36 20.287 22.757 0.908 1.00 40.31 H new ATOM 0 HB2 GLN A 36 21.655 22.841 -1.436 1.00 11.11 H new ATOM 0 HB3 GLN A 36 20.268 21.808 -1.155 1.00 11.11 H new ATOM 0 HG2 GLN A 36 19.648 24.561 -2.099 1.00 70.42 H new ATOM 0 HG3 GLN A 36 20.493 23.538 -3.245 1.00 70.42 H new ATOM 0 HE21 GLN A 36 19.348 21.710 -4.092 1.00 52.15 H new ATOM 0 HE22 GLN A 36 17.616 21.509 -3.804 1.00 52.15 H new ATOM 589 N ALA A 37 21.727 24.702 1.755 1.00 44.33 N ATOM 590 CA ALA A 37 22.818 25.558 2.204 1.00 11.33 C ATOM 591 C ALA A 37 23.985 24.729 2.732 1.00 13.32 C ATOM 592 O ALA A 37 24.977 25.274 3.216 1.00 0.40 O ATOM 593 CB ALA A 37 22.327 26.522 3.274 1.00 75.04 C ATOM 0 H ALA A 37 21.140 24.338 2.506 1.00 44.33 H new ATOM 0 HA ALA A 37 23.172 26.132 1.348 1.00 11.33 H new ATOM 0 HB1 ALA A 37 23.152 27.155 3.600 1.00 75.04 H new ATOM 0 HB2 ALA A 37 21.532 27.145 2.865 1.00 75.04 H new ATOM 0 HB3 ALA A 37 21.945 25.958 4.125 1.00 75.04 H new ATOM 599 N SER A 38 23.858 23.410 2.637 1.00 11.51 N ATOM 600 CA SER A 38 24.900 22.506 3.109 1.00 51.43 C ATOM 601 C SER A 38 25.064 22.609 4.622 1.00 13.42 C ATOM 602 O SER A 38 25.736 23.510 5.127 1.00 63.53 O ATOM 603 CB SER A 38 26.229 22.820 2.419 1.00 53.33 C ATOM 604 OG SER A 38 26.016 23.428 1.157 1.00 63.14 O ATOM 0 H SER A 38 23.044 22.943 2.237 1.00 11.51 H new ATOM 0 HA SER A 38 24.602 21.487 2.861 1.00 51.43 H new ATOM 0 HB2 SER A 38 26.823 23.482 3.050 1.00 53.33 H new ATOM 0 HB3 SER A 38 26.802 21.902 2.292 1.00 53.33 H new ATOM 0 HG SER A 38 26.880 23.621 0.737 1.00 63.14 H new ATOM 610 N LYS A 39 24.445 21.681 5.343 1.00 72.03 N ATOM 611 CA LYS A 39 24.521 21.664 6.799 1.00 72.13 C ATOM 612 C LYS A 39 25.970 21.582 7.267 1.00 25.24 C ATOM 613 O LYS A 39 26.293 21.973 8.389 1.00 63.03 O ATOM 614 CB LYS A 39 23.726 20.482 7.358 1.00 34.03 C ATOM 615 CG LYS A 39 22.312 20.386 6.811 1.00 61.55 C ATOM 616 CD LYS A 39 21.668 21.757 6.685 1.00 4.15 C ATOM 617 CE LYS A 39 20.172 21.697 6.954 1.00 64.23 C ATOM 618 NZ LYS A 39 19.639 23.007 7.416 1.00 51.20 N ATOM 0 H LYS A 39 23.884 20.929 4.942 1.00 72.03 H new ATOM 0 HA LYS A 39 24.089 22.593 7.171 1.00 72.13 H new ATOM 0 HB2 LYS A 39 24.258 19.558 7.131 1.00 34.03 H new ATOM 0 HB3 LYS A 39 23.681 20.566 8.444 1.00 34.03 H new ATOM 0 HG2 LYS A 39 22.331 19.901 5.835 1.00 61.55 H new ATOM 0 HG3 LYS A 39 21.709 19.759 7.467 1.00 61.55 H new ATOM 0 HD2 LYS A 39 22.138 22.447 7.387 1.00 4.15 H new ATOM 0 HD3 LYS A 39 21.843 22.152 5.684 1.00 4.15 H new ATOM 0 HE2 LYS A 39 19.652 21.393 6.046 1.00 64.23 H new ATOM 0 HE3 LYS A 39 19.969 20.936 7.708 1.00 64.23 H new ATOM 0 HZ1 LYS A 39 18.627 22.912 7.637 1.00 51.20 H new ATOM 0 HZ2 LYS A 39 20.153 23.310 8.268 1.00 51.20 H new ATOM 0 HZ3 LYS A 39 19.764 23.717 6.666 1.00 51.20 H new ATOM 632 N ASP A 40 26.838 21.073 6.400 1.00 3.33 N ATOM 633 CA ASP A 40 28.254 20.943 6.725 1.00 65.01 C ATOM 634 C ASP A 40 28.925 22.312 6.792 1.00 64.34 C ATOM 635 O ASP A 40 30.073 22.432 7.221 1.00 53.32 O ATOM 636 CB ASP A 40 28.959 20.066 5.688 1.00 53.12 C ATOM 637 CG ASP A 40 28.905 20.661 4.294 1.00 53.03 C ATOM 638 OD1 ASP A 40 29.766 21.508 3.977 1.00 21.34 O ATOM 639 OD2 ASP A 40 28.001 20.281 3.521 1.00 15.31 O ATOM 0 H ASP A 40 26.587 20.744 5.468 1.00 3.33 H new ATOM 0 HA ASP A 40 28.334 20.471 7.704 1.00 65.01 H new ATOM 0 HB2 ASP A 40 30.000 19.928 5.981 1.00 53.12 H new ATOM 0 HB3 ASP A 40 28.497 19.079 5.677 1.00 53.12 H new ATOM 644 N PHE A 41 28.202 23.341 6.364 1.00 71.45 N ATOM 645 CA PHE A 41 28.727 24.701 6.373 1.00 63.41 C ATOM 646 C PHE A 41 28.022 25.549 7.428 1.00 65.23 C ATOM 647 O PHE A 41 28.515 25.703 8.544 1.00 53.53 O ATOM 648 CB PHE A 41 28.564 25.343 4.993 1.00 35.33 C ATOM 649 CG PHE A 41 29.007 26.776 4.942 1.00 11.30 C ATOM 650 CD1 PHE A 41 30.354 27.101 4.998 1.00 75.20 C ATOM 651 CD2 PHE A 41 28.079 27.800 4.840 1.00 4.32 C ATOM 652 CE1 PHE A 41 30.765 28.419 4.952 1.00 44.23 C ATOM 653 CE2 PHE A 41 28.486 29.120 4.793 1.00 71.23 C ATOM 654 CZ PHE A 41 29.830 29.431 4.849 1.00 33.25 C ATOM 0 H PHE A 41 27.250 23.259 6.006 1.00 71.45 H new ATOM 0 HA PHE A 41 29.788 24.653 6.620 1.00 63.41 H new ATOM 0 HB2 PHE A 41 29.136 24.768 4.264 1.00 35.33 H new ATOM 0 HB3 PHE A 41 27.517 25.284 4.695 1.00 35.33 H new ATOM 0 HD1 PHE A 41 31.090 26.315 5.078 1.00 75.20 H new ATOM 0 HD2 PHE A 41 27.026 27.564 4.797 1.00 4.32 H new ATOM 0 HE1 PHE A 41 31.817 28.658 4.997 1.00 44.23 H new ATOM 0 HE2 PHE A 41 27.752 29.909 4.712 1.00 71.23 H new ATOM 0 HZ PHE A 41 30.149 30.462 4.812 1.00 33.25 H new ATOM 664 N ASN A 42 26.868 26.096 7.064 1.00 70.54 N ATOM 665 CA ASN A 42 26.094 26.929 7.977 1.00 5.43 C ATOM 666 C ASN A 42 24.802 27.404 7.320 1.00 21.54 C ATOM 667 O ASN A 42 24.813 27.906 6.196 1.00 10.13 O ATOM 668 CB ASN A 42 26.924 28.135 8.426 1.00 73.32 C ATOM 669 CG ASN A 42 26.595 28.569 9.841 1.00 31.00 C ATOM 670 OD1 ASN A 42 27.487 28.867 10.634 1.00 23.13 O ATOM 671 ND2 ASN A 42 25.308 28.605 10.164 1.00 54.33 N ATOM 0 H ASN A 42 26.447 25.978 6.142 1.00 70.54 H new ATOM 0 HA ASN A 42 25.836 26.327 8.848 1.00 5.43 H new ATOM 0 HB2 ASN A 42 27.984 27.887 8.362 1.00 73.32 H new ATOM 0 HB3 ASN A 42 26.749 28.967 7.744 1.00 73.32 H new ATOM 0 HD22 ASN A 42 24.602 28.349 9.474 1.00 54.33 H new ATOM 677 N ARG A 43 23.690 27.242 8.030 1.00 62.53 N ATOM 678 CA ARG A 43 22.389 27.652 7.516 1.00 23.23 C ATOM 679 C ARG A 43 21.551 28.298 8.614 1.00 54.35 C ATOM 680 O ARG A 43 20.672 27.661 9.195 1.00 14.13 O ATOM 681 CB ARG A 43 21.645 26.449 6.932 1.00 15.34 C ATOM 682 CG ARG A 43 20.573 26.828 5.924 1.00 35.55 C ATOM 683 CD ARG A 43 19.251 27.143 6.608 1.00 61.21 C ATOM 684 NE ARG A 43 18.147 27.220 5.655 1.00 11.41 N ATOM 685 CZ ARG A 43 17.919 28.273 4.877 1.00 1.35 C ATOM 686 NH1 ARG A 43 18.717 29.331 4.938 1.00 11.00 N ATOM 687 NH2 ARG A 43 16.894 28.268 4.035 1.00 14.21 N ATOM 0 H ARG A 43 23.664 26.830 8.963 1.00 62.53 H new ATOM 0 HA ARG A 43 22.552 28.387 6.727 1.00 23.23 H new ATOM 0 HB2 ARG A 43 22.364 25.785 6.453 1.00 15.34 H new ATOM 0 HB3 ARG A 43 21.185 25.887 7.745 1.00 15.34 H new ATOM 0 HG2 ARG A 43 20.902 27.694 5.350 1.00 35.55 H new ATOM 0 HG3 ARG A 43 20.432 26.011 5.216 1.00 35.55 H new ATOM 0 HD2 ARG A 43 19.035 26.376 7.351 1.00 61.21 H new ATOM 0 HD3 ARG A 43 19.336 28.089 7.142 1.00 61.21 H new ATOM 0 HE ARG A 43 17.516 26.422 5.583 1.00 11.41 H new ATOM 0 HH11 ARG A 43 19.507 29.337 5.583 1.00 11.00 H new ATOM 0 HH12 ARG A 43 18.540 30.138 4.340 1.00 11.00 H new ATOM 0 HH21 ARG A 43 16.280 27.455 3.984 1.00 14.21 H new ATOM 0 HH22 ARG A 43 16.720 29.077 3.438 1.00 14.21 H new ATOM 701 N SER A 44 21.827 29.568 8.893 1.00 0.55 N ATOM 702 CA SER A 44 21.102 30.301 9.925 1.00 72.40 C ATOM 703 C SER A 44 20.744 31.704 9.444 1.00 1.23 C ATOM 704 O SER A 44 20.947 32.045 8.280 1.00 43.14 O ATOM 705 CB SER A 44 21.937 30.384 11.203 1.00 34.15 C ATOM 706 OG SER A 44 23.212 30.944 10.944 1.00 24.10 O ATOM 0 H SER A 44 22.548 30.111 8.418 1.00 0.55 H new ATOM 0 HA SER A 44 20.179 29.763 10.138 1.00 72.40 H new ATOM 0 HB2 SER A 44 21.414 30.989 11.944 1.00 34.15 H new ATOM 0 HB3 SER A 44 22.054 29.388 11.630 1.00 34.15 H new ATOM 0 HG SER A 44 23.122 31.909 10.800 1.00 24.10 H new ATOM 712 N LYS A 45 20.209 32.514 10.352 1.00 22.14 N ATOM 713 CA LYS A 45 19.824 33.882 10.025 1.00 74.44 C ATOM 714 C LYS A 45 21.037 34.704 9.604 1.00 33.10 C ATOM 715 O LYS A 45 21.146 35.122 8.451 1.00 73.41 O ATOM 716 CB LYS A 45 19.138 34.541 11.223 1.00 75.52 C ATOM 717 CG LYS A 45 18.031 33.697 11.832 1.00 25.31 C ATOM 718 CD LYS A 45 18.330 33.345 13.280 1.00 4.23 C ATOM 719 CE LYS A 45 18.800 31.905 13.418 1.00 2.32 C ATOM 720 NZ LYS A 45 18.268 31.264 14.652 1.00 34.15 N ATOM 0 H LYS A 45 20.032 32.246 11.320 1.00 22.14 H new ATOM 0 HA LYS A 45 19.125 33.846 9.189 1.00 74.44 H new ATOM 0 HB2 LYS A 45 19.885 34.751 11.988 1.00 75.52 H new ATOM 0 HB3 LYS A 45 18.723 35.499 10.911 1.00 75.52 H new ATOM 0 HG2 LYS A 45 17.087 34.239 11.776 1.00 25.31 H new ATOM 0 HG3 LYS A 45 17.909 32.782 11.252 1.00 25.31 H new ATOM 0 HD2 LYS A 45 19.095 34.017 13.668 1.00 4.23 H new ATOM 0 HD3 LYS A 45 17.436 33.496 13.884 1.00 4.23 H new ATOM 0 HE2 LYS A 45 18.482 31.334 12.546 1.00 2.32 H new ATOM 0 HE3 LYS A 45 19.890 31.879 13.436 1.00 2.32 H new ATOM 0 HZ1 LYS A 45 18.611 30.284 14.710 1.00 34.15 H new ATOM 0 HZ2 LYS A 45 18.593 31.794 15.486 1.00 34.15 H new ATOM 0 HZ3 LYS A 45 17.228 31.266 14.624 1.00 34.15 H new ATOM 734 N ALA A 46 21.947 34.930 10.545 1.00 43.12 N ATOM 735 CA ALA A 46 23.155 35.699 10.270 1.00 1.34 C ATOM 736 C ALA A 46 24.263 34.805 9.723 1.00 13.11 C ATOM 737 O ALA A 46 24.551 33.746 10.280 1.00 65.10 O ATOM 738 CB ALA A 46 23.624 36.413 11.530 1.00 64.13 C ATOM 0 H ALA A 46 21.871 34.592 11.504 1.00 43.12 H new ATOM 0 HA ALA A 46 22.917 36.444 9.510 1.00 1.34 H new ATOM 0 HB1 ALA A 46 24.527 36.983 11.310 1.00 64.13 H new ATOM 0 HB2 ALA A 46 22.843 37.089 11.877 1.00 64.13 H new ATOM 0 HB3 ALA A 46 23.839 35.678 12.306 1.00 64.13 H new ATOM 744 N LEU A 47 24.879 35.238 8.629 1.00 60.12 N ATOM 745 CA LEU A 47 25.955 34.476 8.004 1.00 4.35 C ATOM 746 C LEU A 47 27.040 35.405 7.470 1.00 43.20 C ATOM 747 O LEU A 47 26.821 36.605 7.307 1.00 72.25 O ATOM 748 CB LEU A 47 25.403 33.611 6.870 1.00 13.30 C ATOM 749 CG LEU A 47 24.192 32.744 7.216 1.00 50.25 C ATOM 750 CD1 LEU A 47 23.412 32.391 5.958 1.00 10.30 C ATOM 751 CD2 LEU A 47 24.629 31.483 7.945 1.00 24.34 C ATOM 0 H LEU A 47 24.652 36.113 8.156 1.00 60.12 H new ATOM 0 HA LEU A 47 26.397 33.829 8.762 1.00 4.35 H new ATOM 0 HB2 LEU A 47 25.132 34.264 6.041 1.00 13.30 H new ATOM 0 HB3 LEU A 47 26.202 32.960 6.515 1.00 13.30 H new ATOM 0 HG LEU A 47 23.539 33.314 7.877 1.00 50.25 H new ATOM 0 HD11 LEU A 47 22.554 31.774 6.223 1.00 10.30 H new ATOM 