USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 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 24:sc= 1.03 USER MOD Set 1.2: A 123 BGC O6 : rot -44:sc= 1.42 USER MOD Set 2.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 34 GLN : amide:sc= -3.24! C(o=-2.9!,f=-4.5!) USER MOD Set 4.2: A 68 THR OG1 : rot 63:sc= 0.333 USER MOD Single : A 1 ASP N :NH3+ 166:sc= 0 (180deg=-0.229) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -0.795 (180deg=-2) USER MOD Single : A 7 GLN : amide:sc= -0.0745 X(o=-0.074,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 F(o=-1.3,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 36 GLN : amide:sc= -2.43 K(o=-2.4,f=-5.3!) USER MOD Single : A 38 SER OG : rot -170:sc= -0.255 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -108:sc= 0.0614 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -0.211 (180deg=-0.811) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 130:sc= -0.0599 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.242 F(o=-1.7,f=-0.24) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0383) 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 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 13:sc= 0.817 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 100 THR OG1 : rot 51:sc= -0.235 USER MOD Single : A 101 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.5!) 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 110 SER OG : rot -107:sc= 0.199 USER MOD Single : A 111 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=-0.28) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 114 HIS : no HE2:sc= 0.219 K(o=0.22,f=-1.5) USER MOD Single : A 115 HIS : no HD1:sc=-0.00506 X(o=-0.0051,f=-0.0051) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 A2G O6 : rot -12:sc= -0.0913 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= -0.073 USER MOD Single : A 122 A2G O4 : rot -180:sc= 0.43 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0.391 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 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.328 0.000 0.000 1.00 4.00 N ATOM 2 CA ASP A 1 2.093 -0.001 -1.242 1.00 0.02 C ATOM 3 C ASP A 1 2.476 1.419 -1.645 1.00 51.53 C ATOM 4 O ASP A 1 2.419 1.779 -2.822 1.00 22.45 O ATOM 5 CB ASP A 1 1.288 -0.663 -2.361 1.00 53.10 C ATOM 6 CG ASP A 1 -0.106 -0.082 -2.493 1.00 14.23 C ATOM 7 OD1 ASP A 1 -0.245 1.156 -2.400 1.00 1.05 O ATOM 8 OD2 ASP A 1 -1.059 -0.865 -2.690 1.00 2.22 O ATOM 0 H1 ASP A 1 0.879 -0.929 0.132 1.00 4.00 H new ATOM 0 H2 ASP A 1 1.964 0.194 0.799 1.00 4.00 H new ATOM 0 H3 ASP A 1 0.594 0.736 -0.045 1.00 4.00 H new ATOM 0 HA ASP A 1 3.007 -0.571 -1.077 1.00 0.02 H new ATOM 0 HB2 ASP A 1 1.819 -0.544 -3.306 1.00 53.10 H new ATOM 0 HB3 ASP A 1 1.216 -1.733 -2.168 1.00 53.10 H new ATOM 13 N VAL A 2 2.865 2.224 -0.661 1.00 51.35 N ATOM 14 CA VAL A 2 3.257 3.606 -0.914 1.00 22.33 C ATOM 15 C VAL A 2 4.488 3.985 -0.097 1.00 55.44 C ATOM 16 O VAL A 2 4.680 3.498 1.017 1.00 11.10 O ATOM 17 CB VAL A 2 2.114 4.583 -0.583 1.00 53.12 C ATOM 18 CG1 VAL A 2 2.560 6.021 -0.802 1.00 73.33 C ATOM 19 CG2 VAL A 2 0.883 4.265 -1.419 1.00 20.22 C ATOM 0 H VAL A 2 2.917 1.943 0.318 1.00 51.35 H new ATOM 0 HA VAL A 2 3.491 3.680 -1.976 1.00 22.33 H new ATOM 0 HB VAL A 2 1.852 4.465 0.468 1.00 53.12 H new ATOM 0 HG11 VAL A 2 1.739 6.697 -0.563 1.00 73.33 H new ATOM 0 HG12 VAL A 2 3.410 6.240 -0.156 1.00 73.33 H new ATOM 0 HG13 VAL A 2 2.851 6.157 -1.844 1.00 73.33 H new ATOM 0 HG21 VAL A 2 0.085 4.965 -1.172 1.00 20.22 H new ATOM 0 HG22 VAL A 2 1.129 4.353 -2.477 1.00 20.22 H new ATOM 0 HG23 VAL A 2 0.552 3.248 -1.207 1.00 20.22 H new ATOM 29 N ILE A 3 5.317 4.858 -0.659 1.00 41.11 N ATOM 30 CA ILE A 3 6.528 5.305 0.018 1.00 64.43 C ATOM 31 C ILE A 3 6.483 6.803 0.294 1.00 10.53 C ATOM 32 O ILE A 3 6.108 7.594 -0.573 1.00 23.43 O ATOM 33 CB ILE A 3 7.787 4.985 -0.811 1.00 33.33 C ATOM 34 CG1 ILE A 3 7.825 3.497 -1.166 1.00 42.03 C ATOM 35 CG2 ILE A 3 9.040 5.385 -0.047 1.00 32.14 C ATOM 36 CD1 ILE A 3 9.066 3.090 -1.930 1.00 0.21 C ATOM 0 H ILE A 3 5.172 5.270 -1.581 1.00 41.11 H new ATOM 0 HA ILE A 3 6.578 4.765 0.964 1.00 64.43 H new ATOM 0 HB ILE A 3 7.751 5.560 -1.737 1.00 33.33 H new ATOM 0 HG12 ILE A 3 7.764 2.911 -0.249 1.00 42.03 H new ATOM 0 HG13 ILE A 3 6.945 3.251 -1.760 1.00 42.03 H new ATOM 0 HG21 ILE A 3 9.921 5.153 -0.646 1.00 32.14 H new ATOM 0 HG22 ILE A 3 9.014 6.455 0.160 1.00 32.14 H new ATOM 0 HG23 ILE A 3 9.084 4.834 0.893 1.00 32.14 H new ATOM 0 HD11 ILE A 3 9.025 2.023 -2.148 1.00 0.21 H new ATOM 0 HD12 ILE A 3 9.118 3.649 -2.864 1.00 0.21 H new ATOM 0 HD13 ILE A 3 9.950 3.304 -1.329 1.00 0.21 H new ATOM 48 N ILE A 4 6.868 7.188 1.506 1.00 24.24 N ATOM 49 CA ILE A 4 6.874 8.592 1.896 1.00 44.40 C ATOM 50 C ILE A 4 8.032 9.339 1.243 1.00 44.14 C ATOM 51 O ILE A 4 9.198 8.996 1.441 1.00 60.22 O ATOM 52 CB ILE A 4 6.973 8.752 3.425 1.00 55.24 C ATOM 53 CG1 ILE A 4 5.736 8.157 4.102 1.00 43.21 C ATOM 54 CG2 ILE A 4 7.131 10.219 3.795 1.00 44.34 C ATOM 55 CD1 ILE A 4 5.862 8.055 5.606 1.00 72.52 C ATOM 0 H ILE A 4 7.180 6.547 2.235 1.00 24.24 H new ATOM 0 HA ILE A 4 5.930 9.018 1.554 1.00 44.40 H new ATOM 0 HB ILE A 4 7.852 8.212 3.776 1.00 55.24 H new ATOM 0 HG12 ILE A 4 4.868 8.770 3.859 1.00 43.21 H new ATOM 0 HG13 ILE A 4 5.550 7.164 3.693 1.00 43.21 H new ATOM 0 HG21 ILE A 4 7.200 10.316 4.879 1.00 44.34 H new ATOM 0 HG22 ILE A 4 8.038 10.614 3.337 1.00 44.34 H new ATOM 0 HG23 ILE A 4 6.269 10.780 3.435 1.00 44.34 H new ATOM 0 HD11 ILE A 4 4.950 7.625 6.019 1.00 72.52 H new ATOM 0 HD12 ILE A 4 6.710 7.418 5.858 1.00 72.52 H new ATOM 0 HD13 ILE A 4 6.018 9.049 6.026 1.00 72.52 H new ATOM 67 N LYS A 5 7.704 10.364 0.464 1.00 53.04 N ATOM 68 CA LYS A 5 8.715 11.163 -0.218 1.00 4.24 C ATOM 69 C LYS A 5 8.475 12.652 0.008 1.00 53.54 C ATOM 70 O LYS A 5 7.337 13.120 0.066 1.00 3.15 O ATOM 71 CB LYS A 5 8.713 10.856 -1.717 1.00 11.31 C ATOM 72 CG LYS A 5 8.510 9.385 -2.036 1.00 52.43 C ATOM 73 CD LYS A 5 9.745 8.566 -1.701 1.00 50.24 C ATOM 74 CE LYS A 5 10.246 7.793 -2.912 1.00 30.05 C ATOM 75 NZ LYS A 5 9.374 6.627 -3.225 1.00 52.40 N ATOM 0 H LYS A 5 6.744 10.661 0.289 1.00 53.04 H new ATOM 0 HA LYS A 5 9.689 10.903 0.198 1.00 4.24 H new ATOM 0 HB2 LYS A 5 7.924 11.435 -2.197 1.00 11.31 H new ATOM 0 HB3 LYS A 5 9.658 11.186 -2.148 1.00 11.31 H new ATOM 0 HG2 LYS A 5 7.657 9.004 -1.475 1.00 52.43 H new ATOM 0 HG3 LYS A 5 8.272 9.271 -3.094 1.00 52.43 H new ATOM 0 HD2 LYS A 5 10.533 9.226 -1.338 1.00 50.24 H new ATOM 0 HD3 LYS A 5 9.514 7.871 -0.894 1.00 50.24 H new ATOM 0 HE2 LYS A 5 10.288 8.457 -3.775 1.00 30.05 H new ATOM 0 HE3 LYS A 5 11.263 7.447 -2.727 1.00 30.05 H new ATOM 0 HZ1 LYS A 5 9.502 6.355 -4.221 1.00 52.40 H new ATOM 0 HZ2 LYS A 5 9.630 5.827 -2.612 1.00 52.40 H new ATOM 0 HZ3 LYS A 5 8.379 6.884 -3.062 1.00 52.40 H new ATOM 89 N PRO A 6 9.569 13.417 0.135 1.00 4.04 N ATOM 90 CA PRO A 6 9.502 14.865 0.354 1.00 45.01 C ATOM 91 C PRO A 6 9.003 15.614 -0.877 1.00 0.55 C ATOM 92 O PRO A 6 8.487 15.009 -1.816 1.00 22.05 O ATOM 93 CB PRO A 6 10.954 15.245 0.659 1.00 15.11 C ATOM 94 CG PRO A 6 11.769 14.190 -0.004 1.00 61.44 C ATOM 95 CD PRO A 6 10.957 12.927 0.076 1.00 73.22 C ATOM 0 HA PRO A 6 8.803 15.126 1.149 1.00 45.01 H new ATOM 0 HB2 PRO A 6 11.194 16.234 0.269 1.00 15.11 H new ATOM 0 HB3 PRO A 6 11.139 15.272 1.733 1.00 15.11 H new ATOM 0 HG2 PRO A 6 11.979 14.453 -1.041 1.00 61.44 H new ATOM 0 HG3 PRO A 6 12.730 14.068 0.495 1.00 61.44 H new ATOM 0 HD2 PRO A 6 11.121 12.288 -0.792 1.00 73.22 H new ATOM 0 HD3 PRO A 6 11.214 12.339 0.957 1.00 73.22 H new ATOM 103 N GLN A 7 9.160 16.934 -0.864 1.00 43.22 N ATOM 104 CA GLN A 7 8.725 17.765 -1.980 1.00 55.41 C ATOM 105 C GLN A 7 9.902 18.520 -2.589 1.00 73.01 C ATOM 106 O GLN A 7 9.754 19.213 -3.596 1.00 64.52 O ATOM 107 CB GLN A 7 7.653 18.755 -1.519 1.00 20.34 C ATOM 108 CG GLN A 7 7.049 19.569 -2.651 1.00 11.40 C ATOM 109 CD GLN A 7 5.535 19.616 -2.593 1.00 52.11 C ATOM 110 OE1 GLN A 7 4.856 19.372 -3.591 1.00 40.01 O ATOM 111 NE2 GLN A 7 4.996 19.930 -1.421 1.00 3.53 N ATOM 0 H GLN A 7 9.585 17.450 -0.094 1.00 43.22 H new ATOM 0 HA GLN A 7 8.303 17.111 -2.743 1.00 55.41 H new ATOM 0 HB2 GLN A 7 6.858 18.207 -1.012 1.00 20.34 H new ATOM 0 HB3 GLN A 7 8.089 19.434 -0.787 1.00 20.34 H new ATOM 0 HG2 GLN A 7 7.442 20.585 -2.613 1.00 11.40 H new ATOM 0 HG3 GLN A 7 7.359 19.143 -3.605 1.00 11.40 H new ATOM 0 HE21 GLN A 7 5.596 20.125 -0.620 1.00 3.53 H new ATOM 0 HE22 GLN A 7 3.982 19.976 -1.322 1.00 3.53 H new ATOM 120 N VAL A 8 11.070 18.382 -1.971 1.00 65.42 N ATOM 121 CA VAL A 8 12.274 19.050 -2.453 1.00 34.33 C ATOM 122 C VAL A 8 13.527 18.282 -2.049 1.00 4.11 C ATOM 123 O VAL A 8 13.446 17.221 -1.431 1.00 32.40 O ATOM 124 CB VAL A 8 12.370 20.489 -1.913 1.00 43.25 C ATOM 125 CG1 VAL A 8 11.339 21.382 -2.587 1.00 3.13 C ATOM 126 CG2 VAL A 8 12.196 20.504 -0.402 1.00 55.54 C ATOM 0 H VAL A 8 11.209 17.814 -1.135 1.00 65.42 H new ATOM 0 HA VAL A 8 12.206 19.081 -3.540 1.00 34.33 H new ATOM 0 HB VAL A 8 13.361 20.880 -2.145 1.00 43.25 H new ATOM 0 HG11 VAL A 8 11.422 22.395 -2.193 1.00 3.13 H new ATOM 0 HG12 VAL A 8 11.517 21.395 -3.662 1.00 3.13 H new ATOM 0 HG13 VAL A 8 10.339 20.996 -2.389 1.00 3.13 H new ATOM 0 HG21 VAL A 8 12.267 21.529 -0.038 1.00 55.54 H new ATOM 0 HG22 VAL A 8 11.220 20.094 -0.144 1.00 55.54 H new ATOM 0 HG23 VAL A 8 12.977 19.900 0.060 1.00 55.54 H new ATOM 136 N SER A 9 14.687 18.827 -2.402 1.00 24.41 N ATOM 137 CA SER A 9 15.960 18.191 -2.079 1.00 53.42 C ATOM 138 C SER A 9 16.794 19.081 -1.162 1.00 73.20 C ATOM 139 O SER A 9 17.048 20.244 -1.470 1.00 53.41 O ATOM 140 CB SER A 9 16.740 17.885 -3.359 1.00 1.11 C ATOM 141 OG SER A 9 16.055 18.367 -4.502 1.00 33.21 O ATOM 0 H SER A 9 14.772 19.707 -2.911 1.00 24.41 H new ATOM 0 HA SER A 9 15.750 17.257 -1.558 1.00 53.42 H new ATOM 0 HB2 SER A 9 17.728 18.342 -3.304 1.00 1.11 H new ATOM 0 HB3 SER A 9 16.890 16.809 -3.448 1.00 1.11 H new ATOM 0 HG SER A 9 16.575 18.160 -5.306 1.00 33.21 H new ATOM 147 N GLY A 10 17.217 18.523 -0.032 1.00 23.22 N ATOM 148 CA GLY A 10 18.018 19.278 0.914 1.00 51.32 C ATOM 149 C GLY A 10 18.705 18.390 1.932 1.00 62.35 C ATOM 150 O GLY A 10 19.466 17.492 1.570 1.00 43.33 O ATOM 0 H GLY A 10 17.019 17.562 0.245 1.00 23.22 H new ATOM 0 HA2 GLY A 10 18.769 19.852 0.372 1.00 51.32 H new ATOM 0 HA3 GLY A 10 17.382 19.995 1.433 1.00 51.32 H new ATOM 154 N VAL A 11 18.438 18.640 3.209 1.00 3.05 N ATOM 155 CA VAL A 11 19.037 17.856 4.283 1.00 0.33 C ATOM 156 C VAL A 11 18.046 17.634 5.420 1.00 73.21 C ATOM 157 O VAL A 11 17.326 18.550 5.817 1.00 13.42 O ATOM 158 CB VAL A 11 20.298 18.542 4.843 1.00 75.00 C ATOM 159 CG1 VAL A 11 21.016 17.624 5.820 1.00 60.42 C ATOM 160 CG2 VAL A 11 21.224 18.959 3.711 1.00 51.13 C ATOM 0 H VAL A 11 17.811 19.379 3.526 1.00 3.05 H new ATOM 0 HA VAL A 11 19.316 16.893 3.854 1.00 0.33 H new ATOM 0 HB VAL A 11 19.994 19.439 5.382 1.00 75.00 H new ATOM 0 HG11 VAL A 11 21.904 18.125 6.205 1.00 60.42 H new ATOM 0 HG12 VAL A 11 20.349 17.380 6.647 1.00 60.42 H new ATOM 0 HG13 VAL A 11 21.310 16.707 5.309 1.00 60.42 H new ATOM 0 HG21 VAL A 11 22.109 19.442 4.124 1.00 51.13 H new ATOM 0 HG22 VAL A 11 21.523 18.078 3.142 1.00 51.13 H new ATOM 0 HG23 VAL A 11 20.704 19.656 3.054 1.00 51.13 H new ATOM 170 N ILE A 12 18.014 16.411 5.939 1.00 2.33 N ATOM 171 CA ILE A 12 17.112 16.069 7.032 1.00 61.02 C ATOM 172 C ILE A 12 17.322 16.992 8.228 1.00 72.34 C ATOM 173 O ILE A 12 18.455 17.310 8.588 1.00 11.35 O ATOM 174 CB ILE A 12 17.304 14.609 7.484 1.00 0.31 C ATOM 175 CG1 ILE A 12 17.135 13.658 6.298 1.00 53.35 C ATOM 176 CG2 ILE A 12 16.319 14.264 8.591 1.00 5.14 C ATOM 177 CD1 ILE A 12 15.729 13.634 5.739 1.00 63.15 C ATOM 0 H ILE A 12 18.602 15.641 5.620 1.00 2.33 H new ATOM 0 HA ILE A 12 16.097 16.193 6.654 1.00 61.02 H new ATOM 0 HB ILE A 12 18.315 14.495 7.875 1.00 0.31 H new ATOM 0 HG12 ILE A 12 17.827 13.949 5.508 1.00 53.35 H new ATOM 0 HG13 ILE A 12 17.411 12.650 6.608 1.00 53.35 H new ATOM 0 HG21 ILE A 12 16.467 13.229 8.900 1.00 5.14 H new ATOM 0 HG22 ILE A 12 16.483 14.924 9.443 1.00 5.14 H new ATOM 0 HG23 ILE A 12 15.300 14.391 8.224 1.00 5.14 H new ATOM 0 HD11 ILE A 12 15.682 12.939 4.901 1.00 63.15 H new ATOM 0 HD12 ILE A 12 15.034 13.314 6.515 1.00 63.15 H new ATOM 0 HD13 ILE A 12 15.456 14.633 5.398 1.00 63.15 H new ATOM 189 N VAL A 13 16.221 17.417 8.840 1.00 24.13 N ATOM 190 CA VAL A 13 16.284 18.301 9.998 1.00 21.10 C ATOM 191 C VAL A 13 15.819 17.586 11.261 1.00 23.45 C ATOM 192 O VAL A 13 16.370 17.792 12.342 1.00 13.41 O ATOM 193 CB VAL A 13 15.424 19.561 9.789 1.00 51.40 C ATOM 194 CG1 VAL A 13 15.802 20.639 10.793 1.00 5.14 C ATOM 195 CG2 VAL A 13 15.569 20.074 8.364 1.00 14.42 C ATOM 0 H VAL A 13 15.275 17.164 8.553 1.00 24.13 H new ATOM 0 HA VAL A 13 17.327 18.597 10.114 1.00 21.10 H new ATOM 0 HB VAL A 13 14.379 19.297 9.952 1.00 51.40 H new ATOM 0 HG11 VAL A 13 15.184 21.522 10.629 1.00 5.14 H new ATOM 0 HG12 VAL A 13 15.642 20.266 11.805 1.00 5.14 H new ATOM 0 HG13 VAL A 13 16.852 20.903 10.665 1.00 5.14 H new ATOM 0 HG21 VAL A 13 14.955 20.965 8.234 1.00 14.42 H new ATOM 0 HG22 VAL A 13 16.613 20.322 8.171 1.00 14.42 H new ATOM 0 HG23 VAL A 13 15.244 19.303 7.665 1.00 14.42 H new ATOM 205 N ASN A 14 14.802 16.742 11.117 1.00 2.33 N ATOM 206 CA ASN A 14 14.263 15.995 12.248 1.00 55.34 C ATOM 207 C ASN A 14 13.297 14.913 11.773 1.00 24.04 C ATOM 208 O ASN A 14 12.991 14.815 10.585 1.00 45.42 O ATOM 209 CB ASN A 14 13.550 16.941 13.217 1.00 70.41 C ATOM 210 CG ASN A 14 13.625 16.460 14.653 1.00 0.13 C ATOM 211 OD1 ASN A 14 14.598 15.822 15.056 1.00 0.42 O ATOM 212 ND2 ASN A 14 12.594 16.765 15.434 1.00 65.45 N ATOM 0 H ASN A 14 14.335 16.558 10.229 1.00 2.33 H new ATOM 0 HA ASN A 14 15.094 15.515 12.765 1.00 55.34 H new ATOM 0 HB2 ASN A 14 13.995 17.934 13.145 1.00 70.41 H new ATOM 0 HB3 ASN A 14 12.505 17.038 12.923 1.00 70.41 H new ATOM 0 HD21 ASN A 14 12.588 16.468 16.410 1.00 65.45 H new ATOM 0 HD22 ASN A 14 11.809 17.296 15.058 1.00 65.45 H new ATOM 219 N LYS A 15 12.820 14.102 12.711 1.00 21.41 N ATOM 220 CA LYS A 15 11.888 13.027 12.392 1.00 71.15 C ATOM 221 C LYS A 15 10.880 12.827 13.519 1.00 3.41 C ATOM 222 O LYS A 15 11.229 12.351 14.600 1.00 1.22 O ATOM 223 CB LYS A 15 12.648 11.724 12.136 1.00 23.42 C ATOM 224 CG LYS A 15 13.571 11.325 13.275 1.00 71.41 C ATOM 225 CD LYS A 15 14.746 10.500 12.777 1.00 4.24 C ATOM 226 CE LYS A 15 14.343 9.058 12.510 1.00 15.33 C ATOM 227 NZ LYS A 15 15.430 8.103 12.862 1.00 13.54 N ATOM 0 H LYS A 15 13.064 14.169 13.699 1.00 21.41 H new ATOM 0 HA LYS A 15 11.345 13.307 11.489 1.00 71.15 H new ATOM 0 HB2 LYS A 15 11.930 10.922 11.963 1.00 23.42 H new ATOM 0 HB3 LYS A 15 13.235 11.829 11.223 1.00 23.42 H new ATOM 0 HG2 LYS A 15 13.940 12.220 13.776 1.00 71.41 H new ATOM 0 HG3 LYS A 15 13.011 10.753 14.015 1.00 71.41 H new ATOM 0 HD2 LYS A 15 15.141 10.943 11.863 1.00 4.24 H new ATOM 0 HD3 LYS A 15 15.547 10.524 13.515 1.00 4.24 H new ATOM 0 HE2 LYS A 15 13.449 8.818 13.086 1.00 15.33 H new ATOM 0 HE3 LYS A 15 14.085 8.942 11.457 1.00 15.33 H new ATOM 0 HZ1 LYS A 15 15.116 7.131 12.665 1.00 13.54 H new ATOM 0 HZ2 LYS A 15 16.275 8.315 12.295 1.00 13.54 H new ATOM 0 HZ3 LYS A 15 15.659 8.195 13.872 1.00 13.54 H new ATOM 241 N LEU A 16 9.630 13.193 13.260 1.00 34.31 N ATOM 242 CA LEU A 16 8.570 13.052 14.253 1.00 3.22 C ATOM 243 C LEU A 16 7.727 11.811 13.978 1.00 1.21 C ATOM 244 O LEU A 16 6.508 11.897 13.830 1.00 32.41 O ATOM 245 CB LEU A 16 7.680 14.297 14.258 1.00 25.50 C ATOM 246 CG LEU A 16 8.356 15.606 13.851 1.00 2.42 C ATOM 247 CD1 LEU A 16 7.365 16.758 13.906 1.00 14.24 C ATOM 248 CD2 LEU A 16 9.555 15.889 14.746 1.00 74.43 C ATOM 0 H LEU A 16 9.325 13.590 12.371 1.00 34.31 H new ATOM 0 HA LEU A 16 9.036 12.942 15.232 1.00 3.22 H new ATOM 0 HB2 LEU A 16 6.840 14.121 13.586 1.00 25.50 H new ATOM 0 HB3 LEU A 16 7.267 14.420 15.259 1.00 25.50 H new ATOM 0 HG LEU A 16 8.709 15.506 12.825 1.00 2.42 H new ATOM 0 HD11 LEU A 16 7.864 17.682 13.613 1.00 14.24 H new ATOM 0 HD12 LEU A 16 6.539 16.560 13.223 1.00 14.24 H new ATOM 0 HD13 LEU A 16 6.981 16.859 14.921 1.00 14.24 H new ATOM 0 HD21 LEU A 16 10.024 16.825 14.441 1.00 74.43 H new ATOM 0 HD22 LEU A 16 9.225 15.969 15.782 1.00 74.43 H new ATOM 0 HD23 LEU A 16 10.276 15.076 14.656 1.00 74.43 H new ATOM 260 N PHE A 17 8.384 10.658 13.913 1.00 4.10 N ATOM 261 CA PHE A 17 7.695 9.399 13.657 1.00 23.32 C ATOM 262 C PHE A 17 8.361 8.252 14.412 1.00 34.41 C ATOM 263 O PHE A 17 9.425 8.419 15.008 1.00 13.51 O ATOM 264 CB PHE A 17 7.681 9.096 12.157 1.00 14.43 C ATOM 265 CG PHE A 17 8.849 8.270 11.701 1.00 74.21 C ATOM 266 CD1 PHE A 17 10.118 8.820 11.631 1.00 63.13 C ATOM 267 CD2 PHE A 17 8.677 6.943 11.342 1.00 73.34 C ATOM 268 CE1 PHE A 17 11.195 8.062 11.212 1.00 65.25 C ATOM 269 CE2 PHE A 17 9.750 6.180 10.922 1.00 20.31 C ATOM 270 CZ PHE A 17 11.011 6.740 10.856 1.00 53.22 C ATOM 0 H PHE A 17 9.393 10.570 14.034 1.00 4.10 H new ATOM 0 HA PHE A 17 6.669 9.497 14.010 1.00 23.32 H new