0 HD12 LEU A 47 23.066 33.305 5.476 1.00 10.30 H new ATOM 0 HD13 LEU A 47 24.057 31.841 5.273 1.00 10.30 H new ATOM 0 HD21 LEU A 47 23.754 30.879 8.183 1.00 24.34 H new ATOM 0 HD22 LEU A 47 25.303 30.910 7.309 1.00 24.34 H new ATOM 0 HD23 LEU A 47 25.143 31.755 8.867 1.00 24.34 H new ATOM 763 N PHE A 48 28.212 34.841 7.196 1.00 41.21 N ATOM 764 CA PHE A 48 29.332 35.618 6.678 1.00 41.21 C ATOM 765 C PHE A 48 30.364 34.710 6.017 1.00 65.32 C ATOM 766 O PHE A 48 30.352 33.494 6.209 1.00 74.12 O ATOM 767 CB PHE A 48 29.988 36.420 7.803 1.00 24.41 C ATOM 768 CG PHE A 48 30.309 35.597 9.017 1.00 24.44 C ATOM 769 CD1 PHE A 48 29.379 35.444 10.033 1.00 22.25 C ATOM 770 CD2 PHE A 48 31.541 34.975 9.143 1.00 62.21 C ATOM 771 CE1 PHE A 48 29.673 34.687 11.152 1.00 24.00 C ATOM 772 CE2 PHE A 48 31.841 34.216 10.260 1.00 54.14 C ATOM 773 CZ PHE A 48 30.905 34.072 11.264 1.00 32.41 C ATOM 0 H PHE A 48 28.411 33.849 7.324 1.00 41.21 H new ATOM 0 HA PHE A 48 28.947 36.308 5.927 1.00 41.21 H new ATOM 0 HB2 PHE A 48 30.906 36.873 7.428 1.00 24.41 H new ATOM 0 HB3 PHE A 48 29.325 37.235 8.092 1.00 24.41 H new ATOM 0 HD1 PHE A 48 28.414 35.921 9.950 1.00 22.25 H new ATOM 0 HD2 PHE A 48 32.276 35.084 8.359 1.00 62.21 H new ATOM 0 HE1 PHE A 48 28.940 34.577 11.938 1.00 24.00 H new ATOM 0 HE2 PHE A 48 32.805 33.737 10.346 1.00 54.14 H new ATOM 0 HZ PHE A 48 31.136 33.479 12.137 1.00 32.41 H new ATOM 783 N SER A 49 31.258 35.308 5.236 1.00 42.50 N ATOM 784 CA SER A 49 32.295 34.554 4.542 1.00 2.44 C ATOM 785 C SER A 49 33.217 35.488 3.763 1.00 71.23 C ATOM 786 O SER A 49 34.440 35.363 3.825 1.00 54.53 O ATOM 787 CB SER A 49 31.665 33.534 3.593 1.00 31.14 C ATOM 788 OG SER A 49 32.653 32.892 2.805 1.00 52.45 O ATOM 0 H SER A 49 31.285 36.314 5.068 1.00 42.50 H new ATOM 0 HA SER A 49 32.888 34.027 5.290 1.00 2.44 H new ATOM 0 HB2 SER A 49 31.114 32.790 4.168 1.00 31.14 H new ATOM 0 HB3 SER A 49 30.945 34.033 2.944 1.00 31.14 H new ATOM 0 HG SER A 49 32.225 32.244 2.208 1.00 52.45 H new ATOM 794 N GLN A 50 32.620 36.423 3.031 1.00 70.24 N ATOM 795 CA GLN A 50 33.387 37.377 2.239 1.00 52.42 C ATOM 796 C GLN A 50 32.462 38.347 1.510 1.00 45.20 C ATOM 797 O GLN A 50 32.462 38.414 0.281 1.00 45.53 O ATOM 798 CB GLN A 50 34.272 36.642 1.230 1.00 35.42 C ATOM 799 CG GLN A 50 33.552 35.527 0.489 1.00 55.53 C ATOM 800 CD GLN A 50 33.903 35.484 -0.985 1.00 41.52 C ATOM 801 OE1 GLN A 50 34.062 36.523 -1.628 1.00 12.10 O ATOM 802 NE2 GLN A 50 34.029 34.279 -1.529 1.00 12.31 N ATOM 0 H GLN A 50 31.609 36.540 2.970 1.00 70.24 H new ATOM 0 HA GLN A 50 34.020 37.948 2.918 1.00 52.42 H new ATOM 0 HB2 GLN A 50 34.656 37.360 0.505 1.00 35.42 H new ATOM 0 HB3 GLN A 50 35.133 36.224 1.751 1.00 35.42 H new ATOM 0 HG2 GLN A 50 33.804 34.570 0.947 1.00 55.53 H new ATOM 0 HG3 GLN A 50 32.476 35.659 0.599 1.00 55.53 H new ATOM 0 HE21 GLN A 50 33.888 33.445 -0.959 1.00 12.31 H new ATOM 0 HE22 GLN A 50 34.266 34.188 -2.517 1.00 12.31 H new ATOM 811 N SER A 51 31.676 39.096 2.276 1.00 60.31 N ATOM 812 CA SER A 51 30.743 40.059 1.703 1.00 63.14 C ATOM 813 C SER A 51 29.689 39.355 0.853 1.00 42.42 C ATOM 814 O SER A 51 29.617 39.556 -0.359 1.00 53.13 O ATOM 815 CB SER A 51 31.495 41.086 0.853 1.00 30.00 C ATOM 816 OG SER A 51 32.712 41.465 1.472 1.00 44.14 O ATOM 0 H SER A 51 31.667 39.055 3.295 1.00 60.31 H new ATOM 0 HA SER A 51 30.241 40.573 2.523 1.00 63.14 H new ATOM 0 HB2 SER A 51 31.699 40.668 -0.133 1.00 30.00 H new ATOM 0 HB3 SER A 51 30.870 41.966 0.703 1.00 30.00 H new ATOM 0 HG SER A 51 33.175 42.120 0.909 1.00 44.14 H new ATOM 822 N ALA A 52 28.873 38.528 1.499 1.00 12.04 N ATOM 823 CA ALA A 52 27.822 37.796 0.805 1.00 22.53 C ATOM 824 C ALA A 52 26.467 38.471 0.991 1.00 41.04 C ATOM 825 O ALA A 52 25.619 38.438 0.099 1.00 62.02 O ATOM 826 CB ALA A 52 27.768 36.357 1.297 1.00 34.13 C ATOM 0 H ALA A 52 28.920 38.349 2.502 1.00 12.04 H new ATOM 0 HA ALA A 52 28.056 37.797 -0.260 1.00 22.53 H new ATOM 0 HB1 ALA A 52 26.978 35.822 0.770 1.00 34.13 H new ATOM 0 HB2 ALA A 52 28.725 35.871 1.107 1.00 34.13 H new ATOM 0 HB3 ALA A 52 27.562 36.346 2.367 1.00 34.13 H new ATOM 832 N ILE A 53 26.271 39.082 2.155 1.00 43.24 N ATOM 833 CA ILE A 53 25.020 39.766 2.456 1.00 40.04 C ATOM 834 C ILE A 53 25.238 41.267 2.616 1.00 20.33 C ATOM 835 O ILE A 53 25.860 41.715 3.579 1.00 32.10 O ATOM 836 CB ILE A 53 24.371 39.213 3.739 1.00 42.22 C ATOM 837 CG1 ILE A 53 24.257 37.689 3.662 1.00 73.11 C ATOM 838 CG2 ILE A 53 23.002 39.842 3.953 1.00 11.35 C ATOM 839 CD1 ILE A 53 23.713 37.060 4.926 1.00 64.12 C ATOM 0 H ILE A 53 26.962 39.117 2.904 1.00 43.24 H new ATOM 0 HA ILE A 53 24.352 39.587 1.614 1.00 40.04 H new ATOM 0 HB ILE A 53 25.004 39.469 4.589 1.00 42.22 H new ATOM 0 HG12 ILE A 53 23.611 37.423 2.826 1.00 73.11 H new ATOM 0 HG13 ILE A 53 25.240 37.269 3.451 1.00 73.11 H new ATOM 0 HG21 ILE A 53 22.556 39.441 4.863 1.00 11.35 H new ATOM 0 HG22 ILE A 53 23.109 40.923 4.046 1.00 11.35 H new ATOM 0 HG23 ILE A 53 22.359 39.613 3.103 1.00 11.35 H new ATOM 0 HD11 ILE A 53 23.659 35.979 4.800 1.00 64.12 H new ATOM 0 HD12 ILE A 53 24.371 37.296 5.762 1.00 64.12 H new ATOM 0 HD13 ILE A 53 22.716 37.452 5.127 1.00 64.12 H new ATOM 851 N SER A 54 24.720 42.039 1.666 1.00 34.22 N ATOM 852 CA SER A 54 24.859 43.490 1.701 1.00 0.32 C ATOM 853 C SER A 54 24.009 44.091 2.817 1.00 44.25 C ATOM 854 O SER A 54 22.894 44.554 2.579 1.00 3.42 O ATOM 855 CB SER A 54 24.456 44.094 0.354 1.00 14.45 C ATOM 856 OG SER A 54 24.826 43.244 -0.718 1.00 13.32 O ATOM 0 H SER A 54 24.201 41.684 0.863 1.00 34.22 H new ATOM 0 HA SER A 54 25.905 43.726 1.899 1.00 0.32 H new ATOM 0 HB2 SER A 54 23.379 44.261 0.335 1.00 14.45 H new ATOM 0 HB3 SER A 54 24.932 45.067 0.231 1.00 14.45 H new ATOM 0 HG SER A 54 24.556 43.652 -1.567 1.00 13.32 H new ATOM 862 N GLN A 55 24.546 44.080 4.032 1.00 73.50 N ATOM 863 CA GLN A 55 23.838 44.623 5.185 1.00 74.25 C ATOM 864 C GLN A 55 23.375 46.051 4.916 1.00 32.22 C ATOM 865 O GLN A 55 22.437 46.541 5.545 1.00 31.12 O ATOM 866 CB GLN A 55 24.733 44.588 6.424 1.00 10.12 C ATOM 867 CG GLN A 55 24.109 45.245 7.645 1.00 42.43 C ATOM 868 CD GLN A 55 24.867 44.944 8.922 1.00 3.10 C ATOM 869 OE1 GLN A 55 26.080 45.146 9.000 1.00 71.52 O ATOM 870 NE2 GLN A 55 24.156 44.458 9.932 1.00 20.14 N ATOM 0 H GLN A 55 25.469 43.701 4.244 1.00 73.50 H new ATOM 0 HA GLN A 55 22.959 44.004 5.365 1.00 74.25 H new ATOM 0 HB2 GLN A 55 24.970 43.551 6.661 1.00 10.12 H new ATOM 0 HB3 GLN A 55 25.675 45.086 6.195 1.00 10.12 H new ATOM 0 HG2 GLN A 55 24.074 46.324 7.494 1.00 42.43 H new ATOM 0 HG3 GLN A 55 23.079 44.904 7.750 1.00 42.43 H new ATOM 0 HE21 GLN A 55 23.153 44.306 9.823 1.00 20.14 H new ATOM 0 HE22 GLN A 55 24.612 44.236 10.817 1.00 20.14 H new ATOM 879 N LYS A 56 24.040 46.716 3.978 1.00 25.12 N ATOM 880 CA LYS A 56 23.699 48.089 3.624 1.00 32.42 C ATOM 881 C LYS A 56 22.192 48.245 3.447 1.00 55.53 C ATOM 882 O LYS A 56 21.614 49.260 3.837 1.00 42.51 O ATOM 883 CB LYS A 56 24.420 48.500 2.338 1.00 53.43 C ATOM 884 CG LYS A 56 24.281 47.491 1.212 1.00 33.31 C ATOM 885 CD LYS A 56 25.143 47.864 0.019 1.00 73.21 C ATOM 886 CE LYS A 56 24.478 48.931 -0.837 1.00 62.12 C ATOM 887 NZ LYS A 56 25.447 49.588 -1.758 1.00 23.21 N ATOM 0 H LYS A 56 24.819 46.326 3.448 1.00 25.12 H new ATOM 0 HA LYS A 56 24.022 48.739 4.437 1.00 32.42 H new ATOM 0 HB2 LYS A 56 24.029 49.461 2.004 1.00 53.43 H new ATOM 0 HB3 LYS A 56 25.478 48.645 2.556 1.00 53.43 H new ATOM 0 HG2 LYS A 56 24.565 46.502 1.572 1.00 33.31 H new ATOM 0 HG3 LYS A 56 23.237 47.431 0.903 1.00 33.31 H new ATOM 0 HD2 LYS A 56 26.111 48.226 0.367 1.00 73.21 H new ATOM 0 HD3 LYS A 56 25.333 46.977 -0.586 1.00 73.21 H new ATOM 0 HE2 LYS A 56 23.673 48.481 -1.418 1.00 62.12 H new ATOM 0 HE3 LYS A 56 24.023 49.683 -0.192 1.00 62.12 H new ATOM 0 HZ1 LYS A 56 24.955 50.309 -2.324 1.00 23.21 H new ATOM 0 HZ2 LYS A 56 26.202 50.040 -1.203 1.00 23.21 H new ATOM 0 HZ3 LYS A 56 25.862 48.875 -2.391 1.00 23.21 H new ATOM 901 N GLU A 57 21.561 47.235 2.857 1.00 34.25 N ATOM 902 CA GLU A 57 20.121 47.263 2.630 1.00 34.30 C ATOM 903 C GLU A 57 19.548 45.848 2.599 1.00 32.02 C ATOM 904 O GLU A 57 18.463 45.618 2.066 1.00 13.10 O ATOM 905 CB GLU A 57 19.803 47.981 1.317 1.00 13.32 C ATOM 906 CG GLU A 57 20.337 49.403 1.256 1.00 22.23 C ATOM 907 CD GLU A 57 19.927 50.127 -0.011 1.00 22.20 C ATOM 908 OE1 GLU A 57 20.477 49.802 -1.084 1.00 41.03 O ATOM 909 OE2 GLU A 57 19.056 51.017 0.071 1.00 50.45 O ATOM 0 H GLU A 57 22.024 46.388 2.528 1.00 34.25 H new ATOM 0 HA GLU A 57 19.660 47.807 3.454 1.00 34.30 H new ATOM 0 HB2 GLU A 57 20.222 47.409 0.489 1.00 13.32 H new ATOM 0 HB3 GLU A 57 18.722 48.001 1.176 1.00 13.32 H new ATOM 0 HG2 GLU A 57 19.976 49.960 2.121 1.00 22.23 H new ATOM 0 HG3 GLU A 57 21.425 49.382 1.322 1.00 22.23 H new ATOM 916 N TYR A 58 20.285 44.906 3.176 1.00 33.11 N ATOM 917 CA TYR A 58 19.853 43.513 3.213 1.00 42.00 C ATOM 918 C TYR A 58 18.436 43.397 3.767 1.00 3.53 C ATOM 919 O TYR A 58 17.962 44.283 4.480 1.00 61.40 O ATOM 920 CB TYR A 58 20.815 42.681 4.062 1.00 52.10 C ATOM 921 CG TYR A 58 20.552 42.781 5.548 1.00 31.11 C ATOM 922 CD1 TYR A 58 20.302 44.009 6.149 1.00 70.44 C ATOM 923 CD2 TYR A 58 20.553 41.647 6.351 1.00 60.13 C ATOM 924 CE1 TYR A 58 20.062 44.104 7.505 1.00 21.24 C ATOM 925 CE2 TYR A 58 20.313 41.733 7.708 1.00 34.05 C ATOM 926 CZ TYR A 58 20.068 42.963 8.281 1.00 41.21 C ATOM 927 OH TYR A 58 19.828 43.054 9.633 1.00 33.13 O ATOM 0 H TYR A 58 21.184 45.081 3.625 1.00 33.11 H new ATOM 0 HA TYR A 58 19.857 43.130 2.192 1.00 42.00 H new ATOM 0 HB2 TYR A 58 20.744 41.637 3.758 1.00 52.10 H new ATOM 0 HB3 TYR A 58 21.836 43.003 3.860 1.00 52.10 H new ATOM 0 HD1 TYR A 58 20.295 44.904 5.545 1.00 70.44 H new ATOM 0 HD2 TYR A 58 20.745 40.682 5.906 1.00 