ATOM 0 HB2 PHE A 17 6.757 8.573 11.909 1.00 14.43 H new ATOM 0 HB3 PHE A 17 7.673 10.036 11.605 1.00 14.43 H new ATOM 0 HD1 PHE A 17 10.268 9.853 11.907 1.00 63.13 H new ATOM 0 HD2 PHE A 17 7.693 6.500 11.391 1.00 73.34 H new ATOM 0 HE1 PHE A 17 12.180 8.503 11.163 1.00 65.25 H new ATOM 0 HE2 PHE A 17 9.603 5.146 10.646 1.00 20.31 H new ATOM 0 HZ PHE A 17 11.851 6.146 10.527 1.00 53.22 H new ATOM 280 N LYS A 18 7.725 7.085 14.383 1.00 64.12 N ATOM 281 CA LYS A 18 8.254 5.908 15.063 1.00 53.33 C ATOM 282 C LYS A 18 8.318 4.715 14.114 1.00 4.25 C ATOM 283 O LYS A 18 7.626 4.680 13.098 1.00 53.20 O ATOM 284 CB LYS A 18 7.387 5.563 16.276 1.00 60.33 C ATOM 285 CG LYS A 18 7.642 6.454 17.479 1.00 55.21 C ATOM 286 CD LYS A 18 8.899 6.039 18.224 1.00 12.24 C ATOM 287 CE LYS A 18 9.130 6.906 19.453 1.00 44.15 C ATOM 288 NZ LYS A 18 9.756 6.138 20.564 1.00 65.32 N ATOM 0 H LYS A 18 6.843 6.929 13.896 1.00 64.12 H new ATOM 0 HA LYS A 18 9.265 6.136 15.400 1.00 53.33 H new ATOM 0 HB2 LYS A 18 6.337 5.639 15.995 1.00 60.33 H new ATOM 0 HB3 LYS A 18 7.568 4.526 16.558 1.00 60.33 H new ATOM 0 HG2 LYS A 18 7.737 7.490 17.152 1.00 55.21 H new ATOM 0 HG3 LYS A 18 6.787 6.410 18.153 1.00 55.21 H new ATOM 0 HD2 LYS A 18 8.817 4.994 18.524 1.00 12.24 H new ATOM 0 HD3 LYS A 18 9.759 6.113 17.558 1.00 12.24 H new ATOM 0 HE2 LYS A 18 9.769 7.748 19.188 1.00 44.15 H new ATOM 0 HE3 LYS A 18 8.180 7.321 19.789 1.00 44.15 H new ATOM 0 HZ1 LYS A 18 9.897 6.764 21.383 1.00 65.32 H new ATOM 0 HZ2 LYS A 18 9.134 5.349 20.834 1.00 65.32 H new ATOM 0 HZ3 LYS A 18 10.675 5.763 20.253 1.00 65.32 H new ATOM 302 N ALA A 19 9.154 3.739 14.455 1.00 54.11 N ATOM 303 CA ALA A 19 9.305 2.543 13.636 1.00 44.24 C ATOM 304 C ALA A 19 8.285 1.478 14.024 1.00 2.50 C ATOM 305 O ALA A 19 8.388 0.864 15.085 1.00 52.11 O ATOM 306 CB ALA A 19 10.719 1.993 13.761 1.00 14.41 C ATOM 0 H ALA A 19 9.736 3.754 15.292 1.00 54.11 H new ATOM 0 HA ALA A 19 9.124 2.819 12.597 1.00 44.24 H new ATOM 0 HB1 ALA A 19 10.818 1.100 13.144 1.00 14.41 H new ATOM 0 HB2 ALA A 19 11.433 2.746 13.427 1.00 14.41 H new ATOM 0 HB3 ALA A 19 10.920 1.739 14.802 1.00 14.41 H new ATOM 312 N GLY A 20 7.299 1.266 13.157 1.00 25.53 N ATOM 313 CA GLY A 20 6.274 0.275 13.429 1.00 62.04 C ATOM 314 C GLY A 20 4.996 0.894 13.960 1.00 64.31 C ATOM 315 O GLY A 20 4.100 0.186 14.419 1.00 22.34 O ATOM 0 H GLY A 20 7.192 1.762 12.272 1.00 25.53 H new ATOM 0 HA2 GLY A 20 6.054 -0.277 12.515 1.00 62.04 H new ATOM 0 HA3 GLY A 20 6.653 -0.446 14.153 1.00 62.04 H new ATOM 319 N ASP A 21 4.913 2.218 13.899 1.00 55.11 N ATOM 320 CA ASP A 21 3.735 2.932 14.378 1.00 1.54 C ATOM 321 C ASP A 21 2.806 3.288 13.221 1.00 25.24 C ATOM 322 O ASP A 21 3.099 2.992 12.063 1.00 60.24 O ATOM 323 CB ASP A 21 4.151 4.202 15.123 1.00 32.03 C ATOM 324 CG ASP A 21 3.487 4.320 16.481 1.00 54.30 C ATOM 325 OD1 ASP A 21 3.988 3.701 17.442 1.00 3.54 O ATOM 326 OD2 ASP A 21 2.464 5.031 16.582 1.00 44.01 O ATOM 0 H ASP A 21 5.647 2.819 13.523 1.00 55.11 H new ATOM 0 HA ASP A 21 3.197 2.277 15.063 1.00 1.54 H new ATOM 0 HB2 ASP A 21 5.234 4.208 15.249 1.00 32.03 H new ATOM 0 HB3 ASP A 21 3.896 5.074 14.520 1.00 32.03 H new ATOM 331 N LYS A 22 1.685 3.923 13.543 1.00 11.34 N ATOM 332 CA LYS A 22 0.712 4.320 12.532 1.00 22.21 C ATOM 333 C LYS A 22 0.895 5.784 12.146 1.00 51.11 C ATOM 334 O LYS A 22 1.538 6.550 12.864 1.00 52.23 O ATOM 335 CB LYS A 22 -0.711 4.091 13.046 1.00 22.42 C ATOM 336 CG LYS A 22 -1.202 2.665 12.861 1.00 53.40 C ATOM 337 CD LYS A 22 -2.720 2.599 12.830 1.00 31.41 C ATOM 338 CE LYS A 22 -3.284 2.124 14.160 1.00 32.34 C ATOM 339 NZ LYS A 22 -3.440 3.244 15.128 1.00 13.44 N ATOM 0 H LYS A 22 1.427 4.174 14.497 1.00 11.34 H new ATOM 0 HA LYS A 22 0.875 3.706 11.646 1.00 22.21 H new ATOM 0 HB2 LYS A 22 -0.751 4.346 14.105 1.00 22.42 H new ATOM 0 HB3 LYS A 22 -1.389 4.770 12.529 1.00 22.42 H new ATOM 0 HG2 LYS A 22 -0.800 2.258 11.933 1.00 53.40 H new ATOM 0 HG3 LYS A 22 -0.826 2.041 13.672 1.00 53.40 H new ATOM 0 HD2 LYS A 22 -3.123 3.584 12.593 1.00 31.41 H new ATOM 0 HD3 LYS A 22 -3.040 1.924 12.036 1.00 31.41 H new ATOM 0 HE2 LYS A 22 -4.251 1.649 13.995 1.00 32.34 H new ATOM 0 HE3 LYS A 22 -2.625 1.367 14.584 1.00 32.34 H new ATOM 0 HZ1 LYS A 22 -3.827 2.879 16.022 1.00 13.44 H new ATOM 0 HZ2 LYS A 22 -2.513 3.682 15.305 1.00 13.44 H new ATOM 0 HZ3 LYS A 22 -4.089 3.955 14.735 1.00 13.44 H new ATOM 353 N VAL A 23 0.324 6.167 11.008 1.00 1.12 N ATOM 354 CA VAL A 23 0.422 7.540 10.528 1.00 11.32 C ATOM 355 C VAL A 23 -0.960 8.151 10.324 1.00 70.22 C ATOM 356 O VAL A 23 -1.978 7.478 10.483 1.00 34.53 O ATOM 357 CB VAL A 23 1.206 7.618 9.205 1.00 61.22 C ATOM 358 CG1 VAL A 23 2.668 7.264 9.429 1.00 64.31 C ATOM 359 CG2 VAL A 23 0.582 6.704 8.162 1.00 75.35 C ATOM 0 H VAL A 23 -0.211 5.545 10.402 1.00 1.12 H new ATOM 0 HA VAL A 23 0.957 8.105 11.292 1.00 11.32 H new ATOM 0 HB VAL A 23 1.158 8.642 8.834 1.00 61.22 H new ATOM 0 HG11 VAL A 23 3.206 7.325 8.483 1.00 64.31 H new ATOM 0 HG12 VAL A 23 3.107 7.963 10.141 1.00 64.31 H new ATOM 0 HG13 VAL A 23 2.741 6.250 9.823 1.00 64.31 H new ATOM 0 HG21 VAL A 23 1.149 6.772 7.233 1.00 75.35 H new ATOM 0 HG22 VAL A 23 0.598 5.676 8.523 1.00 75.35 H new ATOM 0 HG23 VAL A 23 -0.449 7.009 7.981 1.00 75.35 H new ATOM 369 N LYS A 24 -0.989 9.431 9.969 1.00 24.11 N ATOM 370 CA LYS A 24 -2.245 10.134 9.740 1.00 13.13 C ATOM 371 C LYS A 24 -2.147 11.039 8.517 1.00 53.34 C ATOM 372 O LYS A 24 -1.089 11.599 8.228 1.00 32.22 O ATOM 373 CB LYS A 24 -2.622 10.962 10.971 1.00 22.33 C ATOM 374 CG LYS A 24 -3.577 12.103 10.668 1.00 32.10 C ATOM 375 CD LYS A 24 -4.962 11.590 10.309 1.00 0.34 C ATOM 376 CE LYS A 24 -5.667 12.523 9.337 1.00 51.41 C ATOM 377 NZ LYS A 24 -6.041 13.814 9.979 1.00 75.20 N ATOM 0 H LYS A 24 -0.155 10.003 9.834 1.00 24.11 H new ATOM 0 HA LYS A 24 -3.021 9.390 9.558 1.00 13.13 H new ATOM 0 HB2 LYS A 24 -3.077 10.307 11.714 1.00 22.33 H new ATOM 0 HB3 LYS A 24 -1.714 11.368 11.417 1.00 22.33 H new ATOM 0 HG2 LYS A 24 -3.645 12.762 11.534 1.00 32.10 H new ATOM 0 HG3 LYS A 24 -3.184 12.699 9.844 1.00 32.10 H new ATOM 0 HD2 LYS A 24 -4.880 10.597 9.867 1.00 0.34 H new ATOM 0 HD3 LYS A 24 -5.559 11.488 11.215 1.00 0.34 H new ATOM 0 HE2 LYS A 24 -5.017 12.717 8.484 1.00 51.41 H new ATOM 0 HE3 LYS A 24 -6.563 12.036 8.951 1.00 51.41 H new ATOM 0 HZ1 LYS A 24 -6.519 14.422 9.284 1.00 75.20 H new ATOM 0 HZ2 LYS A 24 -6.681 13.632 10.778 1.00 75.20 H new ATOM 0 HZ3 LYS A 24 -5.184 14.291 10.324 1.00 75.20 H new ATOM 391 N LYS A 25 -3.258 11.180 7.800 1.00 5.43 N ATOM 392 CA LYS A 25 -3.298 12.020 6.609 1.00 75.01 C ATOM 393 C LYS A 25 -2.889 13.452 6.938 1.00 12.11 C ATOM 394 O LYS A 25 -3.702 14.248 7.407 1.00 24.25 O ATOM 395 CB LYS A 25 -4.702 12.007 5.999 1.00 62.24 C ATOM 396 CG LYS A 25 -4.712 12.211 4.494 1.00 74.55 C ATOM 397 CD LYS A 25 -6.072 12.682 4.004 1.00 24.12 C ATOM 398 CE LYS A 25 -6.904 11.525 3.473 1.00 53.44 C ATOM 399 NZ LYS A 25 -8.259 11.487 4.091 1.00 43.14 N ATOM 0 H LYS A 25 -4.142 10.723 8.024 1.00 5.43 H new ATOM 0 HA LYS A 25 -2.589 11.616 5.886 1.00 75.01 H new ATOM 0 HB2 LYS A 25 -5.182 11.056 6.232 1.00 62.24 H new ATOM 0 HB3 LYS A 25 -5.300 12.789 6.467 1.00 62.24 H new ATOM 0 HG2 LYS A 25 -3.952 12.943 4.220 1.00 74.55 H new ATOM 0 HG3 LYS A 25 -4.449 11.277 3.998 1.00 74.55 H new ATOM 0 HD2 LYS A 25 -6.605 13.170 4.820 1.00 24.12 H new ATOM 0 HD3 LYS A 25 -5.939 13.427 3.219 1.00 24.12 H new ATOM 0 HE2 LYS A 25 -7.001 11.614 2.391 1.00 53.44 H new ATOM 0 HE3 LYS A 25 -6.388 10.586 3.671 1.00 53.44 H new ATOM 0 HZ1 LYS A 25 -8.795 10.685 3.703 1.00 43.14 H new ATOM 0 HZ2 LYS A 25 -8.168 11.377 5.121 1.00 43.14 H new ATOM 0 HZ3 LYS A 25 -8.761 12.373 3.881 1.00 43.14 H new ATOM 413 N GLY A 26 -1.624 13.774 6.687 1.00 24.23 N ATOM 414 CA GLY A 26 -1.130 15.110 6.962 1.00 3.41 C ATOM 415 C GLY A 26 -0.348 15.185 8.259 1.00 73.41 C ATOM 416 O GLY A 26 -0.100 16.272 8.779 1.00 32.23 O ATOM 0 H GLY A 26 -0.932 13.133 6.298 1.00 24.23 H new ATOM 0 HA2 GLY A 26 -0.494 15.435 6.139 1.00 3.41 H new ATOM 0 HA3 GLY A 26 -1.971 15.802 7.008 1.00 3.41 H new ATOM 420 N GLN A 27 0.038 14.026 8.782 1.00 24.40 N ATOM 421 CA GLN A 27 0.794 13.964 10.028 1.00 50.54 C ATOM 422 C GLN A 27 2.293 14.058 9.760 1.00 14.35 C ATOM 423 O GLN A 27 2.839 13.307 8.951 1.00 14.34 O ATOM 424 CB GLN A 27 0.478 12.669 10.778 1.00 53.34 C ATOM 425 CG GLN A 27 0.208 12.875 12.259 1.00 22.35 C ATOM 426 CD GLN A 27 0.698 11.718 13.108 1.00 65.24 C ATOM 427 OE1 GLN A 27 0.418 10.498 12.664 1.00 33.10 O flip ATOM 428 NE2 GLN A 27 1.323 11.918 14.150 1.00 32.15 N flip ATOM 0 H GLN A 27 -0.160 13.117 8.363 1.00 24.40 H new ATOM 0 HA GLN A 27 0.499 14.813 10.645 1.00 50.54 H new ATOM 0 HB2 GLN A 27 -0.392 12.197 10.321 1.00 53.34 H new ATOM 0 HB3 GLN A 27 1.313 11.978 10.662 1.00 53.34 H new ATOM 0 HG2 GLN A 27 0.693 13.794 12.589 1.00 22.35 H new ATOM 0 HG3 GLN A 27 -0.863 13.007 12.414 1.00 22.35 H new ATOM 0 HE21 GLN A 27 1.516 12.872 14.454 1.00 32.15 H new ATOM 0 HE22 GLN A 27 1.648 11.129 14.709 1.00 32.15 H new ATOM 437 N THR A 28 2.954 14.986 10.445 1.00 0.15 N ATOM 438 CA THR A 28 4.389 15.179 10.281 1.00 2.52 C ATOM 439 C THR A 28 5.162 13.931 10.689 1.00 25.22 C ATOM 440 O THR A 28 4.849 13.295 11.697 1.00 54.14 O ATOM 441 CB THR A 28 4.893 16.376 11.110 1.00 24.45 C ATOM 442 OG1 THR A 28 3.879 17.383 11.184 1.00 52.42 O ATOM 443 CG2 THR A 28 6.156 16.964 10.499 1.00 22.23 C ATOM 0 H THR A 28 2.518 15.616 11.119 1.00 0.15 H new ATOM 0 HA THR A 28 4.562 15.380 9.224 1.00 2.52 H new ATOM 0 HB THR A 28 5.125 16.022 12.114 1.00 24.45 H new ATOM 0 HG1 THR A 28 4.207 18.139 11.714 1.00 52.42 H new ATOM 0 HG21 THR A 28 6.493 17.808 11.101 1.00 22.23 H new ATOM 0 HG22 THR A 28 6.936 16.203 10.472 1.00 22.23 H new ATOM 0 HG23 THR A 28 5.946 17.304 9.485 1.00 22.23 H new ATOM 451 N LEU A 29 6.175 13.584 9.902 1.00 11.21 N ATOM 452 CA LEU A 29 6.995 12.410 10.182 1.00 13.53 C ATOM 453 C LEU A 29 8.475 12.720 9.982 1.00 72.31 C ATOM 454 O LEU A 29 9.326 12.246 10.735 1.00 42.42 O ATOM 455 CB LEU A 29 6.579 11.246 9.281 1.00 14.52 C ATOM 456 CG LEU A 29 5.095 10.878 9.303 1.00 31.55 C ATOM 457 CD1 LEU A 29 4.724 10.083 8.061 1.00 53.21 C ATOM 458 CD2 LEU A 29 4.760 10.090 10.562 1.00 51.22 C ATOM 0 H LEU A 29 6.448 14.099 9.065 1.00 11.21 H new ATOM 0 HA LEU A 29 6.839 12.128 11.223 1.00 13.53 H new ATOM 0 HB2 LEU A 29 6.857 11.489 8.256 1.00 14.52 H new ATOM 0 HB3 LEU A 29 7.155 10.366 9.568 1.00 14.52 H new ATOM 0 HG LEU A 29 4.512 11.799 9.308 1.00 31.55 H new ATOM 0 HD11 LEU A 29 3.664 9.830 8.094 1.00 53.21 H new ATOM 0 HD12 LEU A 29 4.927 10.681 7.172 1.00 53.21 H new ATOM 0 HD13 LEU A 29 5.315 9.168 8.025 1.00 53.21 H new ATOM 0 HD21 LEU A 29 3.700 9.836 10.561 1.00 51.22 H new ATOM 0 HD22 LEU A 29 5.352 9.175 10.587 1.00 51.22 H new ATOM 0 HD23 LEU A 29 4.988 10.694 11.440 1.00 51.22 H new ATOM 470 N PHE A 30 8.774 13.519 8.963 1.00 24.31 N ATOM 471 CA PHE A 30 10.152 13.893 8.664 1.00 31.33 C ATOM 472 C PHE A 30 10.259 15.387 8.373 1.00 73.44 C ATOM 473 O PHE A 30 9.250 16.089 8.301 1.00 41.43 O ATOM 474 CB PHE A 30 10.673 13.090 7.470 1.00 21.05 C ATOM 475 CG PHE A 30 11.286 11.774 7.855 1.00 62.21 C ATOM 476 CD1 PHE A 30 10.502 10.638 7.975 1.00 61.14 C ATOM 477 CD2 PHE A 30 12.647 11.673 8.097 1.00 72.21 C ATOM 478 CE1 PHE A 30 11.063 9.425 8.328 1.00 62.02 C ATOM 479 CE2 PHE A 30 13.213 10.463 8.450 1.00 65.30 C ATOM 480 CZ PHE A 30 12.421 9.338 8.567 1.00 74.32 C ATOM 0 H PHE A 30 8.081 13.920 8.331 1.00 24.31 H new ATOM 0 HA PHE A 30 10.762 13.667 9.539 1.00 31.33 H new ATOM 0 HB2 PHE A 30 9.851 12.910 6.777 1.00 21.05 H new ATOM 0 HB3 PHE A 30 11.415 13.685 6.938 1.00 21.05 H new ATOM 0 HD1 PHE A 30 9.440 10.701 7.791 1.00 61.14 H new ATOM 0 HD2 PHE A 30 13.272 12.549 8.009 1.00 72.21 H new ATOM 0 HE1 PHE A 30 10.441 8.547 8.417 1.00 62.02 H new ATOM 0 HE2 PHE A 30 14.275 10.397 8.634 1.00 65.30 H new ATOM 0 HZ PHE A 30 12.862 8.392 8.845 1.00 74.32 H new ATOM 490 N ILE A 31 11.487 15.864 8.206 1.00 4.43 N ATOM 491 CA ILE A 31 11.726 17.274 7.922 1.00 24.12 C ATOM 492 C ILE A 31 13.005 17.462 7.113 1.00 41.40 C ATOM 493 O ILE A 31 14.018 16.813 7.374 1.00 60.42 O ATOM 494 CB ILE A 31 11.826 18.100 9.218 1.00 53.41 C ATOM 495 CG1 ILE A 31 10.562 17.921 10.061 1.00 31.34 C ATOM 496 CG2 ILE A 31 12.048 19.570 8.893 1.00 13.00 C ATOM 497 CD1 ILE A 31 10.552 18.758 11.321 1.00 52.51 C ATOM 0 H ILE A 31 12.332 15.296 8.262 1.00 4.43 H new ATOM 0 HA ILE A 31 10.875 17.628 7.340 1.00 24.12 H new ATOM 0 HB ILE A 31 12.679 17.742 9.795 1.00 53.41 H new ATOM 0 HG12 ILE A 31 9.692 18.179 9.456 1.00 31.34 H new ATOM 0 HG13 ILE A 31 10.462 16.870 10.332 1.00 31.34 H new ATOM 0 HG21 ILE A 31 12.117 20.141 9.819 1.00 13.00 H new ATOM 0 HG22 ILE A 31 12.973 19.682 8.328 1.00 13.00 H new ATOM 0 HG23 ILE A 31 11.213 19.941 8.299 1.00 13.00 H new ATOM 0 HD11 ILE A 31 9.626 18.580 11.869 1.00 52.51 H new ATOM 0 HD12 ILE A 31 11.402 18.484 11.946 1.00 52.51 H new ATOM 0 HD13 ILE A 31 10.621 19.813 11.057 1.00 52.51 H new ATOM 509 N ILE A 32 12.951 18.357 6.132 1.00 62.43 N ATOM 510 CA ILE A 32 14.106 18.633 5.286 1.00 21.14 C ATOM 511 C ILE A 32 14.233 20.125 4.999 1.00 54.11 C ATOM 512 O ILE A 32 13.259 20.780 4.630 1.00 15.44 O ATOM 513 CB ILE A 32 14.022 17.870 3.951 1.00 31.33 C ATOM 514 CG1 ILE A 32 14.354 16.391 4.162 1.00 14.03 C ATOM 515 CG2 ILE A 32 14.962 18.488 2.928 1.00 41.25 C ATOM 516 CD1 ILE A 32 13.463 15.454 3.377 1.00 33.12 C ATOM 0 H ILE A 32 12.120 18.903 5.904 1.00 62.43 H new ATOM 0 HA ILE A 32 14.986 18.294 5.833 1.00 21.14 H new ATOM 0 HB ILE A 32 13.003 17.944 3.571 1.00 31.33 H new ATOM 0 HG12 ILE A 32 15.392 16.216 3.878 1.00 14.03 H new ATOM 0 HG13 ILE A 32 14.270 16.156 5.223 1.00 14.03 H new ATOM 0 HG21 ILE A 32 14.891 17.938 1.990 1.00 41.25 H new ATOM 0 HG22 ILE A 32 14.684 19.529 2.760 1.00 41.25 H new ATOM 0 HG23 ILE A 32 15.986 18.441 3.300 1.00 41.25 H new ATOM 0 HD11 ILE A 32 13.755 14.423 3.575 1.00 33.12 H new ATOM 0 HD12 ILE A 32 12.426 15.601 3.678 1.00 33.12 H new ATOM 0 HD13 ILE A 32 13.565 15.662 2.312 1.00 33.12 H new ATOM 528 N GLU A 33 15.440 20.655 5.169 1.00 61.33 N ATOM 529 CA GLU A 33 15.694 22.070 4.926 1.00 14.02 C ATOM 530 C GLU A 33 16.288 22.286 3.537 1.00 0.25 C ATOM 531 O GLU A 33 17.198 21.569 3.123 1.00 43.10 O ATOM 532 CB GLU A 33 16.639 22.631 5.991 1.00 51.35 C ATOM 533 CG GLU A 33 17.287 23.948 5.596 1.00 33.10 C ATOM 534 CD GLU A 33 18.728 23.780 5.155 1.00 12.02 C ATOM 535 OE1 GLU A 33 19.107 22.649 4.786 1.00 34.40 O ATOM 536 OE2 GLU A 33 19.477 24.779 5.180 1.00 75.04 O ATOM 0 H GLU A 33 16.257 20.126 5.474 1.00 61.33 H new ATOM 0 HA GLU A 33 14.742 22.599 4.980 1.00 14.02 H new ATOM 0 HB2 GLU A 33 16.085 22.772 6.919 1.00 51.35 H new ATOM 0 HB3 GLU A 33 17.420 21.898 6.195 1.00 51.35 H new ATOM 0 HG2 GLU A 33 16.714 24.402 4.788 1.00 33.10 H new ATOM 0 HG3 GLU A 33 17.247 24.636 6.441 1.00 33.10 H new ATOM 543 N GLN A 34 15.766 23.279 2.825 1.00 74.24 N ATOM 544 CA GLN A 34 16.243 23.588 1.482 1.00 5.42 C ATOM 545 C GLN A 34 16.142 25.084 1.200 1.00 63.21 C ATOM 546 O GLN A 34 15.492 25.823 1.940 1.00 61.54 O ATOM 547 CB GLN A 34 15.443 22.805 0.440 1.00 44.31 C ATOM 548 CG GLN A 34 14.002 23.270 0.304 1.00 23.33 C ATOM 549 CD GLN A 34 13.189 23.023 1.560 1.00 41.13 C ATOM 550 OE1 GLN A 34 12.485 23.911 2.042 1.00 44.12 O ATOM 551 NE2 GLN A 34 13.281 21.812 2.097 1.00 43.23 N ATOM 0 H GLN A 34 15.013 23.883 3.155 1.00 74.24 H new ATOM 0 HA GLN A 34 17.291 23.295 1.419 1.00 5.42 H new ATOM 0 HB2 GLN A 34 15.937 22.894 -0.527 1.00 44.31 H new ATOM 0 HB3 GLN A 34 15.451 21.748 0.707 1.00 44.31 H new ATOM 0 HG2 GLN A 34 13.988 24.335 0.070 1.00 23.33 H new ATOM 0 HG3 GLN A 34 13.535 22.753 -0.534 1.00 23.33 H new ATOM 0 HE21 GLN A 34 13.877 21.106 1.664 1.00 43.23 H new ATOM 0 HE22 GLN A 34 12.756 21.588 2.942 1.00 43.23 H new ATOM 560 N ASP A 35 16.790 25.523 0.126 1.00 15.02 N ATOM 561 CA ASP A 35 16.772 26.931 -0.255 1.00 30.44 C ATOM 562 C ASP A 35 15.624 27.219 -1.216 1.00 55.23 C ATOM 563 O ASP A 35 15.808 27.884 -2.235 1.00 53.41 O ATOM 564 CB ASP A 35 18.103 27.324 -0.897 1.00 70.23 C ATOM 565 CG ASP A 35 19.151 27.707 0.129 1.00 32.21 C ATOM 566 OD1 ASP A 35 18.911 28.665 0.894 1.00 75.22 O ATOM 567 OD2 ASP A 35 20.211 27.048 0.168 1.00 12.24 O ATOM 0 H ASP A 35 17.334 24.925 -0.496 1.00 15.02 H new ATOM 0 HA ASP A 35 16.624 27.525 0.647 1.00 30.44 H new ATOM 0 HB2 ASP A 35 18.473 26.492 -1.497 1.00 70.23 H new ATOM 0 HB3 ASP A 35 17.942 28.161 -1.577 1.00 70.23 H new ATOM 572 N GLN A 36 14.440 26.713 -0.885 1.00 51.14 N ATOM 573 CA GLN A 36 13.262 26.915 -1.721 1.00 45.53 C ATOM 574 C GLN A 36 12.010 26.380 -1.036 1.00 72.40 C ATOM 575 O GLN A 36 11.695 25.194 -1.135 1.00 43.01 O ATOM 576 CB GLN A 36 13.449 26.231 -3.076 1.00 63.14 C ATOM 577 CG GLN A 36 14.086 24.854 -2.980 1.00 21.13 C ATOM 578 CD GLN A 36 15.575 24.878 -3.263 1.00 2.42 C ATOM 579 OE1 GLN A 36 16.098 25.848 -3.813 1.00 24.04 O ATOM 580 NE2 GLN A 36 16.267 23.809 -2.888 1.00 