60.13 H new ATOM 0 HE1 TYR A 58 19.871 45.066 7.956 1.00 21.24 H new ATOM 0 HE2 TYR A 58 20.317 40.841 8.318 1.00 34.05 H new ATOM 0 HH TYR A 58 19.867 42.160 10.033 1.00 33.13 H new ATOM 937 N ASP A 59 17.767 42.299 3.436 1.00 1.31 N ATOM 938 CA ASP A 59 16.405 42.065 3.902 1.00 35.51 C ATOM 939 C ASP A 59 16.352 40.866 4.843 1.00 35.25 C ATOM 940 O ASP A 59 17.386 40.331 5.244 1.00 54.44 O ATOM 941 CB ASP A 59 15.469 41.837 2.714 1.00 73.42 C ATOM 942 CG ASP A 59 15.841 42.685 1.513 1.00 1.01 C ATOM 943 OD1 ASP A 59 15.580 43.906 1.546 1.00 23.23 O ATOM 944 OD2 ASP A 59 16.392 42.128 0.541 1.00 62.10 O ATOM 0 H ASP A 59 18.145 41.557 2.847 1.00 1.31 H new ATOM 0 HA ASP A 59 16.077 42.949 4.449 1.00 35.51 H new ATOM 0 HB2 ASP A 59 15.493 40.784 2.433 1.00 73.42 H new ATOM 0 HB3 ASP A 59 14.446 42.064 3.013 1.00 73.42 H new ATOM 949 N SER A 60 15.139 40.448 5.194 1.00 62.00 N ATOM 950 CA SER A 60 14.951 39.316 6.093 1.00 62.34 C ATOM 951 C SER A 60 14.781 38.020 5.305 1.00 31.45 C ATOM 952 O SER A 60 15.021 36.930 5.824 1.00 31.41 O ATOM 953 CB SER A 60 13.732 39.545 6.988 1.00 35.35 C ATOM 954 OG SER A 60 14.102 39.576 8.356 1.00 61.51 O ATOM 0 H SER A 60 14.272 40.877 4.869 1.00 62.00 H new ATOM 0 HA SER A 60 15.840 39.228 6.718 1.00 62.34 H new ATOM 0 HB2 SER A 60 13.249 40.484 6.717 1.00 35.35 H new ATOM 0 HB3 SER A 60 13.002 38.752 6.823 1.00 35.35 H new ATOM 0 HG SER A 60 13.305 39.725 8.907 1.00 61.51 H new ATOM 960 N SER A 61 14.365 38.148 4.050 1.00 50.03 N ATOM 961 CA SER A 61 14.158 36.988 3.191 1.00 65.11 C ATOM 962 C SER A 61 15.390 36.087 3.189 1.00 41.22 C ATOM 963 O SER A 61 15.280 34.865 3.073 1.00 42.42 O ATOM 964 CB SER A 61 13.838 37.434 1.763 1.00 50.41 C ATOM 965 OG SER A 61 14.351 38.730 1.507 1.00 3.31 O ATOM 0 H SER A 61 14.164 39.044 3.605 1.00 50.03 H new ATOM 0 HA SER A 61 13.314 36.422 3.585 1.00 65.11 H new ATOM 0 HB2 SER A 61 14.263 36.724 1.053 1.00 50.41 H new ATOM 0 HB3 SER A 61 12.759 37.430 1.610 1.00 50.41 H new ATOM 0 HG SER A 61 14.135 38.992 0.588 1.00 3.31 H new ATOM 971 N LEU A 62 16.562 36.699 3.318 1.00 30.33 N ATOM 972 CA LEU A 62 17.816 35.952 3.333 1.00 44.53 C ATOM 973 C LEU A 62 18.054 35.312 4.696 1.00 54.24 C ATOM 974 O LEU A 62 18.633 34.231 4.793 1.00 5.40 O ATOM 975 CB LEU A 62 18.984 36.875 2.978 1.00 12.34 C ATOM 976 CG LEU A 62 19.276 38.000 3.973 1.00 63.03 C ATOM 977 CD1 LEU A 62 20.612 37.770 4.662 1.00 1.11 C ATOM 978 CD2 LEU A 62 19.261 39.349 3.270 1.00 43.43 C ATOM 0 H LEU A 62 16.671 37.709 3.414 1.00 30.33 H new ATOM 0 HA LEU A 62 17.747 35.159 2.589 1.00 44.53 H new ATOM 0 HB2 LEU A 62 19.883 36.267 2.873 1.00 12.34 H new ATOM 0 HB3 LEU A 62 18.785 37.321 2.003 1.00 12.34 H new ATOM 0 HG LEU A 62 18.495 38.000 4.733 1.00 63.03 H new ATOM 0 HD11 LEU A 62 20.803 38.580 5.366 1.00 1.11 H new ATOM 0 HD12 LEU A 62 20.586 36.822 5.199 1.00 1.11 H new ATOM 0 HD13 LEU A 62 21.406 37.743 3.916 1.00 1.11 H new ATOM 0 HD21 LEU A 62 19.470 40.138 3.992 1.00 43.43 H new ATOM 0 HD22 LEU A 62 20.021 39.361 2.489 1.00 43.43 H new ATOM 0 HD23 LEU A 62 18.280 39.516 2.824 1.00 43.43 H new ATOM 990 N ALA A 63 17.600 35.986 5.748 1.00 14.11 N ATOM 991 CA ALA A 63 17.759 35.481 7.106 1.00 5.01 C ATOM 992 C ALA A 63 16.875 34.261 7.345 1.00 3.23 C ATOM 993 O ALA A 63 16.320 33.690 6.406 1.00 10.21 O ATOM 994 CB ALA A 63 17.440 36.573 8.116 1.00 14.01 C ATOM 0 H ALA A 63 17.119 36.883 5.685 1.00 14.11 H new ATOM 0 HA ALA A 63 18.797 35.175 7.234 1.00 5.01 H new ATOM 0 HB1 ALA A 63 17.563 36.182 9.126 1.00 14.01 H new ATOM 0 HB2 ALA A 63 18.117 37.414 7.968 1.00 14.01 H new ATOM 0 HB3 ALA A 63 16.411 36.906 7.979 1.00 14.01 H new ATOM 1000 N THR A 64 16.751 33.865 8.608 1.00 53.30 N ATOM 1001 CA THR A 64 15.936 32.712 8.971 1.00 44.34 C ATOM 1002 C THR A 64 16.374 31.469 8.206 1.00 71.21 C ATOM 1003 O THR A 64 17.315 31.514 7.413 1.00 4.14 O ATOM 1004 CB THR A 64 14.442 32.971 8.697 1.00 63.35 C ATOM 1005 OG1 THR A 64 14.142 32.700 7.323 1.00 24.42 O ATOM 1006 CG2 THR A 64 14.072 34.409 9.026 1.00 4.31 C ATOM 0 H THR A 64 17.205 34.326 9.397 1.00 53.30 H new ATOM 0 HA THR A 64 16.078 32.547 10.039 1.00 44.34 H new ATOM 0 HB THR A 64 13.859 32.307 9.335 1.00 63.35 H new ATOM 0 HG1 THR A 64 14.815 33.125 6.751 1.00 24.42 H new ATOM 0 HG21 THR A 64 13.013 34.567 8.824 1.00 4.31 H new ATOM 0 HG22 THR A 64 14.274 34.605 10.079 1.00 4.31 H new ATOM 0 HG23 THR A 64 14.664 35.087 8.411 1.00 4.31 H new ATOM 1014 N LEU A 65 15.685 30.359 8.447 1.00 33.14 N ATOM 1015 CA LEU A 65 16.002 29.101 7.780 1.00 32.42 C ATOM 1016 C LEU A 65 14.730 28.371 7.361 1.00 31.52 C ATOM 1017 O LEU A 65 14.268 27.460 8.050 1.00 1.35 O ATOM 1018 CB LEU A 65 16.835 28.209 8.701 1.00 24.42 C ATOM 1019 CG LEU A 65 16.685 28.466 10.201 1.00 23.33 C ATOM 1020 CD1 LEU A 65 15.251 28.219 10.644 1.00 45.40 C ATOM 1021 CD2 LEU A 65 17.647 27.590 10.991 1.00 4.02 C ATOM 0 H LEU A 65 14.903 30.305 9.100 1.00 33.14 H new ATOM 0 HA LEU A 65 16.580 29.329 6.884 1.00 32.42 H new ATOM 0 HB2 LEU A 65 16.572 27.170 8.503 1.00 24.42 H new ATOM 0 HB3 LEU A 65 17.886 28.328 8.436 1.00 24.42 H new ATOM 0 HG LEU A 65 16.930 29.510 10.398 1.00 23.33 H new ATOM 0 HD11 LEU A 65 15.163 28.407 11.714 1.00 45.40 H new ATOM 0 HD12 LEU A 65 14.582 28.888 10.102 1.00 45.40 H new ATOM 0 HD13 LEU A 65 14.978 27.185 10.434 1.00 45.40 H new ATOM 0 HD21 LEU A 65 17.526 27.786 12.056 1.00 4.02 H new ATOM 0 HD22 LEU A 65 17.433 26.541 10.789 1.00 4.02 H new ATOM 0 HD23 LEU A 65 18.671 27.815 10.694 1.00 4.02 H new ATOM 1033 N ASP A 66 14.168 28.775 6.226 1.00 15.15 N ATOM 1034 CA ASP A 66 12.951 28.156 5.713 1.00 15.44 C ATOM 1035 C ASP A 66 13.085 26.638 5.681 1.00 72.53 C ATOM 1036 O ASP A 66 13.902 26.091 4.938 1.00 52.10 O ATOM 1037 CB ASP A 66 12.637 28.683 4.312 1.00 11.51 C ATOM 1038 CG ASP A 66 11.372 29.518 4.278 1.00 42.23 C ATOM 1039 OD1 ASP A 66 11.310 30.532 5.004 1.00 41.50 O ATOM 1040 OD2 ASP A 66 10.445 29.158 3.523 1.00 3.23 O ATOM 0 H ASP A 66 14.536 29.528 5.644 1.00 15.15 H new ATOM 0 HA ASP A 66 12.131 28.416 6.382 1.00 15.44 H new ATOM 0 HB2 ASP A 66 13.475 29.283 3.956 1.00 11.51 H new ATOM 0 HB3 ASP A 66 12.533 27.843 3.626 1.00 11.51 H new ATOM 1045 N HIS A 67 12.278 25.960 6.492 1.00 61.34 N ATOM 1046 CA HIS A 67 12.307 24.503 6.556 1.00 33.15 C ATOM 1047 C HIS A 67 10.976 23.913 6.101 1.00 43.12 C ATOM 1048 O HIS A 67 9.918 24.510 6.302 1.00 42.12 O ATOM 1049 CB HIS A 67 12.622 24.040 7.979 1.00 45.33 C ATOM 1050 CG HIS A 67 14.063 24.203 8.356 1.00 61.40 C ATOM 1051 ND1 HIS A 67 15.105 24.725 7.667 1.00 3.04 N flip ATOM 1052 CD2 HIS A 67 14.572 23.802 9.572 1.00 64.12 C flip ATOM 1053 CE1 HIS A 67 16.213 24.632 8.472 1.00 31.30 C flip ATOM 1054 NE2 HIS A 67 15.865 24.072 9.617 1.00 1.15 N flip ATOM 0 H HIS A 67 11.597 26.396 7.113 1.00 61.34 H new ATOM 0 HA HIS A 67 13.090 24.150 5.885 1.00 33.15 H new ATOM 0 HB2 HIS A 67 12.005 24.602 8.680 1.00 45.33 H new ATOM 0 HB3 HIS A 67 12.345 22.991 8.081 1.00 45.33 H new ATOM 0 HD1 HIS A 67 15.073 25.115 6.725 1.00 3.04 H new ATOM 0 HD2 HIS A 67 14.003 23.339 10.365 1.00 64.12 H new ATOM 0 HE1 HIS A 67 17.208 24.963 8.212 1.00 31.30 H new ATOM 1062 N THR A 68 11.036 22.736 5.484 1.00 13.00 N ATOM 1063 CA THR A 68 9.836 22.066 4.998 1.00 23.24 C ATOM 1064 C THR A 68 9.615 20.741 5.720 1.00 64.21 C ATOM 1065 O THR A 68 10.480 19.866 5.706 1.00 32.44 O ATOM 1066 CB THR A 68 9.913 21.805 3.482 1.00 5.34 C ATOM 1067 OG1 THR A 68 9.912 23.048 2.771 1.00 63.31 O ATOM 1068 CG2 THR A 68 8.745 20.949 3.020 1.00 72.25 C ATOM 0 H THR A 68 11.903 22.228 5.309 1.00 13.00 H new ATOM 0 HA THR A 68 8.998 22.732 5.202 1.00 23.24 H new ATOM 0 HB THR A 68 10.839 21.269 3.274 1.00 5.34 H new ATOM 0 HG1 THR A 68 10.084 22.881 1.821 1.00 63.31 H new ATOM 0 HG21 THR A 68 8.821 20.778 1.946 1.00 72.25 H new ATOM 0 HG22 THR A 68 8.766 19.992 3.542 1.00 72.25 H new ATOM 0 HG23 THR A 68 7.809 21.462 3.240 1.00 72.25 H new ATOM 1076 N GLU A 69 8.452 20.602 6.348 1.00 23.22 N ATOM 1077 CA GLU A 69 8.120 19.382 7.076 1.00 62.41 C ATOM 1078 C GLU A 69 7.644 18.291 6.120 1.00 41.45 C ATOM 1079 O GLU A 69 7.385 18.552 4.945 1.00 30.42 O ATOM 1080 CB GLU A 69 7.041 19.664 8.123 1.00 41.11 C ATOM 1081 CG GLU A 69 5.713 20.100 7.525 1.00 33.52 C ATOM 1082 CD GLU A 69 4.711 20.526 8.580 1.00 34.24 C ATOM 1083 OE1 GLU A 69 4.953 21.554 9.247 1.00 24.34 O ATOM 1084 OE2 GLU A 69 3.684 19.833 8.740 1.00 63.34 O ATOM 0 H GLU A 69 7.725 21.317 6.368 1.00 23.22 H new ATOM 0 HA GLU A 69 9.022 19.033 7.579 1.00 62.41 H new ATOM 0 HB2 GLU A 69 6.884 18.767 8.721 1.00 41.11 H new ATOM 0 HB3 GLU A 69 7.397 20.440 8.800 1.00 41.11 H new ATOM 0 HG2 GLU A 69 5.883 20.927 6.836 1.00 33.52 H new ATOM 0 HG3 GLU A 69 5.295 19.280 6.942 1.00 33.52 H new ATOM 1091 N ILE A 70 7.533 17.071 6.633 1.00 2.13 N ATOM 1092 CA ILE A 70 7.089 15.941 5.826 1.00 35.11 C ATOM 1093 C ILE A 70 5.888 15.250 6.463 1.00 70.11 C ATOM 1094 O ILE A 70 6.036 14.443 7.382 1.00 44.34 O ATOM 1095 CB ILE A 70 8.216 14.911 5.631 1.00 10.04 C ATOM 1096 CG1 ILE A 70 9.307 15.481 4.722 1.00 53.32 C ATOM 1097 CG2 ILE A 70 7.659 13.619 5.051 1.00 2.24 C ATOM 1098 CD1 ILE A 70 10.338 16.307 5.461 1.00 70.31 C ATOM 0 H ILE A 70 7.744 16.839 7.604 1.00 2.13 H new ATOM 0 HA ILE A 70 6.802 16.341 4.853 1.00 35.11 H new ATOM 0 HB ILE A 70 8.657 14.690 6.603 1.00 10.04 H new ATOM 0 HG12 ILE A 70 9.809 14.659 4.211 1.00 53.32 H new ATOM 0 HG13 ILE A 70 8.842 16.098 3.953 1.00 53.32 H new ATOM 0 HG21 ILE A 70 8.468 12.901 4.919 1.00 2.24 H new ATOM 0 HG22 ILE A 70 6.915 13.206 5.732 1.00 2.24 H new ATOM 0 HG23 ILE A 70 7.195 13.824 4.086 1.00 2.24 H new ATOM 0 HD11 ILE A 70 11.080 16.679 4.755 1.00 70.31 H new ATOM 0 HD12 ILE A 70 9.848 17.149 5.949 1.00 70.31 H new ATOM 0 HD13 ILE A 70 10.830 