20.14 N ATOM 0 H GLN A 36 14.271 26.161 -0.044 1.00 51.14 H new ATOM 0 HA GLN A 36 13.138 27.987 -1.877 1.00 45.53 H new ATOM 0 HB2 GLN A 36 12.479 26.140 -3.565 1.00 63.14 H new ATOM 0 HB3 GLN A 36 14.068 26.865 -3.711 1.00 63.14 H new ATOM 0 HG2 GLN A 36 13.916 24.448 -1.983 1.00 21.13 H new ATOM 0 HG3 GLN A 36 13.597 24.182 -3.685 1.00 21.13 H new ATOM 0 HE21 GLN A 36 15.793 23.028 -2.435 1.00 20.14 H new ATOM 0 HE22 GLN A 36 17.273 23.769 -3.053 1.00 20.14 H new ATOM 589 N ALA A 37 11.299 27.261 -0.341 1.00 13.23 N ATOM 590 CA ALA A 37 10.079 26.877 0.360 1.00 65.04 C ATOM 591 C ALA A 37 8.841 27.273 -0.437 1.00 32.02 C ATOM 592 O ALA A 37 7.825 27.670 0.134 1.00 41.32 O ATOM 593 CB ALA A 37 10.044 27.509 1.743 1.00 1.12 C ATOM 0 H ALA A 37 11.546 28.246 -0.248 1.00 13.23 H new ATOM 0 HA ALA A 37 10.077 25.792 0.469 1.00 65.04 H new ATOM 0 HB1 ALA A 37 9.128 27.214 2.255 1.00 1.12 H new ATOM 0 HB2 ALA A 37 10.906 27.172 2.319 1.00 1.12 H new ATOM 0 HB3 ALA A 37 10.073 28.594 1.648 1.00 1.12 H new ATOM 599 N SER A 38 8.932 27.163 -1.758 1.00 63.43 N ATOM 600 CA SER A 38 7.820 27.514 -2.633 1.00 61.35 C ATOM 601 C SER A 38 7.551 29.015 -2.594 1.00 61.05 C ATOM 602 O SER A 38 8.031 29.721 -1.707 1.00 54.12 O ATOM 603 CB SER A 38 6.560 26.748 -2.225 1.00 24.42 C ATOM 604 OG SER A 38 6.891 25.515 -1.608 1.00 54.22 O ATOM 0 H SER A 38 9.765 26.833 -2.246 1.00 63.43 H new ATOM 0 HA SER A 38 8.091 27.237 -3.652 1.00 61.35 H new ATOM 0 HB2 SER A 38 5.968 27.354 -1.539 1.00 24.42 H new ATOM 0 HB3 SER A 38 5.942 26.564 -3.104 1.00 24.42 H new ATOM 0 HG SER A 38 6.080 24.975 -1.500 1.00 54.22 H new ATOM 610 N LYS A 39 6.780 29.497 -3.564 1.00 22.24 N ATOM 611 CA LYS A 39 6.445 30.914 -3.642 1.00 34.51 C ATOM 612 C LYS A 39 5.014 31.161 -3.173 1.00 23.42 C ATOM 613 O LYS A 39 4.519 32.287 -3.226 1.00 24.42 O ATOM 614 CB LYS A 39 6.617 31.421 -5.075 1.00 43.22 C ATOM 615 CG LYS A 39 8.039 31.844 -5.403 1.00 53.35 C ATOM 616 CD LYS A 39 9.042 30.768 -5.026 1.00 62.41 C ATOM 617 CE LYS A 39 10.470 31.215 -5.301 1.00 13.21 C ATOM 618 NZ LYS A 39 10.954 30.742 -6.627 1.00 72.22 N ATOM 0 H LYS A 39 6.376 28.927 -4.307 1.00 22.24 H new ATOM 0 HA LYS A 39 7.124 31.459 -2.986 1.00 34.51 H new ATOM 0 HB2 LYS A 39 6.311 30.638 -5.768 1.00 43.22 H new ATOM 0 HB3 LYS A 39 5.949 32.267 -5.235 1.00 43.22 H new ATOM 0 HG2 LYS A 39 8.119 32.060 -6.468 1.00 53.35 H new ATOM 0 HG3 LYS A 39 8.277 32.766 -4.873 1.00 53.35 H new ATOM 0 HD2 LYS A 39 8.934 30.522 -3.970 1.00 62.41 H new ATOM 0 HD3 LYS A 39 8.830 29.858 -5.588 1.00 62.41 H new ATOM 0 HE2 LYS A 39 10.524 32.303 -5.262 1.00 13.21 H new ATOM 0 HE3 LYS A 39 11.126 30.835 -4.518 1.00 13.21 H new ATOM 0 HZ1 LYS A 39 11.930 31.067 -6.776 1.00 72.22 H new ATOM 0 HZ2 LYS A 39 10.927 29.703 -6.656 1.00 72.22 H new ATOM 0 HZ3 LYS A 39 10.343 31.125 -7.376 1.00 72.22 H new ATOM 632 N ASP A 40 4.356 30.102 -2.713 1.00 4.11 N ATOM 633 CA ASP A 40 2.984 30.205 -2.232 1.00 34.03 C ATOM 634 C ASP A 40 2.638 29.032 -1.320 1.00 71.43 C ATOM 635 O ASP A 40 1.533 28.491 -1.378 1.00 41.33 O ATOM 636 CB ASP A 40 2.010 30.255 -3.410 1.00 50.52 C ATOM 637 CG ASP A 40 0.664 30.836 -3.024 1.00 75.34 C ATOM 638 OD1 ASP A 40 0.442 31.069 -1.818 1.00 4.21 O ATOM 639 OD2 ASP A 40 -0.169 31.055 -3.929 1.00 14.41 O ATOM 0 H ASP A 40 4.751 29.163 -2.663 1.00 4.11 H new ATOM 0 HA ASP A 40 2.895 31.127 -1.658 1.00 34.03 H new ATOM 0 HB2 ASP A 40 2.444 30.853 -4.211 1.00 50.52 H new ATOM 0 HB3 ASP A 40 1.869 29.248 -3.804 1.00 50.52 H new ATOM 644 N PHE A 41 3.590 28.641 -0.480 1.00 3.44 N ATOM 645 CA PHE A 41 3.387 27.530 0.443 1.00 45.40 C ATOM 646 C PHE A 41 3.858 27.897 1.847 1.00 22.14 C ATOM 647 O PHE A 41 3.060 27.977 2.780 1.00 72.51 O ATOM 648 CB PHE A 41 4.133 26.288 -0.049 1.00 44.42 C ATOM 649 CG PHE A 41 3.427 25.001 0.265 1.00 33.14 C ATOM 650 CD1 PHE A 41 2.194 24.716 -0.300 1.00 64.41 C ATOM 651 CD2 PHE A 41 3.995 24.076 1.126 1.00 20.31 C ATOM 652 CE1 PHE A 41 1.542 23.532 -0.012 1.00 32.05 C ATOM 653 CE2 PHE A 41 3.347 22.890 1.418 1.00 3.00 C ATOM 654 CZ PHE A 41 2.119 22.618 0.848 1.00 64.55 C ATOM 0 H PHE A 41 4.510 29.077 -0.419 1.00 3.44 H new ATOM 0 HA PHE A 41 2.320 27.313 0.482 1.00 45.40 H new ATOM 0 HB2 PHE A 41 4.274 26.362 -1.127 1.00 44.42 H new ATOM 0 HB3 PHE A 41 5.125 26.268 0.401 1.00 44.42 H new ATOM 0 HD1 PHE A 41 1.738 25.427 -0.973 1.00 64.41 H new ATOM 0 HD2 PHE A 41 4.955 24.284 1.574 1.00 20.31 H new ATOM 0 HE1 PHE A 41 0.582 23.321 -0.459 1.00 32.05 H new ATOM 0 HE2 PHE A 41 3.801 22.177 2.091 1.00 3.00 H new ATOM 0 HZ PHE A 41 1.611 21.692 1.074 1.00 64.55 H new ATOM 664 N ASN A 42 5.161 28.118 1.989 1.00 10.34 N ATOM 665 CA ASN A 42 5.739 28.475 3.280 1.00 44.22 C ATOM 666 C ASN A 42 5.199 29.817 3.766 1.00 71.41 C ATOM 667 O ASN A 42 5.005 30.742 2.977 1.00 24.12 O ATOM 668 CB ASN A 42 7.265 28.533 3.180 1.00 40.54 C ATOM 669 CG ASN A 42 7.756 29.837 2.579 1.00 73.42 C ATOM 670 OD1 ASN A 42 7.760 30.008 1.360 1.00 43.12 O ATOM 671 ND2 ASN A 42 8.172 30.763 3.435 1.00 70.33 N ATOM 0 H ASN A 42 5.836 28.056 1.227 1.00 10.34 H new ATOM 0 HA ASN A 42 5.457 27.708 4.001 1.00 44.22 H new ATOM 0 HB2 ASN A 42 7.696 28.409 4.173 1.00 40.54 H new ATOM 0 HB3 ASN A 42 7.619 27.700 2.572 1.00 40.54 H new ATOM 0 HD22 ASN A 42 8.151 30.577 4.438 1.00 70.33 H new ATOM 677 N ARG A 43 4.958 29.914 5.069 1.00 30.02 N ATOM 678 CA ARG A 43 4.439 31.142 5.661 1.00 64.54 C ATOM 679 C ARG A 43 5.547 31.910 6.376 1.00 54.54 C ATOM 680 O ARG A 43 5.310 32.980 6.938 1.00 21.41 O ATOM 681 CB ARG A 43 3.310 30.823 6.642 1.00 71.52 C ATOM 682 CG ARG A 43 3.773 30.700 8.084 1.00 13.34 C ATOM 683 CD ARG A 43 2.617 30.365 9.014 1.00 54.32 C ATOM 684 NE ARG A 43 2.825 29.100 9.712 1.00 31.24 N ATOM 685 CZ ARG A 43 1.893 28.505 10.449 1.00 61.12 C ATOM 686 NH1 ARG A 43 0.695 29.058 10.582 1.00 64.43 N ATOM 687 NH2 ARG A 43 2.159 27.354 11.054 1.00 54.12 N ATOM 0 H ARG A 43 5.114 29.157 5.735 1.00 30.02 H new ATOM 0 HA ARG A 43 4.047 31.766 4.858 1.00 64.54 H new ATOM 0 HB2 ARG A 43 2.553 31.604 6.578 1.00 71.52 H new ATOM 0 HB3 ARG A 43 2.832 29.890 6.342 1.00 71.52 H new ATOM 0 HG2 ARG A 43 4.536 29.926 8.157 1.00 13.34 H new ATOM 0 HG3 ARG A 43 4.236 31.635 8.400 1.00 13.34 H new ATOM 0 HD2 ARG A 43 2.495 31.166 9.743 1.00 54.32 H new ATOM 0 HD3 ARG A 43 1.692 30.314 8.439 1.00 54.32 H new ATOM 0 HE ARG A 43 3.736 28.648 9.630 1.00 31.24 H new ATOM 0 HH11 ARG A 43 0.487 29.942 10.118 1.00 64.43 H new ATOM 0 HH12 ARG A 43 -0.019 28.599 11.148 1.00 64.43 H new ATOM 0 HH21 ARG A 43 3.079 26.926 10.953 1.00 54.12 H new ATOM 0 HH22 ARG A 43 1.443 26.898 11.620 1.00 54.12 H new ATOM 701 N SER A 44 6.755 31.358 6.350 1.00 44.33 N ATOM 702 CA SER A 44 7.898 31.990 6.999 1.00 63.32 C ATOM 703 C SER A 44 7.673 32.105 8.503 1.00 1.23 C ATOM 704 O SER A 44 6.540 32.038 8.981 1.00 42.03 O ATOM 705 CB SER A 44 8.150 33.376 6.401 1.00 34.54 C ATOM 706 OG SER A 44 8.949 34.166 7.264 1.00 21.44 O ATOM 0 H SER A 44 6.968 30.475 5.887 1.00 44.33 H new ATOM 0 HA SER A 44 8.774 31.364 6.827 1.00 63.32 H new ATOM 0 HB2 SER A 44 8.644 33.274 5.435 1.00 34.54 H new ATOM 0 HB3 SER A 44 7.199 33.877 6.222 1.00 34.54 H new ATOM 0 HG SER A 44 8.396 34.863 7.674 1.00 21.44 H new ATOM 712 N LYS A 45 8.761 32.279 9.246 1.00 12.33 N ATOM 713 CA LYS A 45 8.685 32.406 10.697 1.00 70.21 C ATOM 714 C LYS A 45 7.677 33.478 11.098 1.00 51.14 C ATOM 715 O LYS A 45 6.726 33.206 11.830 1.00 0.51 O ATOM 716 CB LYS A 45 10.062 32.745 11.273 1.00 71.44 C ATOM 717 CG LYS A 45 11.173 31.844 10.762 1.00 20.52 C ATOM 718 CD LYS A 45 12.062 32.565 9.763 1.00 14.31 C ATOM 719 CE LYS A 45 12.876 31.586 8.932 1.00 24.34 C ATOM 720 NZ LYS A 45 12.007 30.652 8.165 1.00 34.31 N ATOM 0 H LYS A 45 9.706 32.335 8.867 1.00 12.33 H new ATOM 0 HA LYS A 45 8.353 31.450 11.103 1.00 70.21 H new ATOM 0 HB2 LYS A 45 10.304 33.780 11.030 1.00 71.44 H new ATOM 0 HB3 LYS A 45 10.019 32.675 12.360 1.00 71.44 H new ATOM 0 HG2 LYS A 45 11.775 31.496 11.601 1.00 20.52 H new ATOM 0 HG3 LYS A 45 10.739 30.961 10.293 1.00 20.52 H new ATOM 0 HD2 LYS A 45 11.447 33.179 9.105 1.00 14.31 H new ATOM 0 HD3 LYS A 45 12.734 33.240 10.293 1.00 14.31 H new ATOM 0 HE2 LYS A 45 13.513 32.138 8.242 1.00 24.34 H new ATOM 0 HE3 LYS A 45 13.535 31.015 9.586 1.00 24.34 H new ATOM 0 HZ1 LYS A 45 12.527 30.294 7.338 1.00 34.31 H new ATOM 0 HZ2 LYS A 45 11.733 29.854 8.773 1.00 34.31 H new ATOM 0 HZ3 LYS A 45 11.154 31.154 7.847 1.00 34.31 H new ATOM 734 N ALA A 46 7.891 34.696 10.611 1.00 12.34 N ATOM 