15.688 6.212 1.00 70.31 H new ATOM 1110 N LYS A 71 4.697 15.570 5.968 1.00 65.52 N ATOM 1111 CA LYS A 71 3.470 14.977 6.485 1.00 74.04 C ATOM 1112 C LYS A 71 3.087 13.734 5.688 1.00 35.42 C ATOM 1113 O LYS A 71 3.368 13.640 4.494 1.00 1.10 O ATOM 1114 CB LYS A 71 2.328 15.997 6.438 1.00 34.04 C ATOM 1115 CG LYS A 71 2.107 16.598 5.061 1.00 12.24 C ATOM 1116 CD LYS A 71 2.205 18.114 5.093 1.00 45.32 C ATOM 1117 CE LYS A 71 3.636 18.585 4.884 1.00 62.52 C ATOM 1118 NZ LYS A 71 4.162 18.184 3.549 1.00 54.43 N ATOM 0 H LYS A 71 4.556 16.237 5.209 1.00 65.52 H new ATOM 0 HA LYS A 71 3.646 14.683 7.520 1.00 74.04 H new ATOM 0 HB2 LYS A 71 1.407 15.515 6.767 1.00 34.04 H new ATOM 0 HB3 LYS A 71 2.539 16.799 7.146 1.00 34.04 H new ATOM 0 HG2 LYS A 71 2.846 16.199 4.366 1.00 12.24 H new ATOM 0 HG3 LYS A 71 1.126 16.304 4.687 1.00 12.24 H new ATOM 0 HD2 LYS A 71 1.565 18.537 4.319 1.00 45.32 H new ATOM 0 HD3 LYS A 71 1.835 18.483 6.050 1.00 45.32 H new ATOM 0 HE2 LYS A 71 3.679 19.670 4.981 1.00 62.52 H new ATOM 0 HE3 LYS A 71 4.273 18.170 5.665 1.00 62.52 H new ATOM 0 HZ1 LYS A 71 4.947 17.513 3.672 1.00 54.43 H new ATOM 0 HZ2 LYS A 71 3.404 17.733 2.998 1.00 54.43 H new ATOM 0 HZ3 LYS A 71 4.503 19.026 3.043 1.00 54.43 H new ATOM 1132 N ALA A 72 2.444 12.783 6.357 1.00 15.22 N ATOM 1133 CA ALA A 72 2.019 11.547 5.710 1.00 0.32 C ATOM 1134 C ALA A 72 0.858 11.798 4.755 1.00 71.52 C ATOM 1135 O ALA A 72 0.008 12.658 4.986 1.00 41.11 O ATOM 1136 CB ALA A 72 1.633 10.511 6.755 1.00 73.41 C ATOM 0 H ALA A 72 2.206 12.844 7.347 1.00 15.22 H new ATOM 0 HA ALA A 72 2.857 11.164 5.127 1.00 0.32 H new ATOM 0 HB1 ALA A 72 1.318 9.593 6.258 1.00 73.41 H new ATOM 0 HB2 ALA A 72 2.491 10.302 7.394 1.00 73.41 H new ATOM 0 HB3 ALA A 72 0.813 10.895 7.362 1.00 73.41 H new ATOM 1142 N PRO A 73 0.819 11.030 3.656 1.00 54.42 N ATOM 1143 CA PRO A 73 -0.235 11.152 2.643 1.00 11.11 C ATOM 1144 C PRO A 73 -1.586 10.663 3.152 1.00 73.12 C ATOM 1145 O PRO A 73 -2.617 11.291 2.907 1.00 61.40 O ATOM 1146 CB PRO A 73 0.263 10.258 1.506 1.00 64.25 C ATOM 1147 CG PRO A 73 1.154 9.264 2.166 1.00 24.25 C ATOM 1148 CD PRO A 73 1.799 9.986 3.317 1.00 33.40 C ATOM 0 HA PRO A 73 -0.400 12.188 2.348 1.00 11.11 H new ATOM 0 HB2 PRO A 73 -0.566 9.768 0.996 1.00 64.25 H new ATOM 0 HB3 PRO A 73 0.802 10.836 0.756 1.00 64.25 H new ATOM 0 HG2 PRO A 73 0.586 8.402 2.515 1.00 24.25 H new ATOM 0 HG3 PRO A 73 1.905 8.890 1.470 1.00 24.25 H new ATOM 0 HD2 PRO A 73 1.982 9.318 4.159 1.00 33.40 H new ATOM 0 HD3 PRO A 73 2.761 10.414 3.035 1.00 33.40 H new ATOM 1156 N PHE A 74 -1.575 9.539 3.862 1.00 54.03 N ATOM 1157 CA PHE A 74 -2.802 8.966 4.404 1.00 5.14 C ATOM 1158 C PHE A 74 -2.495 8.025 5.566 1.00 52.32 C ATOM 1159 O PHE A 74 -1.434 7.404 5.611 1.00 64.44 O ATOM 1160 CB PHE A 74 -3.565 8.214 3.312 1.00 14.52 C ATOM 1161 CG PHE A 74 -2.697 7.305 2.491 1.00 31.13 C ATOM 1162 CD1 PHE A 74 -2.453 6.004 2.900 1.00 62.40 C ATOM 1163 CD2 PHE A 74 -2.125 7.751 1.311 1.00 43.21 C ATOM 1164 CE1 PHE A 74 -1.653 5.165 2.147 1.00 32.01 C ATOM 1165 CE2 PHE A 74 -1.324 6.916 0.553 1.00 34.10 C ATOM 1166 CZ PHE A 74 -1.089 5.622 0.972 1.00 64.34 C ATOM 0 H PHE A 74 -0.731 9.008 4.075 1.00 54.03 H new ATOM 0 HA PHE A 74 -3.422 9.782 4.774 1.00 5.14 H new ATOM 0 HB2 PHE A 74 -4.358 7.626 3.774 1.00 14.52 H new ATOM 0 HB3 PHE A 74 -4.046 8.937 2.653 1.00 14.52 H new ATOM 0 HD1 PHE A 74 -2.893 5.641 3.817 1.00 62.40 H new ATOM 0 HD2 PHE A 74 -2.307 8.763 0.979 1.00 43.21 H new ATOM 0 HE1 PHE A 74 -1.469 4.153 2.477 1.00 32.01 H new ATOM 0 HE2 PHE A 74 -0.883 7.276 -0.365 1.00 34.10 H new ATOM 0 HZ PHE A 74 -0.465 4.968 0.382 1.00 64.34 H new ATOM 1176 N ASP A 75 -3.430 7.928 6.504 1.00 54.24 N ATOM 1177 CA ASP A 75 -3.261 7.064 7.666 1.00 35.30 C ATOM 1178 C ASP A 75 -2.852 5.657 7.241 1.00 14.13 C ATOM 1179 O ASP A 75 -2.915 5.310 6.063 1.00 34.43 O ATOM 1180 CB ASP A 75 -4.556 7.008 8.479 1.00 42.22 C ATOM 1181 CG ASP A 75 -5.665 6.274 7.752 1.00 11.40 C ATOM 1182 OD1 ASP A 75 -5.715 6.357 6.507 1.00 21.31 O ATOM 1183 OD2 ASP A 75 -6.483 5.616 8.429 1.00 42.05 O ATOM 0 H ASP A 75 -4.313 8.437 6.482 1.00 54.24 H new ATOM 0 HA ASP A 75 -2.469 7.482 8.287 1.00 35.30 H new ATOM 0 HB2 ASP A 75 -4.362 6.515 9.432 1.00 42.22 H new ATOM 0 HB3 ASP A 75 -4.884 8.023 8.705 1.00 42.22 H new ATOM 1188 N GLY A 76 -2.429 4.851 8.212 1.00 70.35 N ATOM 1189 CA GLY A 76 -2.014 3.492 7.918 1.00 31.11 C ATOM 1190 C GLY A 76 -0.870 3.032 8.799 1.00 11.21 C ATOM 1191 O GLY A 76 -0.777 3.422 9.964 1.00 41.35 O ATOM 0 H GLY A 76 -2.367 5.115 9.195 1.00 70.35 H new ATOM 0 HA2 GLY A 76 -2.862 2.820 8.049 1.00 31.11 H new ATOM 0 HA3 GLY A 76 -1.713 3.425 6.873 1.00 31.11 H new ATOM 1195 N THR A 77 0.005 2.198 8.244 1.00 34.21 N ATOM 1196 CA THR A 77 1.146 1.683 8.988 1.00 23.44 C ATOM 1197 C THR A 77 2.455 2.246 8.448 1.00 44.54 C ATOM 1198 O THR A 77 2.701 2.223 7.241 1.00 14.52 O ATOM 1199 CB THR A 77 1.203 0.144 8.934 1.00 21.33 C ATOM 1200 OG1 THR A 77 0.043 -0.411 9.564 1.00 72.43 O ATOM 1201 CG2 THR A 77 2.456 -0.376 9.622 1.00 3.33 C ATOM 0 H THR A 77 -0.056 1.866 7.282 1.00 34.21 H new ATOM 0 HA THR A 77 1.017 2.000 10.023 1.00 23.44 H new ATOM 0 HB THR A 77 1.229 -0.160 7.888 1.00 21.33 H new ATOM 0 HG1 THR A 77 0.086 -1.389 9.524 1.00 72.43 H new ATOM 0 HG21 THR A 77 2.474 -1.465 9.571 1.00 3.33 H new ATOM 0 HG22 THR A 77 3.338 0.025 9.123 1.00 3.33 H new ATOM 0 HG23 THR A 77 2.455 -0.062 10.666 1.00 3.33 H new ATOM 1209 N ILE A 78 3.292 2.753 9.347 1.00 74.03 N ATOM 1210 CA ILE A 78 4.577 3.321 8.959 1.00 53.32 C ATOM 1211 C ILE A 78 5.718 2.355 9.256 1.00 15.42 C ATOM 1212 O ILE A 78 5.713 1.666 10.276 1.00 3.31 O ATOM 1213 CB ILE A 78 4.845 4.653 9.684 1.00 12.11 C ATOM 1214 CG1 ILE A 78 6.182 5.245 9.233 1.00 11.22 C ATOM 1215 CG2 ILE A 78 4.833 4.447 11.192 1.00 75.21 C ATOM 1216 CD1 ILE A 78 6.202 5.651 7.776 1.00 72.25 C ATOM 0 H ILE A 78 3.103 2.782 10.349 1.00 74.03 H new ATOM 0 HA ILE A 78 4.530 3.504 7.885 1.00 53.32 H new ATOM 0 HB ILE A 78 4.053 5.356 9.426 1.00 12.11 H new ATOM 0 HG12 ILE A 78 6.410 6.116 9.848 1.00 11.22 H new ATOM 0 HG13 ILE A 78 6.972 4.514 9.409 1.00 11.22 H new ATOM 0 HG21 ILE A 78 5.024 5.397 11.691 1.00 75.21 H new ATOM 0 HG22 ILE A 78 3.859 4.065 11.499 1.00 75.21 H new ATOM 0 HG23 ILE A 78 5.607 3.731 11.468 1.00 75.21 H new ATOM 0 HD11 ILE A 78 7.180 6.062 7.526 1.00 72.25 H new ATOM 0 HD12 ILE A 78 6.005 4.779 7.153 1.00 72.25 H new ATOM 0 HD13 ILE A 78 5.435 6.405 7.598 1.00 72.25 H new ATOM 1228 N GLY A 79 6.698 2.310 8.358 1.00 15.53 N ATOM 1229 CA GLY A 79 7.833 1.427 8.543 1.00 4.00 C ATOM 1230 C GLY A 79 8.953 2.077 9.331 1.00 51.55 C ATOM 1231 O GLY A 79 8.703 2.889 10.223 1.00 63.33 O ATOM 0 H GLY A 79 6.725 2.870 7.506 1.00 15.53 H new ATOM 0 HA2 GLY A 79 7.506 0.524 9.059 1.00 4.00 H new ATOM 0 HA3 GLY A 79 8.211 1.118 7.569 1.00 4.00 H new ATOM 1235 N ASP A 80 10.190 1.722 9.003 1.00 22.45 N ATOM 1236 CA ASP A 80 11.352 2.277 9.687 1.00 21.14 C ATOM 1237 C ASP A 80 12.073 3.287 8.801 1.00 52.44 C ATOM 1238 O ASP A 80 11.692 3.502 7.650 1.00 54.23 O ATOM 1239 CB ASP A 80 12.314 1.158 10.092 1.00 1.44 C ATOM 1240 CG ASP A 80 12.408 0.067 9.044 1.00 42.04 C ATOM 1241 OD1 ASP A 80 11.612 -0.892 9.113 1.00 32.20 O ATOM 1242 OD2 ASP A 80 13.278 0.173 8.155 1.00 42.14 O ATOM 0 H ASP A 80 10.414 1.052 8.267 1.00 22.45 H new ATOM 0 HA ASP A 80 11.004 2.790 10.584 1.00 21.14 H new ATOM 0 HB2 ASP A 80 13.305 1.579 10.264 1.00 1.44 H new ATOM 0 HB3 ASP A 80 11.984 0.724 11.036 1.00 1.44 H new ATOM 1247 N ALA A 81 13.115 3.908 9.345 1.00 60.10 N ATOM 1248 CA ALA A 81 13.888 4.895 8.604 1.00 3.43 C ATOM 1249 C ALA A 81 15.134 4.267 7.988 1.00 65.04 C ATOM 1250 O ALA A 81 15.655 3.273 8.493 1.00 21.11 O ATOM 1251 CB ALA A 81 14.274 6.053 9.512 1.00 51.22 C ATOM 0 H ALA A 81 13.443 3.744 10.297 1.00 60.10 H new ATOM 0 HA ALA A 81 13.265 5.274 7.794 1.00 3.43 H new ATOM 0 HB1 ALA A 81 14.851 6.783 8.945 1.00 51.22 H new ATOM 0 HB2 ALA A 81 13.373 6.526 9.901 1.00 51.22 H new ATOM 0 HB3 ALA A 81 14.875 5.680 10.341 1.00 51.22 H new ATOM 1257 N LEU A 82 15.606 4.853 6.892 1.00 23.31 N ATOM 1258 CA LEU A 82 16.791 4.349 6.205 1.00 12.31 C ATOM 1259 C LEU A 82 17.973 5.294 6.396 1.00 14.01 C ATOM 1260 O LEU A 82 19.116 4.857 6.525 1.00 21.33 O ATOM 1261 CB LEU A 82 16.501 4.170 4.714 1.00 4.42 C ATOM 1262 CG LEU A 82 15.520 3.056 4.350 1.00 20.30 C ATOM 1263 CD1 LEU A 82 14.986 3.255 2.940 1.00 75.14 C ATOM 1264 CD2 LEU A 82 16.186 1.694 4.483 1.00 60.44 C ATOM 0 H LEU A 82 15.187 5.677 6.461 1.00 23.31 H new ATOM 0 HA LEU A 82 17.049 3.382 6.637 1.00 12.31 H new ATOM 0 HB2 LEU A 82 16.112 5.111 4.325 1.00 4.42 H new ATOM 0 HB3 LEU A 82 17.444 3.978 4.201 1.00 4.42 H new ATOM 0 HG LEU A 82 14.680 3.097 5.044 1.00 20.30 H new ATOM 0 HD11 LEU A 82 14.289 2.452 2.698 1.00 75.14 H new ATOM 0 HD12 LEU A 82 14.471 4.214 2.878 1.00 75.14 H new ATOM 0 HD13 LEU A 82 15.815 3.242 2.232 1.00 75.14 H new ATOM 0 HD21 LEU A 82 15.473 0.913 4.220 1.00 60.44 H new ATOM 0 HD22 LEU A 82 17.045 1.642 3.813 1.00 60.44 H new ATOM 0 HD23 LEU A 82 16.518 1.550 5.511 1.00 60.44 H new ATOM 1276 N VAL A 83 17.689 6.593 6.415 1.00 1.43 N ATOM 1277 CA VAL A 83 18.728 7.600 6.594 1.00 62.32 C ATOM 1278 C VAL A 83 18.667 8.212 7.989 1.00 74.03 C ATOM 1279 O VAL A 83 17.867 7.795 8.826 1.00 23.12 O ATOM 1280 CB VAL A 83 18.608 8.723 5.547 1.00 74.04 C ATOM 1281 CG1 VAL A 83 18.653 8.148 4.140 1.00 45.01 C ATOM 1282 CG2 VAL A 83 17.330 9.519 5.765 1.00 32.22 C ATOM 0 H VAL A 83 16.748 6.972 6.309 1.00 1.43 H new ATOM 0 HA VAL A 83 19.684 7.093 6.465 1.00 62.32 H new ATOM 0 HB VAL A 83 19.455 9.399 5.665 1.00 74.04 H new ATOM 0 HG11 VAL A 83 18.567 8.956 3.414 1.00 45.01 H new ATOM 0 HG12 VAL A 83 19.598 7.625 3.991 1.00 45.01 H new ATOM 0 HG13 VAL A 83 17.827 7.450 4.006 1.00 45.01 H new ATOM 0 HG21 VAL A 83 17.261 10.308 5.017 1.00 32.22 H new ATOM 0 HG22 VAL A 83 16.469 8.857 5.674 1.00 32.22 H new ATOM 0 HG23 VAL A 83 17.343 9.963 6.760 1.00 32.22 H new ATOM 1292 N ASN A 84 19.517 9.204 8.232 1.00 55.31 N ATOM 1293 CA ASN A 84 19.558 9.875 9.526 1.00 20.11 C ATOM 1294 C ASN A 84 19.326 11.375 9.369 1.00 11.14 C ATOM 1295 O ASN A 84 19.021 11.855 8.278 1.00 41.23 O ATOM 1296 CB ASN A 84 20.904 9.625 10.210 1.00 1.15 C ATOM 1297 CG ASN A 84 21.190 8.148 10.399 1.00 24.40 C ATOM 1298 OD1 ASN A 84 20.624 7.501 11.281 1.00 65.25 O ATOM 1299 ND2 ASN A 84 22.074 7.606 9.569 1.00 64.24 N ATOM 0 H ASN A 84 20.186 9.561 7.550 1.00 55.31 H new ATOM 0 HA ASN A 84 18.760 9.465 10.146 1.00 20.11 H new ATOM 0 HB2 ASN A 84 21.700 10.073 9.615 1.00 1.15 H new ATOM 0 HB3 ASN A 84 20.913 10.121 11.180 1.00 1.15 H new ATOM 0 HD21 ASN A 84 22.308 6.616 9.648 1.00 64.24 H new ATOM 0 HD22 ASN A 84 22.519 8.179 8.853 1.00 64.24 H new ATOM 1306 N ILE A 85 19.473 12.109 10.468 1.00 21.23 N ATOM 1307 CA ILE A 85 19.282 13.553 10.452 1.00 10.20 C ATOM 1308 C ILE A 85 20.586 14.278 10.139 1.00 61.30 C ATOM 1309 O ILE A 85 21.666 13.824 10.515 1.00 41.11 O ATOM 1310 CB ILE A 85 18.735 14.064 11.799 1.00 61.40 C ATOM 1311 CG1 ILE A 85 17.351 13.469 12.070 1.00 24.43 C ATOM 1312 CG2 ILE A 85 18.674 15.583 11.804 1.00 2.33 C ATOM 1313 CD1 ILE A 85 16.715 13.978 13.345 1.00 22.33 C ATOM 0 H ILE A 85 19.724 11.727 11.380 1.00 21.23 H new ATOM 0 HA ILE A 85 18.554 13.765 9.669 1.00 10.20 H new ATOM 0 HB ILE A 85 19.410 13.745 12.593 1.00 61.40 H new ATOM 0 HG12 ILE A 85 16.695 13.697 11.230 1.00 24.43 H new ATOM 0 HG13 ILE A 85 17.435 12.384 12.123 1.00 24.43 H new ATOM 0 HG21 ILE A 85 18.286 15.928 12.762 1.00 2.33 H new ATOM 0 HG22 ILE A 85 19.674 15.988 11.651 1.00 2.33 H new ATOM 0 HG23 ILE A 85 18.018 15.923 11.003 1.00 2.33 H new ATOM 0 HD11 ILE A 85 15.737 13.515 13.474 1.00 22.33 H new ATOM 0 HD12 ILE A 85 17.350 13.726 14.194 1.00 22.33 H new ATOM 0 HD13 ILE A 85 16.599 15.060 13.287 1.00 22.33 H new ATOM 1325 N GLY A 86 20.478 15.409 9.447 1.00 33.34 N ATOM 1326 CA GLY A 86 21.656 16.180 9.097 1.00 65.43 C ATOM 1327 C GLY A 86 22.359 15.637 7.868 1.00 24.22 C ATOM 1328 O GLY A 86 23.509 15.984 7.597 1.00 14.43 O ATOM 0 H GLY A 86 19.595 15.804 9.123 1.00 33.34 H new ATOM 0 HA2 GLY A 86 21.369 17.216 8.920 1.00 65.43 H new ATOM 0 HA3 GLY A 86 22.349 16.181 9.938 1.00 65.43 H new ATOM 1332 N ASP A 87 21.668 14.782 7.122 1.00 24.54 N ATOM 1333 CA ASP A 87 22.233 14.188 5.916 1.00 10.14 C ATOM 1334 C ASP A 87 21.507 14.691 4.672 1.00 71.21 C ATOM 1335 O ASP A 87 20.277 14.691 4.617 1.00 3.24 O ATOM 1336 CB ASP A 87 22.155 12.663 5.987 1.00 61.14 C ATOM 1337 CG ASP A 87 23.494 12.001 5.725 1.00 13.00 C ATOM 1338 OD1 ASP A 87 23.890 11.910 4.544 1.00 11.43 O ATOM 1339 OD2 ASP A 87 24.145 11.573 6.702 1.00 64.25 O ATOM 0 H ASP A 87 20.715 14.485 7.331 1.00 24.54 H new ATOM 0 HA ASP A 87 23.279 14.486 5.850 1.00 10.14 H new ATOM 0 HB2 ASP A 87 21.793 12.366 6.971 1.00 61.14 H new ATOM 0 HB3 ASP A 87 21.427 12.305 5.258 1.00 61.14 H new ATOM 1344 N TYR A 88 22.275 15.119 3.677 1.00 22.21 N ATOM 1345 CA TYR A 88 21.705 15.627 2.435 1.00 41.11 C ATOM 1346 C TYR A 88 20.923 14.536 1.709 1.00 43.43 C ATOM 1347 O TYR A 88 21.369 13.393 1.615 1.00 51.43 O ATOM 1348 CB TYR A 88 22.810 16.169 1.527 1.00 41.13 C ATOM 1349 CG TYR A 88 22.290 16.845 0.278 1.00 74.40 C ATOM 1350 CD1 TYR A 88 21.877 16.099 -0.819 1.00 61.14 C ATOM 1351 CD2 TYR A 88 22.210 18.230 0.196 1.00 54.14 C ATOM 1352 CE1 TYR A 88 21.402 16.712 -1.962 1.00 0.32 C ATOM 1353 CE2 TYR A 88 21.735 18.852 -0.942 1.00 73.51 C ATOM 1354 CZ TYR A 88 21.332 18.089 -2.019 1.00 0.03 C ATOM 1355 OH TYR A 88 20.858 18.703 -3.155 1.00 2.30 O ATOM 0 H TYR A 88 23.295 15.124 3.706 1.00 22.21 H new ATOM 0 HA TYR A 88 21.019 16.437 2.683 1.00 41.11 H new ATOM 0 HB2 TYR A 88 23.415 16.880 2.090 1.00 41.13 H new ATOM 0 HB3 TYR A 88 23.467 15.349 1.239 1.00 41.13 H new ATOM 0 HD1 TYR A 88 21.928 15.021 -0.777 1.00 61.14 H new ATOM 0 HD2 TYR A 88 22.525 18.830 1.037 1.00 54.14 H new ATOM 0 HE1 TYR A 88 21.087 16.117 -2.806 1.00 0.32 H new ATOM 0 HE2 TYR A 88 21.679 19.930 -0.989 1.00 73.51 H new ATOM 0 HH TYR A 88 20.872 19.675 -3.032 1.00 2.30 H new ATOM 1365 N VAL A 89 19.753 14.901 1.195 1.00 74.33 N ATOM 1366 CA VAL A 89 18.907 13.955 0.474 1.00 54.40 C ATOM 1367 C VAL A 89 18.369 14.571 -0.813 1.00 74.21 C ATOM 1368 O VAL A 89 18.169 15.783 -0.898 1.00 21.43 O ATOM 1369 CB VAL A 89 17.723 13.488 1.342 1.00 41.10 C ATOM 1370 CG1 VAL A 89 18.181 12.452 2.356 1.00 33.31 C ATOM 1371 CG2 VAL A 89 17.070 14.673 2.035 1.00 53.52 C ATOM 0 H VAL A 89 19.369 15.843 1.264 1.00 74.33 H new ATOM 0 HA VAL A 89 19.529 13.094 0.229 1.00 54.40 H new ATOM 0 HB VAL A 89 16.981 13.023 0.693 1.00 41.10 H new ATOM 0 HG11 VAL A 89 17.331 12.134 2.960 1.00 33.31 H new ATOM 0 HG12 VAL A 89 18.598 11.591 1.834 1.00 33.31 H new ATOM 0 HG13 VAL A 89 18.943 12.888 3.002 1.00 33.31 H new ATOM 0 HG21 VAL A 89 16.236 14.324 2.644 1.00 53.52 H new ATOM 0 HG22 VAL A 89 17.801 15.170 2.672 1.00 53.52 H new ATOM 0 HG23 VAL A 89 16.704 15.376 1.287 1.00 53.52 H new ATOM 1381 N SER A 90 18.135 13.727 -1.812 1.00 62.44 N ATOM 1382 CA SER A 90 17.622 14.187 -3.097 1.00 62.35 C ATOM 1383 C SER A 90 16.117 14.421 -3.030 1.00 13.22 C ATOM 1384 O SER A 90 15.520 14.385 -1.954 1.00 34.53 O ATOM 1385 CB SER A 90 17.942 13.168 -4.193 1.00 23.31 C ATOM 1386 OG SER A 90 18.807 13.722 -5.169 1.00 50.54 O ATOM 0 H SER A 90 18.292 12.721 -1.757 1.00 62.44 H new ATOM 0 HA SER A 90 18.109 15.133 -3.336 1.00 62.35 H new ATOM 0 HB2 SER A 90 18.406 12.287 -3.750 1.00 23.31 H new ATOM 0 HB3 SER A 90 17.018 12.837 -4.667 1.00 23.31 H new ATOM 0 HG SER A 90 18.997 13.050 -5.857 1.00 50.54 H new ATOM 1392 N ALA A 91 15.508 14.663 -4.186 1.00 1.32 N ATOM 1393 CA ALA A 91 14.073 14.902 -4.260 1.00 34.43 C ATOM 1394 C ALA A 91 13.290 13.714 -3.709 1.00 52.42 C ATOM 1395 O ALA A 91 13.788 12.966 -2.868 1.00 23.43 O ATOM 1396 CB ALA A 91 13.658 15.190 -5.694 1.00 63.22 C ATOM 0 H ALA A 91 15.988 14.699 -5.085 1.00 1.32 H new ATOM 0 HA ALA A 91 13.843 15.773 -3.646 1.00 34.43 H new ATOM 0 HB1 ALA A 91 12.583 15.366 -5.733 1.00 63.22 H new ATOM 0 HB2 ALA A 91 14.184 16.074 -6.055 1.00 63.22 H new ATOM 0 HB3 ALA A 91 13.909 14.336 -6.324 1.00 63.22 H new ATOM 1402 N SER A 92 12.061 13.549 -4.187 1.00 21.13 N ATOM 1403 CA SER A 92 11.207 12.454 -3.739 1.00 3.44 C ATOM 1404 C SER A 92 11.906 11.110 -3.923 1.00 42.12 C ATOM 1405 O SER A 92 11.503 10.103 -3.341 1.00 23.03 O ATOM 1406 CB SER A 92 9.884 12.464 -4.507 1.00 23.25 C ATOM 1407 OG SER A 92 8.780 12.475 -3.620 1.00 14.12 O ATOM 0 H SER A 92 11.634 14.159 -4.884 1.00 21.13 H new ATOM 0 HA SER A 92 11.003 12.595 -2.678 1.00 3.44 H new ATOM 0 HB2 SER A 92 9.843 13.340 -5.155 1.00 23.25 H new ATOM 0 HB3 SER A 92 9.828 11.587 -5.152 1.00 23.25 H new ATOM 0 HG SER A 92 8.760 13.325 -3.133 1.00 14.12 H new ATOM 1413 N THR A 93 12.956 11.103 -4.738 1.00 22.22 N ATOM 1414 CA THR A 93 13.710 9.885 -5.002 1.00 30.33 C ATOM 1415 C THR A 93 14.181 9.238 -3.704 1.00 11.11 C ATOM 1416 O THR A 93 14.289 8.014 -3.610 1.00 51.41 O ATOM 1417 CB THR A 93 14.933 10.163 -5.897 1.00 32.23 C ATOM 1418 OG1 THR A 93 14.509 10.715 -7.147 1.00 71.34 O ATOM 1419 CG2 THR A 93 15.726 8.888 -6.142 1.00 33.32 C ATOM 0 H THR A 93 13.303 11.928 -5.227 1.00 22.22 H new ATOM 0 HA THR A 93 13.037 9.203 -5.522 1.00 30.33 H new ATOM 0 HB THR A 93 15.576 10.878 -5.384 1.00 32.23 H new ATOM 0 HG1 THR A 93 15.292 10.891 -7.710 1.00 71.34 H new ATOM 0 HG21 THR A 93 16.584 9.110 -6.776 1.00 33.32 H new ATOM 0 HG22 THR A 93 16.073 8.486 -5.190 1.00 33.32 H new ATOM 0 HG23 THR A 93 15.090 8.153 -6.636 1.00 33.32 H new ATOM 1427 N THR A 94 14.461 10.067 -2.703 1.00 60.01 N ATOM 1428 CA THR A 94 14.920 9.576 -1.409 1.00 44.44 C ATOM 1429 C THR A 94 13.777 8.949 -0.621 1.00 11.32 C ATOM 1430 O THR A 94 12.924 9.653 -0.082 1.00 13.12 O ATOM 1431 CB THR A 94 15.549 10.705 -0.571 1.00 73.22 C ATOM 1432 OG1 THR A 94 16.017 10.185 0.678 1.00 55.31 O ATOM 1433 CG2 THR A 94 14.541 11.817 -0.319 1.00 42.20 C ATOM 0 H THR A 94 14.378 11.082 -2.764 1.00 60.01 H new ATOM 0 HA THR A 94 15.677 8.818 -1.609 1.00 44.44 H new ATOM 0 HB THR A 94 16.389 11.118 -1.129 1.00 73.22 H new ATOM 0 HG1 THR A 94 16.118 10.918 1.320 1.00 55.31 H new ATOM 0 HG21 THR A 94 15.007 12.603 0.275 1.00 42.20 H new ATOM 0 HG22 THR A 94 14.209 12.230 -1.272 1.00 42.20 H new ATOM 0 HG23 THR A 94 13.683 11.415 0.221 1.00 42.20 H new ATOM 1441 N GLU A 95 13.765 7.621 -0.558 1.00 4.24 N ATOM 1442 CA GLU A 95 12.725 6.900 0.166 1.00 12.11 C ATOM 1443 C GLU A 95 13.218 6.474 1.546 1.00 73.30 C ATOM 1444 O GLU A 95 13.321 5.282 1.839 1.00 1.45 O ATOM 1445 CB GLU A 95 12.276 5.673 -0.629 1.00 25.12 C ATOM 1446 CG GLU A 95 13.429 4.873 -1.217 1.00 15.44 C ATOM 1447 CD GLU A 95 13.261 3.380 -1.019 1.00 62.43 C ATOM 1448 OE1 GLU A 95 12.330 2.803 -1.620 1.00 22.42 O ATOM 1449 OE2 GLU A 95 14.061 2.787 -0.266 1.00 23.23 O ATOM 0 H GLU A 95 14.464 7.023 -1.000 1.00 4.24 H new ATOM 0 HA GLU A 95 11.876 7.571 0.294 1.00 12.11 H new ATOM 0 HB2 GLU A 95 11.689 5.024 0.021 1.00 25.12 H new ATOM 0 HB3 GLU A 95 11.619 5.994 -1.437 1.00 25.12 H new ATOM 0 HG2 GLU A 95 13.510 5.088 -2.283 1.00 15.44 H new ATOM 0 HG3 GLU A 95 14.363 5.195 -0.755 1.00 15.44 H new ATOM 1456 N LEU A 96 13.522 7.454 2.389 1.00 42.45 N ATOM 1457 CA LEU A 96 14.005 7.182 3.738 1.00 63.10 C ATOM 1458 C LEU A 96 13.024 6.296 4.499 1.00 73.33 C ATOM 1459 O LEU A 96 13.385 5.659 5.488 1.00 14.11 O ATOM 1460 CB LEU A 96 14.222 8.492 4.498 1.00 62.14 C ATOM 1461 CG LEU A 96 13.270 9.636 4.146 1.00 45.41 C ATOM 