735 CA ALA A 46 6.999 35.808 10.916 1.00 32.02 C ATOM 736 C ALA A 46 6.830 36.724 9.709 1.00 64.24 C ATOM 737 O ALA A 46 7.403 36.479 8.646 1.00 71.41 O ATOM 738 CB ALA A 46 7.524 36.594 12.108 1.00 11.42 C ATOM 0 H ALA A 46 8.674 34.938 10.004 1.00 12.34 H new ATOM 0 HA ALA A 46 6.021 35.398 11.167 1.00 32.02 H new ATOM 0 HB1 ALA A 46 6.848 37.421 12.325 1.00 11.42 H new ATOM 0 HB2 ALA A 46 7.586 35.939 12.977 1.00 11.42 H new ATOM 0 HB3 ALA A 46 8.515 36.986 11.878 1.00 11.42 H new ATOM 744 N LEU A 47 6.041 37.779 9.878 1.00 45.11 N ATOM 745 CA LEU A 47 5.797 38.732 8.801 1.00 51.12 C ATOM 746 C LEU A 47 6.227 40.138 9.209 1.00 35.53 C ATOM 747 O LEU A 47 6.867 40.326 10.244 1.00 53.21 O ATOM 748 CB LEU A 47 4.316 38.730 8.418 1.00 11.21 C ATOM 749 CG LEU A 47 3.713 37.368 8.075 1.00 61.45 C ATOM 750 CD1 LEU A 47 3.270 36.646 9.338 1.00 50.12 C ATOM 751 CD2 LEU A 47 2.545 37.528 7.112 1.00 2.33 C ATOM 0 H LEU A 47 5.559 37.996 10.750 1.00 45.11 H new ATOM 0 HA LEU A 47 6.390 38.427 7.938 1.00 51.12 H new ATOM 0 HB2 LEU A 47 3.747 39.159 9.243 1.00 11.21 H new ATOM 0 HB3 LEU A 47 4.182 39.390 7.561 1.00 11.21 H new ATOM 0 HG LEU A 47 4.480 36.766 7.587 1.00 61.45 H new ATOM 0 HD11 LEU A 47 2.843 35.678 9.073 1.00 50.12 H new ATOM 0 HD12 LEU A 47 4.129 36.497 9.992 1.00 50.12 H new ATOM 0 HD13 LEU A 47 2.520 37.244 9.855 1.00 50.12 H new ATOM 0 HD21 LEU A 47 2.128 36.548 6.879 1.00 2.33 H new ATOM 0 HD22 LEU A 47 1.776 38.149 7.572 1.00 2.33 H new ATOM 0 HD23 LEU A 47 2.893 38.002 6.194 1.00 2.33 H new ATOM 763 N PHE A 48 5.868 41.121 8.391 1.00 44.41 N ATOM 764 CA PHE A 48 6.216 42.510 8.668 1.00 53.44 C ATOM 765 C PHE A 48 4.963 43.377 8.757 1.00 72.15 C ATOM 766 O PHE A 48 4.744 44.258 7.925 1.00 31.11 O ATOM 767 CB PHE A 48 7.147 43.051 7.581 1.00 5.42 C ATOM 768 CG PHE A 48 6.692 42.730 6.186 1.00 0.34 C ATOM 769 CD1 PHE A 48 6.930 41.481 5.636 1.00 43.30 C ATOM 770 CD2 PHE A 48 6.025 43.677 5.426 1.00 42.21 C ATOM 771 CE1 PHE A 48 6.513 41.184 4.352 1.00 30.35 C ATOM 772 CE2 PHE A 48 5.605 43.385 4.142 1.00 40.22 C ATOM 773 CZ PHE A 48 5.848 42.136 3.605 1.00 44.30 C ATOM 0 H PHE A 48 5.337 40.982 7.531 1.00 44.41 H new ATOM 0 HA PHE A 48 6.730 42.545 9.628 1.00 53.44 H new ATOM 0 HB2 PHE A 48 7.227 44.133 7.688 1.00 5.42 H new ATOM 0 HB3 PHE A 48 8.145 42.641 7.732 1.00 5.42 H new ATOM 0 HD1 PHE A 48 7.447 40.731 6.217 1.00 43.30 H new ATOM 0 HD2 PHE A 48 5.831 44.655 5.842 1.00 42.21 H new ATOM 0 HE1 PHE A 48 6.707 40.208 3.933 1.00 30.35 H new ATOM 0 HE2 PHE A 48 5.087 44.133 3.559 1.00 40.22 H new ATOM 0 HZ PHE A 48 5.519 41.904 2.603 1.00 44.30 H new ATOM 783 N SER A 49 4.143 43.119 9.771 1.00 42.32 N ATOM 784 CA SER A 49 2.910 43.872 9.967 1.00 73.10 C ATOM 785 C SER A 49 3.197 45.366 10.083 1.00 64.31 C ATOM 786 O SER A 49 2.320 46.197 9.852 1.00 34.31 O ATOM 787 CB SER A 49 2.183 43.382 11.221 1.00 54.32 C ATOM 788 OG SER A 49 0.966 42.737 10.886 1.00 64.33 O ATOM 0 H SER A 49 4.310 42.394 10.469 1.00 42.32 H new ATOM 0 HA SER A 49 2.272 43.709 9.098 1.00 73.10 H new ATOM 0 HB2 SER A 49 2.824 42.693 11.771 1.00 54.32 H new ATOM 0 HB3 SER A 49 1.981 44.226 11.881 1.00 54.32 H new ATOM 0 HG SER A 49 0.522 42.432 11.704 1.00 64.33 H new ATOM 794 N GLN A 50 4.433 45.698 10.442 1.00 22.20 N ATOM 795 CA GLN A 50 4.837 47.091 10.589 1.00 0.15 C ATOM 796 C GLN A 50 6.316 47.194 10.948 1.00 12.32 C ATOM 797 O GLN A 50 7.073 46.238 10.784 1.00 73.44 O ATOM 798 CB GLN A 50 3.991 47.779 11.662 1.00 34.43 C ATOM 799 CG GLN A 50 3.486 49.152 11.251 1.00 13.21 C ATOM 800 CD GLN A 50 1.974 49.254 11.291 1.00 54.13 C ATOM 801 OE1 GLN A 50 1.343 48.911 12.291 1.00 72.11 O ATOM 802 NE2 GLN A 50 1.383 49.728 10.200 1.00 62.12 N ATOM 0 H GLN A 50 5.171 45.022 10.636 1.00 22.20 H new ATOM 0 HA GLN A 50 4.678 47.592 9.634 1.00 0.15 H new ATOM 0 HB2 GLN A 50 3.138 47.144 11.902 1.00 34.43 H new ATOM 0 HB3 GLN A 50 4.583 47.876 12.572 1.00 34.43 H new ATOM 0 HG2 GLN A 50 3.915 49.905 11.912 1.00 13.21 H new ATOM 0 HG3 GLN A 50 3.835 49.376 10.243 1.00 13.21 H new ATOM 0 HE21 GLN A 50 1.945 50.001 9.393 1.00 62.12 H new ATOM 0 HE22 GLN A 50 0.368 49.819 10.169 1.00 62.12 H new ATOM 811 N SER A 51 6.721 48.361 11.439 1.00 54.41 N ATOM 812 CA SER A 51 8.110 48.591 11.817 1.00 21.01 C ATOM 813 C SER A 51 8.445 47.870 13.120 1.00 52.34 C ATOM 814 O SER A 51 8.808 48.498 14.114 1.00 54.44 O ATOM 815 CB SER A 51 8.379 50.090 11.967 1.00 61.45 C ATOM 816 OG SER A 51 7.732 50.828 10.945 1.00 44.24 O ATOM 0 H SER A 51 6.106 49.162 11.584 1.00 54.41 H new ATOM 0 HA SER A 51 8.746 48.192 11.027 1.00 21.01 H new ATOM 0 HB2 SER A 51 8.030 50.430 12.942 1.00 61.45 H new ATOM 0 HB3 SER A 51 9.452 50.276 11.930 1.00 61.45 H new ATOM 0 HG SER A 51 7.918 51.783 11.064 1.00 44.24 H new ATOM 822 N ALA A 52 8.320 46.547 13.105 1.00 14.34 N ATOM 823 CA ALA A 52 8.610 45.740 14.284 1.00 63.24 C ATOM 824 C ALA A 52 9.956 45.035 14.148 1.00 73.12 C ATOM 825 O ALA A 52 10.574 44.660 15.145 1.00 73.24 O ATOM 826 CB ALA A 52 7.501 44.724 14.514 1.00 1.32 C ATOM 0 H ALA A 52 8.020 46.012 12.290 1.00 14.34 H new ATOM 0 HA ALA A 52 8.662 46.405 15.146 1.00 63.24 H new ATOM 0 HB1 ALA A 52 7.731 44.128 15.397 1.00 1.32 H new ATOM 0 HB2 ALA A 52 6.555 45.245 14.664 1.00 1.32 H new ATOM 0 HB3 ALA A 52 7.421 44.070 13.646 1.00 1.32 H new ATOM 832 N ILE A 53 10.403 44.858 12.909 1.00 20.43 N ATOM 833 CA ILE A 53 11.675 44.198 12.644 1.00 25.23 C ATOM 834 C ILE A 53 12.591 45.086 11.809 1.00 65.53 C ATOM 835 O ILE A 53 13.740 44.732 11.541 1.00 53.24 O ATOM 836 CB ILE A 53 11.473 42.857 11.914 1.00 21.14 C ATOM 837 CG1 ILE A 53 10.334 42.971 10.900 1.00 74.54 C ATOM 838 CG2 ILE A 53 11.190 41.747 12.915 1.00 33.41 C ATOM 839 CD1 ILE A 53 10.467 42.018 9.732 1.00 32.12 C ATOM 0 H ILE A 53 9.903 45.162 12.074 1.00 20.43 H new ATOM 0 HA ILE A 53 12.140 44.008 13.612 1.00 25.23 H new ATOM 0 HB ILE A 53 12.389 42.610 11.377 1.00 21.14 H new ATOM 0 HG12 ILE A 53 9.387 42.782 11.406 1.00 74.54 H new ATOM 0 HG13 ILE A 53 10.295 43.993 10.522 1.00 74.54 H new ATOM 0 HG21 ILE A 53 11.049 40.805 12.384 1.00 33.41 H new ATOM 0 HG22 ILE A 53 12.031 41.654 13.602 1.00 33.41 H new ATOM 0 HG23 ILE A 53 10.287 41.985 13.477 1.00 33.41 H new ATOM 0 HD11 ILE A 53 9.625 42.154 9.054 1.00 32.12 H new ATOM 0 HD12 ILE A 53 11.397 42.221 9.201 1.00 32.12 H new ATOM 0 HD13 ILE A 53 10.475 40.992 10.099 1.00 32.12 H new ATOM 851 N SER A 54 12.076 46.241 11.401 1.00 1.02 N ATOM 852 CA SER A 54 12.847 47.180 10.594 1.00 31.41 C ATOM 853 C SER A 54 13.472 46.477 9.393 1.00 52.14 C ATOM 854 O SER A 54 14.692 46.341 9.306 1.00 32.42 O ATOM 855 CB SER A 54 13.939 47.836 11.441 1.00 63.52 C ATOM 856 OG SER A 54 13.480 49.045 12.018 1.00 13.31 O ATOM 0 H SER A 54 11.128 46.549 11.616 1.00 1.02 H new ATOM 0 HA SER A 54 12.168 47.951 10.229 1.00 31.41 H new ATOM 0 HB2 SER A 54 14.254 47.151 12.228 1.00 63.52 H new ATOM 0 HB3 SER A 54 14.814 48.034 10.822 1.00 63.52 H new ATOM 0 HG SER A 54 14.196 49.443 12.556 1.00 13.31 H new ATOM 862 N GLN A 55 12.626 46.034 8.468 1.00 33.34 N ATOM 863 CA GLN A 55 13.095 45.345 7.272 1.00 35.50 C ATOM 864 C GLN A 55 14.111 46.195 6.517 1.00 73.01 C ATOM 865 O GLN A 55 14.910 45.679 5.735 1.00 31.14 O ATOM 866 CB GLN A 55 11.916 45.006 6.358 1.00 33.21 C ATOM 867 CG GLN A 55 12.332 44.396 5.029 1.00 33.43 C ATOM 868 CD GLN A 55 11.147 43.942 4.199 1.00 23.43 C ATOM 869 OE1 GLN A 55 9.994 44.112 4.597 1.00 63.24 O ATOM 870 NE2 GLN A 55 11.426 43.360 3.038 1.00 33.15 N ATOM 0 H GLN A 55 11.613 46.140 8.524 1.00 33.34 H new ATOM 0 HA GLN A 55 13.582 44.421 7.583 1.00 35.50 H new ATOM 0 HB2 GLN A 55 11.254 44.312 6.875 1.00 33.21 H new ATOM 0 HB3 GLN A 55 11.342 45.913 6.168 1.00 33.21 H new ATOM 0 HG2 GLN A 55 12.909 45.127 4.463 1.00 33.43 H new ATOM 0 HG3 GLN A 55 12.989 43.546 5.213 1.00 33.43 H new ATOM 0 HE21 GLN A 55 12.396 43.240 2.748 1.00 33.15 H new ATOM 0 HE22 GLN A 55 10.670 43.033 2.437 1.00 33.15 H new ATOM 879 N LYS A 56 14.074 47.502 6.755 1.00 65.31 N ATOM 880 CA LYS A 56 14.992 48.425 6.099 1.00 43.15 C ATOM 881 C LYS A 56 16.429 47.920 6.188 1.00 72.13 C ATOM 882 O LYS A 56 17.221 48.109 5.265 1.00 14.22 O ATOM 883 CB LYS A 56 14.889 49.815 6.731 1.00 61.10 C ATOM 884 CG LYS A 56 15.342 49.859 8.180 1.00 32.21 C ATOM 885 CD LYS A 56 14.621 50.948 8.957 1.00 43.13 C ATOM 886 CE LYS A 56 15.338 52.284 8.838 1.00 2.32 C ATOM 887 NZ LYS A 56 14.832 53.085 7.689 1.00 0.44 N ATOM 0 H LYS A 56 13.418 47.946 7.398 1.00 65.31 H new ATOM 0 HA LYS A 56 14.713 48.489 