1462 CD1 LEU A 96 13.719 10.331 2.869 1.00 32.21 C ATOM 1463 CD2 LEU A 96 11.846 9.122 4.003 1.00 12.05 C ATOM 0 H LEU A 96 13.443 8.445 2.162 1.00 42.45 H new ATOM 0 HA LEU A 96 14.956 6.655 3.657 1.00 63.10 H new ATOM 0 HB2 LEU A 96 14.135 8.289 5.565 1.00 62.14 H new ATOM 0 HB3 LEU A 96 15.244 8.828 4.320 1.00 62.14 H new ATOM 0 HG LEU A 96 13.292 10.363 4.958 1.00 45.41 H new ATOM 0 HD11 LEU A 96 13.030 11.142 2.634 1.00 32.21 H new ATOM 0 HD12 LEU A 96 14.721 10.736 3.008 1.00 32.21 H new ATOM 0 HD13 LEU A 96 13.728 9.614 2.048 1.00 32.21 H new ATOM 0 HD21 LEU A 96 11.184 9.951 3.752 1.00 12.05 H new ATOM 0 HD22 LEU A 96 11.807 8.374 3.211 1.00 12.05 H new ATOM 0 HD23 LEU A 96 11.525 8.672 4.943 1.00 12.05 H new ATOM 1475 N VAL A 97 11.780 6.258 4.028 1.00 3.53 N ATOM 1476 CA VAL A 97 10.748 5.448 4.663 1.00 73.13 C ATOM 1477 C VAL A 97 9.535 5.291 3.751 1.00 5.31 C ATOM 1478 O VAL A 97 9.328 6.088 2.836 1.00 61.50 O ATOM 1479 CB VAL A 97 10.295 6.063 5.999 1.00 33.15 C ATOM 1480 CG1 VAL A 97 9.538 7.361 5.762 1.00 72.11 C ATOM 1481 CG2 VAL A 97 9.440 5.073 6.778 1.00 3.31 C ATOM 0 H VAL A 97 11.464 6.779 3.210 1.00 3.53 H new ATOM 0 HA VAL A 97 11.186 4.468 4.853 1.00 73.13 H new ATOM 0 HB VAL A 97 11.181 6.291 6.592 1.00 33.15 H new ATOM 0 HG11 VAL A 97 9.226 7.780 6.719 1.00 72.11 H new ATOM 0 HG12 VAL A 97 10.186 8.071 5.248 1.00 72.11 H new ATOM 0 HG13 VAL A 97 8.659 7.163 5.149 1.00 72.11 H new ATOM 0 HG21 VAL A 97 9.128 5.524 7.720 1.00 3.31 H new ATOM 0 HG22 VAL A 97 8.559 4.813 6.191 1.00 3.31 H new ATOM 0 HG23 VAL A 97 10.020 4.173 6.981 1.00 3.31 H new ATOM 1491 N ARG A 98 8.739 4.260 4.007 1.00 32.25 N ATOM 1492 CA ARG A 98 7.547 3.997 3.210 1.00 45.43 C ATOM 1493 C ARG A 98 6.381 3.577 4.098 1.00 75.14 C ATOM 1494 O ARG A 98 6.577 3.082 5.208 1.00 41.35 O ATOM 1495 CB ARG A 98 7.831 2.909 2.173 1.00 62.34 C ATOM 1496 CG ARG A 98 8.021 1.527 2.776 1.00 14.43 C ATOM 1497 CD ARG A 98 9.409 1.368 3.378 1.00 35.00 C ATOM 1498 NE ARG A 98 9.874 -0.015 3.322 1.00 2.15 N ATOM 1499 CZ ARG A 98 9.392 -0.985 4.092 1.00 54.23 C ATOM 1500 NH1 ARG A 98 8.434 -0.723 4.971 1.00 21.31 N ATOM 1501 NH2 ARG A 98 9.867 -2.218 3.983 1.00 72.44 N ATOM 0 H ARG A 98 8.898 3.592 4.761 1.00 32.25 H new ATOM 0 HA ARG A 98 7.275 4.918 2.695 1.00 45.43 H new ATOM 0 HB2 ARG A 98 7.007 2.875 1.460 1.00 62.34 H new ATOM 0 HB3 ARG A 98 8.727 3.178 1.613 1.00 62.34 H new ATOM 0 HG2 ARG A 98 7.268 1.358 3.546 1.00 14.43 H new ATOM 0 HG3 ARG A 98 7.867 0.769 2.008 1.00 14.43 H new ATOM 0 HD2 ARG A 98 10.111 2.009 2.844 1.00 35.00 H new ATOM 0 HD3 ARG A 98 9.395 1.704 4.415 1.00 35.00 H new ATOM 0 HE ARG A 98 10.609 -0.250 2.655 1.00 2.15 H new ATOM 0 HH11 ARG A 98 8.066 0.224 5.057 1.00 21.31 H new ATOM 0 HH12 ARG A 98 8.065 -1.469 5.561 1.00 21.31 H new ATOM 0 HH21 ARG A 98 10.603 -2.423 3.308 1.00 72.44 H new ATOM 0 HH22 ARG A 98 9.496 -2.962 4.575 1.00 72.44 H new ATOM 1515 N VAL A 99 5.164 3.777 3.601 1.00 75.30 N ATOM 1516 CA VAL A 99 3.964 3.417 4.349 1.00 45.44 C ATOM 1517 C VAL A 99 3.258 2.224 3.715 1.00 54.32 C ATOM 1518 O VAL A 99 3.207 2.096 2.491 1.00 40.41 O ATOM 1519 CB VAL A 99 2.979 4.599 4.430 1.00 21.14 C ATOM 1520 CG1 VAL A 99 1.585 4.109 4.792 1.00 22.33 C ATOM 1521 CG2 VAL A 99 3.467 5.631 5.436 1.00 44.33 C ATOM 0 H VAL A 99 4.983 4.186 2.684 1.00 75.30 H new ATOM 0 HA VAL A 99 4.286 3.151 5.356 1.00 45.44 H new ATOM 0 HB VAL A 99 2.928 5.075 3.451 1.00 21.14 H new ATOM 0 HG11 VAL A 99 0.903 4.958 4.845 1.00 22.33 H new ATOM 0 HG12 VAL A 99 1.236 3.410 4.032 1.00 22.33 H new ATOM 0 HG13 VAL A 99 1.615 3.608 5.759 1.00 22.33 H new ATOM 0 HG21 VAL A 99 2.759 6.459 5.480 1.00 44.33 H new ATOM 0 HG22 VAL A 99 3.548 5.170 6.420 1.00 44.33 H new ATOM 0 HG23 VAL A 99 4.444 6.005 5.129 1.00 44.33 H new ATOM 1531 N THR A 100 2.713 1.351 4.556 1.00 31.45 N ATOM 1532 CA THR A 100 2.011 0.166 4.080 1.00 54.34 C ATOM 1533 C THR A 100 0.539 0.203 4.477 1.00 14.14 C ATOM 1534 O THR A 100 0.115 1.067 5.244 1.00 31.53 O ATOM 1535 CB THR A 100 2.647 -1.124 4.628 1.00 12.23 C ATOM 1536 OG1 THR A 100 2.301 -1.294 6.007 1.00 53.41 O ATOM 1537 CG2 THR A 100 4.161 -1.085 4.481 1.00 20.04 C ATOM 0 H THR A 100 2.744 1.443 5.571 1.00 31.45 H new ATOM 0 HA THR A 100 2.092 0.167 2.993 1.00 54.34 H new ATOM 0 HB THR A 100 2.263 -1.966 4.051 1.00 12.23 H new ATOM 0 HG1 THR A 100 2.708 -2.118 6.347 1.00 53.41 H new ATOM 0 HG21 THR A 100 4.589 -2.007 4.875 1.00 20.04 H new ATOM 0 HG22 THR A 100 4.422 -0.985 3.427 1.00 20.04 H new ATOM 0 HG23 THR A 100 4.559 -0.235 5.035 1.00 20.04 H new ATOM 1545 N ASN A 101 -0.235 -0.741 3.952 1.00 32.01 N ATOM 1546 CA ASN A 101 -1.660 -0.817 4.254 1.00 24.21 C ATOM 1547 C ASN A 101 -2.417 0.334 3.597 1.00 21.22 C ATOM 1548 O ASN A 101 -1.833 1.143 2.874 1.00 72.30 O ATOM 1549 CB ASN A 101 -1.884 -0.792 5.767 1.00 32.33 C ATOM 1550 CG ASN A 101 -2.810 -1.900 6.232 1.00 21.44 C ATOM 1551 OD1 ASN A 101 -3.974 -1.958 5.836 1.00 12.14 O ATOM 1552 ND2 ASN A 101 -2.294 -2.786 7.076 1.00 21.02 N ATOM 0 H ASN A 101 0.100 -1.464 3.315 1.00 32.01 H new ATOM 0 HA ASN A 101 -2.042 -1.756 3.853 1.00 24.21 H new ATOM 0 HB2 ASN A 101 -0.924 -0.887 6.275 1.00 32.33 H new ATOM 0 HB3 ASN A 101 -2.303 0.173 6.054 1.00 32.33 H new ATOM 0 HD21 ASN A 101 -2.868 -3.554 7.423 1.00 21.02 H new ATOM 0 HD22 ASN A 101 -1.323 -2.698 7.377 1.00 21.02 H new ATOM 1559 N LEU A 102 -3.718 0.403 3.855 1.00 33.35 N ATOM 1560 CA LEU A 102 -4.555 1.455 3.291 1.00 53.31 C ATOM 1561 C LEU A 102 -4.640 1.328 1.773 1.00 31.11 C ATOM 1562 O LEU A 102 -3.720 0.823 1.131 1.00 54.41 O ATOM 1563 CB LEU A 102 -4.004 2.831 3.669 1.00 30.13 C ATOM 1564 CG LEU A 102 -4.947 3.738 4.460 1.00 74.35 C ATOM 1565 CD1 LEU A 102 -6.291 3.854 3.756 1.00 63.12 C ATOM 1566 CD2 LEU A 102 -5.130 3.213 5.877 1.00 62.42 C ATOM 0 H LEU A 102 -4.216 -0.258 4.452 1.00 33.35 H new ATOM 0 HA LEU A 102 -5.558 1.347 3.703 1.00 53.31 H new ATOM 0 HB2 LEU A 102 -3.095 2.688 4.253 1.00 30.13 H new ATOM 0 HB3 LEU A 102 -3.717 3.349 2.754 1.00 30.13 H new ATOM 0 HG LEU A 102 -4.501 4.731 4.517 1.00 74.35 H new ATOM 0 HD11 LEU A 102 -6.949 4.503 4.333 1.00 63.12 H new ATOM 0 HD12 LEU A 102 -6.146 4.276 2.762 1.00 63.12 H new ATOM 0 HD13 LEU A 102 -6.742 2.866 3.668 1.00 63.12 H new ATOM 0 HD21 LEU A 102 -5.804 3.871 6.425 1.00 62.42 H new ATOM 0 HD22 LEU A 102 -5.553 2.209 5.841 1.00 62.42 H new ATOM 0 HD23 LEU A 102 -4.164 3.182 6.381 1.00 62.42 H new ATOM 1578 N ASN A 103 -5.750 1.792 1.207 1.00 43.30 N ATOM 1579 CA ASN A 103 -5.954 1.733 -0.236 1.00 64.41 C ATOM 1580 C ASN A 103 -4.788 2.378 -0.978 1.00 4.31 C ATOM 1581 O ASN A 103 -4.105 3.264 -0.461 1.00 52.00 O ATOM 1582 CB ASN A 103 -7.262 2.428 -0.616 1.00 72.31 C ATOM 1583 CG ASN A 103 -8.480 1.584 -0.294 1.00 34.44 C ATOM 1584 OD1 ASN A 103 -8.693 0.528 -0.890 1.00 30.14 O ATOM 1585 ND2 ASN A 103 -9.287 2.048 0.654 1.00 21.44 N ATOM 0 H ASN A 103 -6.521 2.213 1.725 1.00 43.30 H new ATOM 0 HA ASN A 103 -6.010 0.684 -0.527 1.00 64.41 H new ATOM 0 HB2 ASN A 103 -7.332 3.379 -0.087 1.00 72.31 H new ATOM 0 HB3 ASN A 103 -7.253 2.656 -1.682 1.00 72.31 H new ATOM 0 HD21 ASN A 103 -10.122 1.524 0.914 1.00 21.44 H new ATOM 0 HD22 ASN A 103 -9.071 2.928 1.122 1.00 21.44 H new ATOM 1592 N PRO A 104 -4.552 1.927 -2.218 1.00 64.10 N ATOM 1593 CA PRO A 104 -3.469 2.448 -3.058 1.00 22.32 C ATOM 1594 C PRO A 104 -3.731 3.876 -3.522 1.00 61.24 C ATOM 1595 O PRO A 104 -4.403 4.096 -4.531 1.00 10.51 O ATOM 1596 CB PRO A 104 -3.455 1.490 -4.253 1.00 54.21 C ATOM 1597 CG PRO A 104 -4.841 0.947 -4.319 1.00 55.14 C ATOM 1598 CD PRO A 104 -5.325 0.873 -2.897 1.00 24.33 C ATOM 0 HA PRO A 104 -2.522 2.494 -2.520 1.00 22.32 H new ATOM 0 HB2 PRO A 104 -3.189 2.009 -5.174 1.00 54.21 H new ATOM 0 HB3 PRO A 104 -2.724 0.694 -4.114 1.00 54.21 H new ATOM 0 HG2 PRO A 104 -5.485 1.592 -4.917 1.00 55.14 H new ATOM 0 HG3 PRO A 104 -4.853 -0.037 -4.787 1.00 55.14 H new ATOM 0 HD2 PRO A 104 -6.398 1.054 -2.828 1.00 24.33 H new ATOM 0 HD3 PRO A 104 -5.138 -0.108 -2.459 1.00 24.33 H new ATOM 1606 N ILE A 105 -3.198 4.842 -2.782 1.00 34.51 N ATOM 1607 CA ILE A 105 -3.374 6.248 -3.119 1.00 61.35 C ATOM 1608 C ILE A 105 -2.046 6.891 -3.506 1.00 33.43 C ATOM 1609 O ILE A 105 -0.994 6.529 -2.980 1.00 25.43 O ATOM 1610 CB ILE A 105 -3.992 7.035 -1.949 1.00 15.11 C ATOM 1611 CG1 ILE A 105 -5.292 6.372 -1.491 1.00 10.23 C ATOM 1612 CG2 ILE A 105 -4.242 8.480 -2.356 1.00 12.14 C ATOM 1613 CD1 ILE A 105 -5.253 5.894 -0.056 1.00 11.30 C ATOM 0 H ILE A 105 -2.640 4.676 -1.944 1.00 34.51 H new ATOM 0 HA ILE A 105 -4.054 6.286 -3.970 1.00 61.35 H new ATOM 0 HB ILE A 105 -3.290 7.029 -1.115 1.00 15.11 H new ATOM 0 HG12 ILE A 105 -6.112 7.080 -1.607 1.00 10.23 H new ATOM 0 HG13 ILE A 105 -5.507 5.525 -2.142 1.00 10.23 H new ATOM 0 HG21 ILE A 105 -4.679 9.024 -1.518 1.00 12.14 H new ATOM 0 HG22 ILE A 105 -3.298 8.947 -2.639 1.00 12.14 H new ATOM 0 HG23 ILE A 105 -4.928 8.506 -3.203 1.00 12.14 H new ATOM 0 HD11 ILE A 105 -6.208 5.435 0.201 1.00 11.30 H new ATOM 0 HD12 ILE A 105 -4.454 5.162 0.062 1.00 11.30 H new ATOM 0 HD13 ILE A 105 -5.069 6.741 0.605 1.00 11.30 H new ATOM 1625 N TYR A 106 -2.103 7.848 -4.424 1.00 74.53 N ATOM 1626 CA TYR A 106 -0.905 8.542 -4.881 1.00 33.40 C ATOM 1627 C TYR A 106 -1.269 9.755 -5.733 1.00 23.31 C ATOM 1628 O TYR A 106 -2.150 9.683 -6.589 1.00 53.40 O ATOM 1629 CB TYR A 106 -0.014 7.592 -5.682 1.00 24.33 C ATOM 1630 CG TYR A 106 -0.779 6.707 -6.641 1.00 5.44 C ATOM 1631 CD1 TYR A 106 -1.346 5.513 -6.213 1.00 54.55 C ATOM 1632 CD2 TYR A 106 -0.933 7.066 -7.974 1.00 55.05 C ATOM 1633 CE1 TYR A 106 -2.045 4.703 -7.086 1.00 70.34 C ATOM 1634 CE2 TYR A 106 -1.632 6.263 -8.853 1.00 71.53 C ATOM 1635 CZ TYR A 106 -2.186 5.082 -8.406 1.00 11.15 C ATOM 1636 OH TYR A 106 -2.883 4.277 -9.278 1.00 42.20 O ATOM 0 H TYR A 106 -2.967 8.162 -4.867 1.00 74.53 H new ATOM 0 HA TYR A 106 -0.360 8.888 -4.003 1.00 33.40 H new ATOM 0 HB2 TYR A 106 0.714 8.177 -6.243 1.00 24.33 H new ATOM 0 HB3 TYR A 106 0.547 6.964 -4.990 1.00 24.33 H new ATOM 0 HD1 TYR A 106 -1.238 5.214 -5.181 1.00 54.55 H new ATOM 0 HD2 TYR A 106 -0.499 7.989 -8.329 1.00 55.05 H new ATOM 0 HE1 TYR A 106 -2.479 3.777 -6.738 1.00 70.34 H new ATOM 0 HE2 TYR A 106 -1.744 6.558 -9.886 1.00 71.53 H new ATOM 0 HH TYR A 106 -2.890 4.688 -10.168 1.00 42.20 H new ATOM 1646 N ALA A 107 -0.582 10.866 -5.492 1.00 25.11 N ATOM 1647 CA ALA A 107 -0.829 12.093 -6.237 1.00 52.44 C ATOM 1648 C ALA A 107 0.199 13.165 -5.890 1.00 14.14 C ATOM 1649 O ALA A 107 0.340 13.549 -4.728 1.00 1.40 O ATOM 1650 CB ALA A 107 -2.237 12.603 -5.964 1.00 15.32 C ATOM 0 H ALA A 107 0.150 10.941 -4.786 1.00 25.11 H new ATOM 0 HA ALA A 107 -0.735 11.867 -7.299 1.00 52.44 H new ATOM 0 HB1 ALA A 107 -2.407 13.520 -6.527 1.00 15.32 H new ATOM 0 HB2 ALA A 107 -2.963 11.849 -6.270 1.00 15.32 H new ATOM 0 HB3 ALA A 107 -2.351 12.805 -4.899 1.00 15.32 H new ATOM 1656 N ASP A 108 0.916 13.641 -6.902 1.00 15.02 N ATOM 1657 CA ASP A 108 1.932 14.668 -6.702 1.00 21.32 C ATOM 1658 C ASP A 108 1.740 15.820 -7.683 1.00 53.22 C ATOM 1659 O ASP A 108 0.958 15.720 -8.627 1.00 52.53 O ATOM 1660 CB ASP A 108 3.330 14.071 -6.865 1.00 5.03 C ATOM 1661 CG ASP A 108 4.048 13.907 -5.539 1.00 50.31 C ATOM 1662 OD1 ASP A 108 3.481 13.263 -4.632 1.00 45.12 O ATOM 1663 OD2 ASP A 108 5.178 14.424 -5.409 1.00 42.11 O ATOM 0 H ASP A 108 0.813 13.332 -7.869 1.00 15.02 H new ATOM 0 HA ASP A 108 1.827 15.056 -5.689 1.00 21.32 H new ATOM 0 HB2 ASP A 108 3.253 13.101 -7.355 1.00 5.03 H new ATOM 0 HB3 ASP A 108 3.922 14.712 -7.518 1.00 5.03 H new ATOM 1668 N GLY A 109 2.459 16.914 -7.453 1.00 1.15 N ATOM 1669 CA GLY A 109 2.353 18.070 -8.324 1.00 21.01 C ATOM 1670 C GLY A 109 3.545 18.209 -9.251 1.00 34.51 C ATOM 1671 O GLY A 109 3.383 18.419 -10.452 1.00 73.22 O ATOM 0 H GLY A 109 3.114 17.021 -6.678 1.00 1.15 H new ATOM 0 HA2 GLY A 109 1.442 17.991 -8.918 1.00 21.01 H new ATOM 0 HA3 GLY A 109 2.261 18.971 -7.717 1.00 21.01 H new ATOM 1675 N SER A 110 4.744 18.092 -8.690 1.00 42.25 N ATOM 1676 CA SER A 110 5.968 18.212 -9.475 1.00 60.32 C ATOM 1677 C SER A 110 6.007 17.166 -10.585 1.00 14.11 C ATOM 1678 O SER A 110 6.322 17.475 -11.735 1.00 1.41 O ATOM 1679 CB SER A 110 7.194 18.059 -8.573 1.00 32.24 C ATOM 1680 OG SER A 110 7.061 16.937 -7.716 1.00 52.33 O ATOM 0 H SER A 110 4.895 17.915 -7.697 1.00 42.25 H new ATOM 0 HA SER A 110 5.982 19.202 -9.931 1.00 60.32 H new ATOM 0 HB2 SER A 110 8.089 17.948 -9.186 1.00 32.24 H new ATOM 0 HB3 SER A 110 7.326 18.962 -7.977 1.00 32.24 H new ATOM 0 HG SER A 110 7.776 16.951 -7.046 1.00 52.33 H new ATOM 1686 N HIS A 111 5.682 15.926 -10.233 1.00 51.42 N ATOM 1687 CA HIS A 111 5.678 14.834 -11.199 1.00 24.41 C ATOM 1688 C HIS A 111 7.070 14.625 -11.790 1.00 51.51 C ATOM 1689 O HIS A 111 7.381 15.137 -12.866 1.00 64.24 O ATOM 1690 CB HIS A 111 4.674 15.115 -12.317 1.00 33.03 C ATOM 1691 CG HIS A 111 3.347 14.451 -12.111 1.00 4.42 C ATOM 1692 ND1 HIS A 111 2.277 15.080 -11.509 1.00 65.50 N ATOM 1693 CD2 HIS A 111 2.920 13.209 -12.432 1.00 63.54 C ATOM 1694 CE1 HIS A 111 1.249 14.250 -11.467 1.00 63.21 C ATOM 1695 NE2 HIS A 111 1.614 13.107 -12.022 1.00 54.32 N ATOM 0 H HIS A 111 5.418 15.653 -9.286 1.00 51.42 H new ATOM 0 HA HIS A 111 5.383 13.923 -10.677 1.00 24.41 H new ATOM 0 HB2 HIS A 111 4.524 16.192 -12.397 1.00 33.03 H new ATOM 0 HB3 HIS A 111 5.095 14.780 -13.265 1.00 33.03 H new ATOM 0 HD2 HIS A 111 3.499 12.440 -12.921 1.00 63.54 H new ATOM 0 HE1 HIS A 111 0.277 14.468 -11.050 1.00 63.21 H new ATOM 0 HE2 HIS A 111 1.022 12.283 -12.128 1.00 54.32 H new ATOM 1703 N HIS A 112 7.904 13.873 -11.078 1.00 71.24 N ATOM 1704 CA HIS A 112 9.262 13.599 -11.533 1.00 23.30 C ATOM 1705 C HIS A 112 9.744 12.246 -11.018 1.00 25.01 C ATOM 1706 O HIS A 112 10.906 12.093 -10.638 1.00 32.32 O ATOM 1707 CB HIS A 112 10.212 14.703 -11.067 1.00 34.25 C ATOM 1708 CG HIS A 112 10.367 14.769 -9.577 1.00 63.24 C ATOM 1709 ND1 HIS A 112 9.307 14.968 -8.719 1.00 2.43 N ATOM 1710 CD2 HIS A 112 11.468 14.659 -8.797 1.00 43.35 C ATOM 1711 CE1 HIS A 112 9.750 14.980 -7.474 1.00 50.30 C ATOM 1712 NE2 HIS A 112 11.057 14.795 -7.494 1.00 21.23 N ATOM 0 H HIS A 112 7.663 13.443 -10.185 1.00 71.24 H new ATOM 0 HA HIS A 112 9.255 13.573 -12.623 1.00 23.30 H new ATOM 0 HB2 HIS A 112 11.191 14.544 -11.519 1.00 34.25 H new ATOM 0 HB3 HIS A 112 9.846 15.664 -11.429 1.00 34.25 H new ATOM 0 HD1 HIS A 112 8.334 15.087 -9.001 1.00 2.43 H new ATOM 0 HD2 HIS A 112 12.480 14.495 -9.136 1.00 43.35 H new ATOM 0 HE1 HIS A 112 9.145 15.118 -6.590 1.00 50.30 H new ATOM 1720 N HIS A 113 8.845 11.268 -11.008 1.00 35.24 N ATOM 1721 CA HIS A 113 9.178 9.927 -10.538 1.00 65.12 C ATOM 1722 C HIS A 113 9.567 9.025 -11.706 1.00 22.53 C ATOM 1723 O HIS A 113 8.975 9.095 -12.784 1.00 4.53 O ATOM 1724 CB HIS A 113 7.997 9.319 -9.782 1.00 40.11 C ATOM 1725 CG HIS A 113 6.833 8.979 -10.661 1.00 30.22 C ATOM 1726 ND1 HIS A 113 6.414 7.685 -10.888 1.00 33.04 N ATOM 1727 CD2 HIS A 113 5.997 9.773 -11.371 1.00 25.10 C ATOM 1728 CE1 HIS A 113 5.372 7.697 -11.699 1.00 63.32 C ATOM 1729 NE2 HIS A 113 5.099 8.952 -12.007 1.00 53.23 N ATOM 0 H HIS A 113 7.880 11.378 -11.320 1.00 35.24 H new ATOM 0 HA HIS A 113 10.029 10.007 -9.862 1.00 65.12 H new ATOM 0 HB2 HIS A 113 8.330 8.417 -9.270 1.00 40.11 H new ATOM 0 HB3 HIS A 113 7.669 10.019 -9.014 1.00 40.11 H new ATOM 0 HD2 HIS A 113 6.030 10.851 -11.427 1.00 25.10 H new ATOM 0 HE1 HIS A 113 4.835 6.829 -12.051 1.00 63.32 H new ATOM 0 HE2 HIS A 113 4.343 9.261 -12.618 1.00 53.23 H new ATOM 1737 N HIS A 114 10.568 8.177 -11.484 1.00 52.41 N ATOM 1738 CA HIS A 114 11.036 7.261 -12.518 1.00 13.22 C ATOM 1739 C HIS A 114 11.450 5.924 -11.911 1.00 21.32 C ATOM 1740 O HIS A 114 12.360 5.260 -12.409 1.00 24.31 O ATOM 1741 CB HIS A 114 12.212 7.875 -13.278 1.00 3.51 C ATOM 1742 CG HIS A 114 12.253 7.496 -14.727 1.00 34.51 C ATOM 1743 ND1 HIS A 114 12.507 6.212 -15.161 1.00 24.40 N ATOM 1744 CD2 HIS A 114 12.067 8.239 -15.842 1.00 72.53 C ATOM 1745 CE1 HIS A 114 12.478 6.183 -16.481 1.00 64.03 C ATOM 1746 NE2 HIS A 114 12.212 7.400 -16.920 1.00 42.22 N ATOM 0 H HIS A 114 11.069 8.106 -10.599 1.00 52.41 H new ATOM 0 HA HIS A 114 10.215 7.086 -13.213 1.00 13.22 H new ATOM 0 HB2 HIS A 114 12.160 8.961 -13.196 1.00 3.51 H new ATOM 0 HB3 HIS A 114 13.143 7.564 -12.803 1.00 3.51 H new ATOM 0 HD1 HIS A 114 12.689 5.410 -14.557 1.00 24.40 H new ATOM 0 HD2 HIS A 114 11.846 9.295 -15.878 1.00 72.53 H new ATOM 0 HE1 HIS A 114 12.644 5.312 -17.097 1.00 64.03 H new ATOM 1754 N HIS A 115 10.776 5.534 -10.833 1.00 41.34 N ATOM 1755 CA HIS A 115 11.075 4.276 -10.159 1.00 31.40 C ATOM 1756 C HIS A 115 10.559 3.090 -10.969 1.00 73.02 C ATOM 1757 O HIS A 115 11.247 2.078 -11.115 1.00 53.24 O ATOM 1758 CB HIS A 115 10.455 4.262 -8.762 1.00 43.31 C ATOM 1759 CG HIS A 115 11.370 4.782 -7.696 1.00 71.31 C ATOM 1760 ND1 HIS A 115 12.281 3.987 -7.032 1.00 71.35 N ATOM 1761 CD2 HIS A 115 11.513 6.025 -7.180 1.00 74.23 C ATOM 1762 CE1 HIS A 115 12.942 4.718 -6.153 1.00 62.22 C ATOM 1763 NE2 HIS A 115 12.495 5.959 -6.223 1.00 65.04 N ATOM 0 H HIS A 115 10.020 6.071 -10.408 1.00 41.34 H new ATOM 0 HA HIS A 115 12.158 4.189 -10.069 1.00 31.40 H new ATOM 0 HB2 HIS A 115 9.544 4.861 -8.772 1.00 43.31 H new ATOM 0 HB3 HIS A 115 10.163 3.242 -8.513 1.00 43.31 H new ATOM 0 HD2 HIS A 115 10.958 6.905 -7.468 1.00 74.23 H new ATOM 0 HE1 HIS A 115 13.716 4.362 -5.490 1.00 62.22 H new ATOM 0 HE2 HIS A 115 12.826 6.741 -5.658 1.00 65.04 H new ATOM 1771 N HIS A 116 9.343 3.220 -11.491 1.00 64.00 N ATOM 1772 CA HIS A 116 8.735 2.159 -12.285 1.00 65.32 C ATOM 1773 C HIS A 116 8.591 0.881 -11.465 1.00 72.15 C ATOM 1774 O HIS A 116 8.006 0.923 -10.383 1.00 73.45 O ATOM 1775 CB HIS A 116 9.573 1.884 -13.535 1.00 13.41 C ATOM 1776 CG HIS A 116 8.753 1.667 -14.770 1.00 31.33 C ATOM 1777 ND1 HIS A 116 8.084 0.489 -15.030 1.00 43.14 N ATOM 1778 CD2 HIS A 116 8.496 2.485 -15.816 1.00 64.53 C ATOM 1779 CE1 HIS A 116 7.452 0.593 -16.186 1.00 32.33 C ATOM 1780 NE2 HIS A 116 7.685 1.793 -16.684 1.00 75.21 N ATOM 0 H HIS A 116 8.760 4.049 -11.378 1.00 64.00 H new ATOM 0 HA HIS A 116 7.742 2.490 -12.588 1.00 65.32 H new ATOM 0 HB2 HIS A 116 10.249 2.722 -13.701 1.00 13.41 H new ATOM 0 HB3 HIS A 116 10.192 1.004 -13.361 1.00 13.41 H new ATOM 0 HD2 HIS A 116 8.860 3.494 -15.945 1.00 64.53 H new ATOM 0 HE1 HIS A 116 6.847 -0.174 -16.646 1.00 32.33 H new ATOM 0 HE2 HIS A 116 7.322 2.149 -17.569 1.00 75.21 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 24.804 28.586 11.462 1.00 20.13 C HETATM 1790 N2 B6D A 117 25.076 26.141 11.502 1.00 73.51 N HETATM 1791 C3 B6D A 117 24.747 27.357 13.660 1.00 22.43 C HETATM 1792 C4 B6D A 117 25.075 28.674 14.388 1.00 73.12 C HETATM 1793 C5 B6D A 117 24.575 29.889 13.580 1.00 22.14 C HETATM 1794 C6 B6D A 117 25.027 31.235 14.145 1.00 52.15 C HETATM 1795 C7 B6D A 117 26.028 25.256 11.052 1.00 43.40 C HETATM 1796 C8 B6D A 117 25.504 24.091 10.177 1.00 62.15 C HETATM 1797 C9 B6D A 117 22.750 28.944 17.464 1.00 30.43 C HETATM 1798 C2 B6D A 117 25.361 27.380 12.242 1.00 44.23 C HETATM 1799 O7 B6D A 117 27.212 25.339 11.324 1.00 64.42 O HETATM 1800 N4 B6D A 117 24.478 28.686 15.731 1.00 21.40 N HETATM 1801 C10 B6D A 117 23.134 28.822 15.977 1.00 45.13 C HETATM 1802 O10 B6D A 117 22.282 28.828 15.106 1.00 70.42 O HETATM 1803 O5 B6D A 117 25.123 29.821 12.205 1.00 44.41 O HETATM 1804 O3 B6D A 117 25.327 26.240 14.429 1.00 52.22 O HETATM 0 HN4 B6D A 117 25.102 28.587 16.532 1.00 21.40 H new HETATM 0 HN2 B6D A 117 24.099 25.922 11.308 1.00 73.51 H new HETATM 0 