5.047 1.00 43.15 H new ATOM 0 HB2 LYS A 56 15.490 50.515 6.150 1.00 61.10 H new ATOM 0 HB3 LYS A 56 13.856 50.156 6.672 1.00 61.10 H new ATOM 0 HG2 LYS A 56 15.157 48.893 8.649 1.00 32.21 H new ATOM 0 HG3 LYS A 56 16.417 50.033 8.221 1.00 32.21 H new ATOM 0 HD2 LYS A 56 13.601 51.047 8.586 1.00 43.13 H new ATOM 0 HD3 LYS A 56 14.552 50.663 10.007 1.00 43.13 H new ATOM 0 HE2 LYS A 56 15.207 52.850 9.761 1.00 2.32 H new ATOM 0 HE3 LYS A 56 16.408 52.113 8.718 1.00 2.32 H new ATOM 0 HZ1 LYS A 56 15.346 53.988 7.642 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 14.980 52.556 6.806 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 13.817 53.271 7.816 1.00 0.44 H new ATOM 901 N GLU A 57 16.757 47.276 7.303 1.00 34.53 N ATOM 902 CA GLU A 57 18.098 46.743 7.511 1.00 60.21 C ATOM 903 C GLU A 57 18.065 45.533 8.441 1.00 42.24 C ATOM 904 O GLU A 57 19.081 45.160 9.028 1.00 41.22 O ATOM 905 CB GLU A 57 19.015 47.821 8.092 1.00 51.44 C ATOM 906 CG GLU A 57 19.113 49.067 7.227 1.00 12.11 C ATOM 907 CD GLU A 57 20.237 49.989 7.658 1.00 40.13 C ATOM 908 OE1 GLU A 57 21.219 49.491 8.246 1.00 24.05 O ATOM 909 OE2 GLU A 57 20.135 51.208 7.406 1.00 33.14 O ATOM 0 H GLU A 57 16.113 47.111 8.076 1.00 34.53 H new ATOM 0 HA GLU A 57 18.489 46.426 6.544 1.00 60.21 H new ATOM 0 HB2 GLU A 57 18.651 48.102 9.080 1.00 51.44 H new ATOM 0 HB3 GLU A 57 20.013 47.403 8.227 1.00 51.44 H new ATOM 0 HG2 GLU A 57 19.267 48.773 6.189 1.00 12.11 H new ATOM 0 HG3 GLU A 57 18.168 49.609 7.268 1.00 12.11 H new ATOM 916 N TYR A 58 16.891 44.925 8.569 1.00 2.43 N ATOM 917 CA TYR A 58 16.724 43.760 9.429 1.00 22.15 C ATOM 918 C TYR A 58 17.714 42.661 9.056 1.00 73.55 C ATOM 919 O TYR A 58 18.477 42.796 8.099 1.00 4.14 O ATOM 920 CB TYR A 58 15.293 43.228 9.331 1.00 2.55 C ATOM 921 CG TYR A 58 15.055 42.349 8.125 1.00 41.34 C ATOM 922 CD1 TYR A 58 15.552 42.700 6.876 1.00 40.54 C ATOM 923 CD2 TYR A 58 14.334 41.167 8.234 1.00 72.33 C ATOM 924 CE1 TYR A 58 15.336 41.901 5.770 1.00 21.42 C ATOM 925 CE2 TYR A 58 14.114 40.360 7.134 1.00 23.20 C ATOM 926 CZ TYR A 58 14.617 40.731 5.904 1.00 10.35 C ATOM 927 OH TYR A 58 14.401 39.931 4.806 1.00 10.01 O ATOM 0 H TYR A 58 16.041 45.220 8.088 1.00 2.43 H new ATOM 0 HA TYR A 58 16.920 44.067 10.456 1.00 22.15 H new ATOM 0 HB2 TYR A 58 15.062 42.662 10.234 1.00 2.55 H new ATOM 0 HB3 TYR A 58 14.603 44.071 9.298 1.00 2.55 H new ATOM 0 HD1 TYR A 58 16.117 43.614 6.768 1.00 40.54 H new ATOM 0 HD2 TYR A 58 13.938 40.873 9.195 1.00 72.33 H new ATOM 0 HE1 TYR A 58 15.728 42.190 4.806 1.00 21.42 H new ATOM 0 HE2 TYR A 58 13.551 39.444 7.237 1.00 23.20 H new ATOM 0 HH TYR A 58 14.646 39.007 5.021 1.00 10.01 H new ATOM 937 N ASP A 59 17.693 41.572 9.816 1.00 22.32 N ATOM 938 CA ASP A 59 18.587 40.447 9.565 1.00 34.33 C ATOM 939 C ASP A 59 18.012 39.525 8.494 1.00 30.12 C ATOM 940 O ASP A 59 16.796 39.429 8.331 1.00 13.01 O ATOM 941 CB ASP A 59 18.828 39.662 10.856 1.00 74.34 C ATOM 942 CG ASP A 59 20.176 39.969 11.477 1.00 12.11 C ATOM 943 OD1 ASP A 59 20.545 41.161 11.535 1.00 12.02 O ATOM 944 OD2 ASP A 59 20.862 39.018 11.906 1.00 14.02 O ATOM 0 H ASP A 59 17.067 41.444 10.611 1.00 22.32 H new ATOM 0 HA ASP A 59 19.537 40.842 9.207 1.00 34.33 H new ATOM 0 HB2 ASP A 59 18.040 39.895 11.572 1.00 74.34 H new ATOM 0 HB3 ASP A 59 18.763 38.594 10.646 1.00 74.34 H new ATOM 949 N SER A 60 18.895 38.850 7.766 1.00 63.41 N ATOM 950 CA SER A 60 18.476 37.939 6.707 1.00 42.12 C ATOM 951 C SER A 60 18.381 36.508 7.227 1.00 65.23 C ATOM 952 O SER A 60 17.633 35.690 6.692 1.00 30.22 O ATOM 953 CB SER A 60 19.455 38.003 5.533 1.00 41.51 C ATOM 954 OG SER A 60 20.635 38.703 5.890 1.00 15.11 O ATOM 0 H SER A 60 19.905 38.917 7.890 1.00 63.41 H new ATOM 0 HA SER A 60 17.489 38.249 6.365 1.00 42.12 H new ATOM 0 HB2 SER A 60 19.710 36.993 5.213 1.00 41.51 H new ATOM 0 HB3 SER A 60 18.979 38.495 4.685 1.00 41.51 H new ATOM 0 HG SER A 60 21.245 38.728 5.123 1.00 15.11 H new ATOM 960 N SER A 61 19.146 36.213 8.273 1.00 4.21 N ATOM 961 CA SER A 61 19.153 34.880 8.864 1.00 13.22 C ATOM 962 C SER A 61 17.756 34.489 9.337 1.00 72.01 C ATOM 963 O SER A 61 17.431 33.305 9.439 1.00 51.21 O ATOM 964 CB SER A 61 20.135 34.824 10.036 1.00 35.51 C ATOM 965 OG SER A 61 21.241 33.991 9.735 1.00 73.32 O ATOM 0 H SER A 61 19.769 36.879 8.729 1.00 4.21 H new ATOM 0 HA SER A 61 19.471 34.171 8.099 1.00 13.22 H new ATOM 0 HB2 SER A 61 20.486 35.829 10.269 1.00 35.51 H new ATOM 0 HB3 SER A 61 19.625 34.450 10.924 1.00 35.51 H new ATOM 0 HG SER A 61 21.855 33.973 10.499 1.00 73.32 H new ATOM 971 N LEU A 62 16.933 35.492 9.624 1.00 22.44 N ATOM 972 CA LEU A 62 15.570 35.254 10.087 1.00 41.32 C ATOM 973 C LEU A 62 14.611 35.118 8.908 1.00 24.23 C ATOM 974 O LEU A 62 13.396 35.054 9.089 1.00 73.15 O ATOM 975 CB LEU A 62 15.115 36.394 11.000 1.00 33.20 C ATOM 976 CG LEU A 62 14.714 37.694 10.302 1.00 34.11 C ATOM 977 CD1 LEU A 62 13.214 37.920 10.415 1.00 30.04 C ATOM 978 CD2 LEU A 62 15.478 38.872 10.888 1.00 22.24 C ATOM 0 H LEU A 62 17.186 36.477 9.544 1.00 22.44 H new ATOM 0 HA LEU A 62 15.561 34.320 10.649 1.00 41.32 H new ATOM 0 HB2 LEU A 62 14.267 36.045 11.589 1.00 33.20 H new ATOM 0 HB3 LEU A 62 15.920 36.615 11.701 1.00 33.20 H new ATOM 0 HG LEU A 62 14.970 37.610 9.246 1.00 34.11 H new ATOM 0 HD11 LEU A 62 12.947 38.850 9.913 1.00 30.04 H new ATOM 0 HD12 LEU A 62 12.685 37.090 9.947 1.00 30.04 H new ATOM 0 HD13 LEU A 62 12.934 37.983 11.466 1.00 30.04 H new ATOM 0 HD21 LEU A 62 15.180 39.789 10.379 1.00 22.24 H new ATOM 0 HD22 LEU A 62 15.254 38.958 11.951 1.00 22.24 H new ATOM 0 HD23 LEU A 62 16.548 38.714 10.754 1.00 22.24 H new ATOM 990 N ALA A 63 15.167 35.072 7.702 1.00 24.31 N ATOM 991 CA ALA A 63 14.362 34.938 6.494 1.00 3.24 C ATOM 992 C ALA A 63 15.068 34.072 5.457 1.00 45.13 C ATOM 993 O ALA A 63 15.374 34.529 4.355 1.00 51.23 O ATOM 994 CB ALA A 63 14.049 36.310 5.915 1.00 72.42 C ATOM 0 H ALA A 63 16.172 35.126 7.535 1.00 24.31 H new ATOM 0 HA ALA A 63 13.427 34.447 6.762 1.00 3.24 H new ATOM 0 HB1 ALA A 63 13.447 36.196 5.013 1.00 72.42 H new ATOM 0 HB2 ALA A 63 13.496 36.897 6.648 1.00 72.42 H new ATOM 0 HB3 ALA A 63 14.979 36.822 5.668 1.00 72.42 H new ATOM 1000 N THR A 64 15.327 32.818 5.816 1.00 54.32 N ATOM 1001 CA THR A 64 15.999 31.889 4.917 1.00 74.23 C ATOM 1002 C THR A 64 16.170 30.521 5.568 1.00 42.13 C ATOM 1003 O THR A 64 15.679 30.281 6.672 1.00 51.55 O ATOM 1004 CB THR A 64 17.381 32.419 4.491 1.00 53.11 C ATOM 1005 OG1 THR A 64 17.766 33.512 5.332 1.00 45.02 O ATOM 1006 CG2 THR A 64 17.363 32.872 3.039 1.00 73.23 C ATOM 0 H THR A 64 15.081 32.423 6.724 1.00 54.32 H new ATOM 0 HA THR A 64 15.368 31.792 4.034 1.00 74.23 H new ATOM 0 HB THR A 64 18.104 31.610 4.593 1.00 53.11 H new ATOM 0 HG1 THR A 64 18.646 33.843 5.056 1.00 45.02 H new ATOM 0 HG21 THR A 64 18.350 33.242 2.761 1.00 73.23 H new ATOM 0 HG22 THR A 64 17.097 32.031 2.399 1.00 73.23 H new ATOM 0 HG23 THR A 64 16.629 33.668 2.915 1.00 73.23 H new ATOM 1014 N LEU A 65 16.870 29.627 4.879 1.00 63.14 N ATOM 1015 CA LEU A 65 17.108 28.282 5.391 1.00 72.34 C ATOM 1016 C LEU A 65 15.812 27.655 5.896 1.00 63.22 C ATOM 1017 O LEU A 65 15.820 26.864 6.840 1.00 43.24 O ATOM 1018 CB LEU A 65 18.143 28.319 6.516 1.00 32.54 C ATOM 1019 CG LEU A 65 19.097 29.514 6.512 1.00 33.52 C ATOM 1020 CD1 LEU A 65 18.550 30.636 7.381 1.00 62.21 C ATOM 1021 CD2 LEU A 65 20.480 29.094 6.988 1.00 32.51 C ATOM 0 H LEU A 65 17.283 29.809 3.964 1.00 63.14 H new ATOM 0 HA LEU A 65 17.491 27.671 4.574 1.00 72.34 H new ATOM 0 HB2 LEU A 65 17.615 28.305 7.469 1.00 32.54 H new ATOM 0 HB3 LEU A 65 18.736 27.406 6.467 1.00 32.54 H new ATOM 0 HG LEU A 65 19.183 29.883 5.490 1.00 33.52 H new ATOM 0 HD11 LEU A 65 19.242 31.478 7.366 1.00 62.21 H new ATOM 0 HD12 LEU A 65 17.582 30.955 6.996 1.00 62.21 H new ATOM 0 HD13 LEU A 65 18.434 30.280 8.405 1.00 62.21 H new ATOM 0 HD21 LEU A 65 21.146 29.957 6.979 1.00 32.51 H new ATOM 0 HD22 LEU A 65 20.412 28.699 8.002 1.00 32.51 H new ATOM 0 HD23 LEU A 65 20.875 28.324 6.325 1.00 32.51 H new ATOM 1033 N ASP A 66 14.702 28.011 5.260 1.00 14.21 N ATOM 1034 CA ASP A 66 13.398 27.481 5.643 1.00 40.13 C ATOM 1035 C ASP A 66 13.435 25.959 5.731 1.00 60.43 C ATOM 1036 O ASP A 66 14.386 25.323 5.274 1.00 33.21 O ATOM 1037 CB ASP A 66 12.331 27.921 4.639 1.00 35.44 C ATOM 1038 CG ASP A 66 11.077 28.437 5.317 1.00 12.52 C ATOM 1039 OD1 ASP A 66 10.380 27.632 5.968 1.00 32.25 O ATOM 1040 OD2 ASP A 66 10.792 29.648 5.196 1.00 60.53 O ATOM 0 H ASP A 66 14.678 28.664 4.477 