H9B B6D A 117 23.075 28.051 17.998 1.00 30.43 H new HETATM 0 H9A B6D A 117 23.235 29.820 17.894 1.00 30.43 H new HETATM 0 H9 B6D A 117 21.669 29.047 17.553 1.00 30.43 H new HETATM 0 H8B B6D A 117 24.786 23.502 10.748 1.00 62.15 H new HETATM 0 H8A B6D A 117 25.018 24.494 9.288 1.00 62.15 H new HETATM 0 H8 B6D A 117 26.338 23.456 9.878 1.00 62.15 H new HETATM 0 H6B B6D A 117 24.652 31.347 15.162 1.00 52.15 H new HETATM 0 H6A B6D A 117 26.116 31.279 14.153 1.00 52.15 H new HETATM 0 H6 B6D A 117 24.636 32.040 13.523 1.00 52.15 H new HETATM 0 H5 B6D A 117 23.487 29.837 13.618 1.00 22.14 H new HETATM 0 H4 B6D A 117 26.159 28.742 14.483 1.00 73.12 H new HETATM 0 H3 B6D A 117 23.667 27.236 13.578 1.00 22.43 H new HETATM 0 H2 B6D A 117 26.443 27.464 12.346 1.00 44.23 H new HETATM 1821 C1 A2G A 118 24.351 25.416 15.189 1.00 42.32 C HETATM 1822 C2 A2G A 118 25.055 24.789 16.402 1.00 52.12 C HETATM 1823 C3 A2G A 118 26.216 23.916 15.888 1.00 21.33 C HETATM 1824 C4 A2G A 118 25.661 22.747 14.962 1.00 31.12 C HETATM 1825 C5 A2G A 118 24.790 23.326 13.867 1.00 13.53 C HETATM 1826 C6 A2G A 118 24.110 22.327 12.921 1.00 34.12 C HETATM 1827 C7 A2G A 118 25.185 25.776 18.696 1.00 52.40 C HETATM 1828 C8 A2G A 118 25.744 26.937 19.540 1.00 15.21 C HETATM 1829 O A2G A 118 23.794 24.310 14.377 1.00 62.24 O HETATM 1830 O3 A2G A 118 26.994 23.405 16.975 1.00 32.31 O HETATM 1831 O4 A2G A 118 24.828 21.855 15.791 1.00 53.44 O HETATM 1832 O6 A2G A 118 22.898 22.876 12.392 1.00 63.11 O HETATM 1833 O7 A2G A 118 24.540 24.881 19.216 1.00 3.04 O HETATM 1834 N2 A2G A 118 25.484 25.821 17.355 1.00 13.43 N HETATM 0 HO3 A2G A 118 27.724 22.853 16.624 1.00 32.31 H new HETATM 0 HN2 A2G A 118 26.030 26.609 17.005 1.00 13.43 H new HETATM 0 H8B A2G A 118 26.832 26.948 19.468 1.00 15.21 H new HETATM 0 H8A A2G A 118 25.346 27.881 19.168 1.00 15.21 H new HETATM 0 H8 A2G A 118 25.450 26.804 20.581 1.00 15.21 H new HETATM 0 H6 A2G A 118 23.893 21.402 13.455 1.00 34.12 H new HETATM 0 H5 A2G A 118 25.527 23.839 13.250 1.00 13.53 H new HETATM 0 H4 A2G A 118 26.496 22.206 14.518 1.00 31.12 H new HETATM 0 H3 A2G A 118 26.877 24.537 15.283 1.00 21.33 H new HETATM 0 H2 A2G A 118 24.367 24.152 16.958 1.00 52.12 H new HETATM 0 H15 A2G A 118 22.606 23.625 12.952 1.00 63.11 H new HETATM 0 H14 A2G A 118 24.787 22.073 12.105 1.00 34.12 H new HETATM 1848 C1 A2G A 119 24.986 20.403 15.521 1.00 42.53 C HETATM 1849 C2 A2G A 119 23.688 19.674 15.900 1.00 53.31 C HETATM 1850 C3 A2G A 119 23.415 19.920 17.396 1.00 21.23 C HETATM 1851 C4 A2G A 119 24.602 19.333 18.279 1.00 41.54 C HETATM 1852 C5 A2G A 119 25.925 19.885 17.792 1.00 24.40 C HETATM 1853 C6 A2G A 119 27.192 19.365 18.488 1.00 73.34 C HETATM 1854 C7 A2G A 119 21.615 19.220 14.576 1.00 2.31 C HETATM 1855 C8 A2G A 119 20.564 19.830 13.631 1.00 53.35 C HETATM 1856 O A2G A 119 26.083 19.799 16.313 1.00 23.32 O HETATM 1857 O3 A2G A 119 22.150 19.375 17.784 1.00 20.55 O HETATM 1858 O4 A2G A 119 24.624 17.869 18.112 1.00 52.01 O HETATM 1859 O6 A2G A 119 28.286 20.264 18.287 1.00 11.42 O HETATM 1860 O7 A2G A 119 21.558 18.045 14.897 1.00 74.21 O HETATM 1861 N2 A2G A 119 22.577 20.089 15.031 1.00 15.42 N HETATM 0 HO3 A2G A 119 22.000 19.542 18.738 1.00 20.55 H new HETATM 0 HN2 A2G A 119 22.518 21.069 14.753 1.00 15.42 H new HETATM 0 H8B A2G A 119 20.035 20.632 14.145 1.00 53.35 H new HETATM 0 H8A A2G A 119 21.059 20.231 12.746 1.00 53.35 H new HETATM 0 H8 A2G A 119 19.853 19.060 13.332 1.00 53.35 H new HETATM 0 H6 A2G A 119 27.448 18.380 18.098 1.00 73.34 H new HETATM 0 H5 A2G A 119 25.847 20.930 18.091 1.00 24.40 H new HETATM 0 H4 A2G A 119 24.451 19.607 19.323 1.00 41.54 H new HETATM 0 H3 A2G A 119 23.369 20.995 17.568 1.00 21.23 H new HETATM 0 H2 A2G A 119 23.791 18.600 15.744 1.00 53.31 H new HETATM 0 H15 A2G A 119 29.083 19.916 18.739 1.00 11.42 H new HETATM 0 H14 A2G A 119 27.004 19.247 19.555 1.00 73.34 H new HETATM 1875 C1 A2G A 120 24.727 17.087 19.371 1.00 31.34 C HETATM 1876 C2 A2G A 120 25.417 15.745 19.078 1.00 72.43 C HETATM 1877 C3 A2G A 120 24.572 14.986 18.036 1.00 11.44 C HETATM 1878 C4 A2G A 120 23.118 14.693 18.610 1.00 13.11 C HETATM 1879 C5 A2G A 120 22.488 15.981 19.097 1.00 1.53 C HETATM 1880 C6 A2G A 120 21.104 15.872 19.753 1.00 3.21 C HETATM 1881 C7 A2G A 120 27.803 16.346 19.520 1.00 43.23 C HETATM 1882 C8 A2G A 120 29.215 16.432 18.911 1.00 43.30 C HETATM 1883 O A2G A 120 23.400 16.786 19.958 1.00 31.44 O HETATM 1884 O3 A2G A 120 25.228 13.783 17.622 1.00 32.22 O HETATM 1885 O4 A2G A 120 23.248 13.781 19.761 1.00 73.20 O HETATM 1886 O6 A2G A 120 20.309 17.024 19.455 1.00 45.41 O HETATM 1887 O7 A2G A 120 27.616 16.600 20.698 1.00 23.40 O HETATM 1888 N2 A2G A 120 26.810 15.949 18.658 1.00 53.05 N HETATM 0 HN2 A2G A 120 27.051 15.788 17.680 1.00 53.05 H new HETATM 0 H8B A2G A 120 29.509 15.452 18.534 1.00 43.30 H new HETATM 0 H8A A2G A 120 29.215 17.151 18.091 1.00 43.30 H new HETATM 0 H8 A2G A 120 29.922 16.754 19.676 1.00 43.30 H new HETATM 0 H6 A2G A 120 21.215 15.770 20.833 1.00 3.21 H new HETATM 0 H5 A2G A 120 22.314 16.505 18.157 1.00 1.53 H new HETATM 0 H4 A2G A 120 22.499 14.254 17.828 1.00 13.11 H new HETATM 0 H3 A2G A 120 24.463 15.615 17.152 1.00 11.44 H new HETATM 0 H2 A2G A 120 25.474 15.137 19.981 1.00 72.43 H new HETATM 0 H15 A2G A 120 19.431 16.934 19.881 1.00 45.41 H new HETATM 0 H14 A2G A 120 20.598 14.974 19.399 1.00 3.21 H new HETATM 1901 C1 A2G A 121 22.228 12.703 19.838 1.00 61.23 C HETATM 1902 C2 A2G A 121 21.926 12.396 21.312 1.00 12.54 C HETATM 1903 C3 A2G A 121 23.235 11.951 21.991 1.00 51.12 C HETATM 1904 C4 A2G A 121 23.795 10.630 21.303 1.00 53.11 C HETATM 1905 C5 A2G A 121 23.913 10.839 19.809 1.00 54.04 C HETATM 1906 C6 A2G A 121 24.370 9.635 18.974 1.00 1.21 C HETATM 1907 C7 A2G A 121 19.984 13.546 22.390 1.00 11.13 C HETATM 1908 C8 A2G A 121 19.500 14.845 23.063 1.00 23.12 C HETATM 1909 O A2G A 121 22.690 11.444 19.208 1.00 62.24 O HETATM 1910 O3 A2G A 121 23.049 11.775 23.399 1.00 14.33 O HETATM 1911 O4 A2G A 121 22.831 9.541 21.542 1.00 63.32 O HETATM 1912 O6 A2G A 121 23.413 9.332 17.954 1.00 74.01 O HETATM 1913 O7 A2G A 121 19.236 12.590 22.272 1.00 62.34 O HETATM 1914 N2 A2G A 121 21.292 13.547 21.971 1.00 40.10 N HETATM 0 HO3 A2G A 121 23.893 11.491 23.808 1.00 14.33 H new HETATM 0 HN2 A2G A 121 21.850 14.387 22.124 1.00 40.10 H new HETATM 0 H8B A2G A 121 20.105 15.044 23.948 1.00 23.12 H new HETATM 0 H8A A2G A 121 19.597 15.675 22.363 1.00 23.12 H new HETATM 0 H8 A2G A 121 18.455 14.736 23.355 1.00 23.12 H new HETATM 0 H6 A2G A 121 24.506 8.768 19.621 1.00 1.21 H new HETATM 0 H5 A2G A 121 24.738 11.549 19.754 1.00 54.04 H new HETATM 0 H4 A2G A 121 24.774 10.388 21.717 1.00 53.11 H new HETATM 0 H3 A2G A 121 23.978 12.737 21.860 1.00 51.12 H new HETATM 0 H2 A2G A 121 21.205 11.583 21.395 1.00 12.54 H new HETATM 0 H15 A2G A 121 22.584 9.011 18.368 1.00 74.01 H new HETATM 0 H14 A2G A 121 25.338 9.848 18.520 1.00 1.21 H new HETATM 1928 C1 A2G A 122 23.420 8.262 22.017 1.00 53.00 C HETATM 1929 C2 A2G A 122 22.542 7.094 21.543 1.00 21.35 C HETATM 1930 C3 A2G A 122 21.128 7.286 22.124 1.00 64.43 C HETATM 1931 C4 A2G A 122 21.176 7.272 23.714 1.00 0.21 C HETATM 1932 C5 A2G A 122 22.190 8.283 24.206 1.00 55.41 C HETATM 1933 C6 A2G A 122 22.419 8.352 25.722 1.00 13.43 C HETATM 1934 C7 A2G A 122 23.309 6.047 19.405 1.00 74.10 C HETATM 1935 C8 A2G A 122 23.223 6.110 17.868 1.00 53.12 C HETATM 1936 O A2G A 122 23.496 8.192 23.495 1.00 35.34 O HETATM 1937 O3 A2G A 122 20.226 6.298 21.615 1.00 73.30 O HETATM 1938 O4 A2G A 122 21.609 5.934 24.153 1.00 32.30 O HETATM 1939 O6 A2G A 122 22.663 9.700 26.137 1.00 12.45 O HETATM 1940 O7 A2G A 122 23.989 5.199 19.957 1.00 14.42 O HETATM 1941 N2 A2G A 122 22.559 6.982 20.078 1.00 42.01 N HETATM 0 HO4 A2G A 122 22.588 5.903 24.192 1.00 32.30 H new HETATM 0 HO3 A2G A 122 19.336 6.439 21.999 1.00 73.30 H new HETATM 0 HN2 A2G A 122 21.987 7.629 19.535 1.00 42.01 H new HETATM 0 H8B A2G A 122 22.190 5.959 17.555 1.00 53.12 H new HETATM 0 H8A A2G A 122 23.567 7.085 17.524 1.00 53.12 H new HETATM 0 H8 A2G A 122 23.851 5.331 17.436 1.00 53.12 H new HETATM 0 H6 A2G A 122 23.266 7.723 25.996 1.00 13.43 H new HETATM 0 H5 A2G A 122 21.701 9.223 23.951 1.00 55.41 H new HETATM 0 H4 A2G A 122 20.191 7.516 24.111 1.00 0.21 H new HETATM 0 H3 A2G A 122 20.752 8.259 21.809 1.00 64.43 H new HETATM 0 H2 A2G A 122 22.935 6.145 21.908 1.00 21.35 H new HETATM 0 H15 A2G A 122 22.805 9.723 27.106 1.00 12.45 H new HETATM 0 H14 A2G A 122 21.547 7.958 26.245 1.00 13.43 H new HETATM 1955 C2 BGC A 123 25.874 12.236 15.836 1.00 1.35 C HETATM 1956 C3 BGC A 123 25.405 11.303 14.701 1.00 20.22 C HETATM 1957 C4 BGC A 123 24.018 10.688 14.969 1.00 50.20 C HETATM 1958 C5 BGC A 123 22.996 11.775 15.350 1.00 21.23 C HETATM 1959 C6 BGC A 123 21.588 11.260 15.680 1.00 51.22 C HETATM 1960 C1 BGC A 123 24.775 13.186 16.357 1.00 52.32 C HETATM 1961 O2 BGC A 123 26.949 13.048 15.333 1.00 31.00 O HETATM 1962 O3 BGC A 123 26.358 10.229 14.592 1.00 51.45 O HETATM 1963 O4 BGC A 123 23.565 10.050 13.762 1.00 43.24 O HETATM 1964 O5 BGC A 123 23.517 12.440 16.561 1.00 33.03 O HETATM 1965 O6 BGC A 123 21.680 9.878 16.054 1.00 12.05 O HETATM 0 H6C2 BGC A 123 21.153 11.843 16.492 1.00 51.22 H new HETATM 0 H6C1 BGC A 123 20.932 11.375 14.817 1.00 51.22 H new HETATM 0 HD BGC A 123 22.765 9.518 13.954 1.00 43.24 H new HETATM 0 HC BGC A 123 26.082 9.618 13.877 1.00 51.45 H new HETATM 0 HB BGC A 123 27.262 13.651 16.039 1.00 31.00 H new HETATM 0 H6 BGC A 123 22.289 9.785 16.816 1.00 12.05 H new HETATM 0 H5 BGC A 123 22.887 12.426 14.483 1.00 21.23 H new HETATM 0 H4 BGC A 123 24.102 9.977 15.791 1.00 50.20 H new HETATM 0 H3 BGC A 123 25.333 11.894 13.788 1.00 20.22 H new HETATM 0 H2 BGC A 123 26.172 11.597 16.667 1.00 1.35 H new