1.00 14.21 H new ATOM 0 HA ASP A 66 13.146 27.877 6.627 1.00 40.13 H new ATOM 0 HB2 ASP A 66 12.740 28.701 3.996 1.00 35.44 H new ATOM 0 HB3 ASP A 66 12.073 27.080 3.995 1.00 35.44 H new ATOM 1045 N HIS A 67 12.395 25.380 6.322 1.00 74.54 N ATOM 1046 CA HIS A 67 12.308 23.931 6.470 1.00 4.01 C ATOM 1047 C HIS A 67 11.006 23.401 5.878 1.00 20.21 C ATOM 1048 O HIS A 67 9.977 24.076 5.908 1.00 12.54 O ATOM 1049 CB HIS A 67 12.407 23.542 7.945 1.00 24.43 C ATOM 1050 CG HIS A 67 13.474 24.284 8.690 1.00 33.25 C ATOM 1051 ND1 HIS A 67 14.716 24.666 8.312 1.00 70.31 N flip ATOM 1052 CD2 HIS A 67 13.320 24.719 9.990 1.00 53.12 C flip ATOM 1053 CE1 HIS A 67 15.283 25.319 9.378 1.00 74.03 C flip ATOM 1054 NE2 HIS A 67 14.421 25.338 10.378 1.00 44.41 N flip ATOM 0 H HIS A 67 11.601 25.892 6.706 1.00 74.54 H new ATOM 0 HA HIS A 67 13.141 23.484 5.927 1.00 4.01 H new ATOM 0 HB2 HIS A 67 11.446 23.725 8.426 1.00 24.43 H new ATOM 0 HB3 HIS A 67 12.602 22.472 8.018 1.00 24.43 H new ATOM 0 HD2 HIS A 67 12.437 24.576 10.596 1.00 53.12 H new ATOM 0 HE1 HIS A 67 16.274 25.748 9.396 1.00 74.03 H new ATOM 0 HE2 HIS A 67 14.578 25.759 11.294 1.00 44.41 H new ATOM 1062 N THR A 68 11.058 22.187 5.339 1.00 73.25 N ATOM 1063 CA THR A 68 9.884 21.567 4.738 1.00 75.22 C ATOM 1064 C THR A 68 9.518 20.272 5.455 1.00 40.15 C ATOM 1065 O THR A 68 10.193 19.255 5.300 1.00 42.11 O ATOM 1066 CB THR A 68 10.109 21.267 3.244 1.00 52.23 C ATOM 1067 OG1 THR A 68 10.370 22.483 2.534 1.00 14.31 O ATOM 1068 CG2 THR A 68 8.896 20.573 2.642 1.00 2.11 C ATOM 0 H THR A 68 11.901 21.614 5.306 1.00 73.25 H new ATOM 0 HA THR A 68 9.065 22.279 4.838 1.00 75.22 H new ATOM 0 HB THR A 68 10.969 20.603 3.155 1.00 52.23 H new ATOM 0 HG1 THR A 68 11.197 22.887 2.871 1.00 14.31 H new ATOM 0 HG21 THR A 68 9.079 20.372 1.586 1.00 2.11 H new ATOM 0 HG22 THR A 68 8.717 19.634 3.165 1.00 2.11 H new ATOM 0 HG23 THR A 68 8.022 21.216 2.743 1.00 2.11 H new ATOM 1076 N GLU A 69 8.445 20.317 6.238 1.00 2.43 N ATOM 1077 CA GLU A 69 7.991 19.146 6.979 1.00 50.22 C ATOM 1078 C GLU A 69 7.348 18.127 6.043 1.00 35.23 C ATOM 1079 O GLU A 69 6.507 18.474 5.214 1.00 55.33 O ATOM 1080 CB GLU A 69 6.995 19.557 8.066 1.00 43.04 C ATOM 1081 CG GLU A 69 7.400 20.813 8.818 1.00 11.43 C ATOM 1082 CD GLU A 69 6.461 21.134 9.965 1.00 2.21 C ATOM 1083 OE1 GLU A 69 6.501 20.412 10.983 1.00 4.35 O ATOM 1084 OE2 GLU A 69 5.687 22.106 9.845 1.00 54.14 O ATOM 0 H GLU A 69 7.874 21.151 6.376 1.00 2.43 H new ATOM 0 HA GLU A 69 8.860 18.685 7.449 1.00 50.22 H new ATOM 0 HB2 GLU A 69 6.018 19.716 7.610 1.00 43.04 H new ATOM 0 HB3 GLU A 69 6.886 18.737 8.776 1.00 43.04 H new ATOM 0 HG2 GLU A 69 8.412 20.690 9.205 1.00 11.43 H new ATOM 0 HG3 GLU A 69 7.423 21.655 8.126 1.00 11.43 H new ATOM 1091 N ILE A 70 7.750 16.868 6.183 1.00 15.11 N ATOM 1092 CA ILE A 70 7.212 15.798 5.351 1.00 3.35 C ATOM 1093 C ILE A 70 6.093 15.052 6.070 1.00 2.53 C ATOM 1094 O ILE A 70 6.347 14.202 6.924 1.00 53.21 O ATOM 1095 CB ILE A 70 8.308 14.793 4.950 1.00 41.45 C ATOM 1096 CG1 ILE A 70 9.394 15.491 4.129 1.00 43.45 C ATOM 1097 CG2 ILE A 70 7.705 13.637 4.166 1.00 51.31 C ATOM 1098 CD1 ILE A 70 10.477 16.125 4.974 1.00 52.43 C ATOM 0 H ILE A 70 8.446 16.564 6.864 1.00 15.11 H new ATOM 0 HA ILE A 70 6.813 16.267 4.452 1.00 3.35 H new ATOM 0 HB ILE A 70 8.764 14.394 5.856 1.00 41.45 H new ATOM 0 HG12 ILE A 70 9.849 14.767 3.453 1.00 43.45 H new ATOM 0 HG13 ILE A 70 8.932 16.259 3.509 1.00 43.45 H new ATOM 0 HG21 ILE A 70 8.492 12.935 3.890 1.00 51.31 H new ATOM 0 HG22 ILE A 70 6.964 13.127 4.782 1.00 51.31 H new ATOM 0 HG23 ILE A 70 7.227 14.019 3.264 1.00 51.31 H new ATOM 0 HD11 ILE A 70 11.212 16.601 4.326 1.00 52.43 H new ATOM 0 HD12 ILE A 70 10.034 16.873 5.631 1.00 52.43 H new ATOM 0 HD13 ILE A 70 10.966 15.358 5.575 1.00 52.43 H new ATOM 1110 N LYS A 71 4.853 15.375 5.718 1.00 3.32 N ATOM 1111 CA LYS A 71 3.693 14.735 6.326 1.00 24.54 C ATOM 1112 C LYS A 71 3.260 13.515 5.519 1.00 55.30 C ATOM 1113 O LYS A 71 3.316 13.521 4.290 1.00 54.43 O ATOM 1114 CB LYS A 71 2.534 15.728 6.433 1.00 31.32 C ATOM 1115 CG LYS A 71 2.206 16.422 5.123 1.00 15.41 C ATOM 1116 CD LYS A 71 2.228 17.934 5.273 1.00 53.33 C ATOM 1117 CE LYS A 71 3.618 18.439 5.627 1.00 21.01 C ATOM 1118 NZ LYS A 71 3.619 19.898 5.925 1.00 24.01 N ATOM 0 H LYS A 71 4.626 16.077 5.014 1.00 3.32 H new ATOM 0 HA LYS A 71 3.973 14.406 7.327 1.00 24.54 H new ATOM 0 HB2 LYS A 71 1.648 15.202 6.788 1.00 31.32 H new ATOM 0 HB3 LYS A 71 2.779 16.481 7.182 1.00 31.32 H new ATOM 0 HG2 LYS A 71 2.924 16.120 4.361 1.00 15.41 H new ATOM 0 HG3 LYS A 71 1.222 16.104 4.778 1.00 15.41 H new ATOM 0 HD2 LYS A 71 1.897 18.398 4.344 1.00 53.33 H new ATOM 0 HD3 LYS A 71 1.523 18.234 6.048 1.00 53.33 H new ATOM 0 HE2 LYS A 71 3.994 17.892 6.491 1.00 21.01 H new ATOM 0 HE3 LYS A 71 4.299 18.237 4.801 1.00 21.01 H new ATOM 0 HZ1 LYS A 71 4.598 20.227 6.045 1.00 24.01 H new ATOM 0 HZ2 LYS A 71 3.174 20.413 5.139 1.00 24.01 H new ATOM 0 HZ3 LYS A 71 3.085 20.074 6.800 1.00 24.01 H new ATOM 1132 N ALA A 72 2.826 12.472 6.218 1.00 32.24 N ATOM 1133 CA ALA A 72 2.379 11.247 5.566 1.00 41.30 C ATOM 1134 C ALA A 72 1.274 11.535 4.556 1.00 53.32 C ATOM 1135 O ALA A 72 0.487 12.470 4.709 1.00 5.34 O ATOM 1136 CB ALA A 72 1.901 10.241 6.602 1.00 14.44 C ATOM 0 H ALA A 72 2.774 12.451 7.236 1.00 32.24 H new ATOM 0 HA ALA A 72 3.226 10.822 5.027 1.00 41.30 H new ATOM 0 HB1 ALA A 72 1.570 9.331 6.100 1.00 14.44 H new ATOM 0 HB2 ALA A 72 2.719 10.003 7.283 1.00 14.44 H new ATOM 0 HB3 ALA A 72 1.071 10.666 7.166 1.00 14.44 H new ATOM 1142 N PRO A 73 1.210 10.715 3.497 1.00 63.23 N ATOM 1143 CA PRO A 73 0.205 10.862 2.440 1.00 12.12 C ATOM 1144 C PRO A 73 -1.198 10.508 2.922 1.00 51.32 C ATOM 1145 O PRO A 73 -2.181 11.123 2.508 1.00 40.34 O ATOM 1146 CB PRO A 73 0.668 9.872 1.369 1.00 21.40 C ATOM 1147 CG PRO A 73 1.454 8.848 2.114 1.00 41.43 C ATOM 1148 CD PRO A 73 2.115 9.580 3.249 1.00 21.32 C ATOM 0 HA PRO A 73 0.133 11.890 2.086 1.00 12.12 H new ATOM 0 HB2 PRO A 73 -0.180 9.422 0.853 1.00 21.40 H new ATOM 0 HB3 PRO A 73 1.277 10.365 0.611 1.00 21.40 H new ATOM 0 HG2 PRO A 73 0.807 8.054 2.486 1.00 41.43 H new ATOM 0 HG3 PRO A 73 2.196 8.379 1.468 1.00 41.43 H new ATOM 0 HD2 PRO A 73 2.216 8.947 4.131 1.00 21.32 H new ATOM 0 HD3 PRO A 73 3.117 9.916 2.981 1.00 21.32 H new ATOM 1156 N PHE A 74 -1.284 9.514 3.799 1.00 33.11 N ATOM 1157 CA PHE A 74 -2.568 9.078 4.337 1.00 62.01 C ATOM 1158 C PHE A 74 -2.370 8.169 5.546 1.00 32.33 C ATOM 1159 O PHE A 74 -1.355 7.481 5.660 1.00 12.43 O ATOM 1160 CB PHE A 74 -3.374 8.347 3.261 1.00 24.22 C ATOM 1161 CG PHE A 74 -2.591 7.283 2.545 1.00 11.23 C ATOM 1162 CD1 PHE A 74 -2.503 6.002 3.064 1.00 32.43 C ATOM 1163 CD2 PHE A 74 -1.943 7.565 1.354 1.00 50.35 C ATOM 1164 CE1 PHE A 74 -1.784 5.020 2.408 1.00 53.42 C ATOM 1165 CE2 PHE A 74 -1.223 6.588 0.693 1.00 51.25 C ATOM 1166 CZ PHE A 74 -1.143 5.315 1.221 1.00 65.51 C ATOM 0 H PHE A 74 -0.480 8.995 4.153 1.00 33.11 H new ATOM 0 HA PHE A 74 -3.120 9.962 4.656 1.00 62.01 H new ATOM 0 HB2 PHE A 74 -4.252 7.893 3.721 1.00 24.22 H new ATOM 0 HB3 PHE A 74 -3.735 9.073 2.533 1.00 24.22 H new ATOM 0 HD1 PHE A 74 -3.002 5.767 3.993 1.00 32.43 H new ATOM 0 HD2 PHE A 74 -2.001 8.560 0.937 1.00 50.35 H new ATOM 0 HE1 PHE A 74 -1.724 4.025 2.823 1.00 53.42 H new ATOM 0 HE2 PHE A 74 -0.723 6.820 -0.236 1.00 51.25 H new ATOM 0 HZ PHE A 74 -0.580 4.551 0.706 1.00 65.51 H new ATOM 1176 N ASP A 75 -3.347 8.171 6.447 1.00 40.35 N ATOM 1177 CA ASP A 75 -3.282 7.347 7.648 1.00 60.03 C ATOM 1178 C ASP A 75 -2.955 5.899 7.296 1.00 72.01 C ATOM 1179 O ASP A 75 -3.338 5.406 6.236 1.00 64.42 O ATOM 1180 CB ASP A 75 -4.606 7.413 8.410 1.00 53.31 C ATOM 1181 CG ASP A 75 -4.653 6.444 9.574 1.00 34.52 C ATOM 1182 OD1 ASP A 75 -4.817 5.230 9.329 1.00 10.20 O ATOM 1183 OD2 ASP A 75 -4.528 6.898 10.731 1.00 64.01 O ATOM 0 H ASP A 75 -4.194 8.735 6.368 1.00 40.35 H new ATOM 0 HA ASP A 75 -2.487 7.736 8.283 1.00 60.03 H new ATOM 0 HB2 ASP A 75 -4.759 8.427 8.779 1.00 53.31 H new ATOM 0 HB3 ASP A 75 -5.427 7.195 7.726 1.00 53.31 H new ATOM 1188 N GLY A 76 -2.244 5.223 8.193 1.00 10.14 N ATOM 1189 CA GLY A 76 -1.877 3.839 7.959 1.00 64.12 C ATOM 1190 C GLY A 76 -0.758 3.373 8.870 1.00 51.51 C ATOM 1191 O GLY A 76 -0.779 3.632 10.074 1.00 61.21 O ATOM 0 H GLY A 76 -1.916 5.609 9.078 1.00 10.14 H new ATOM 0 HA2 GLY A 76 -2.751 3.205 8.108 1.00 64.12 H new ATOM 0 HA3 GLY A 76 -1.569 3.719 6.920 1.00 64.12 H new ATOM 1195 N THR A 77 0.222 2.683 8.296 1.00 63.01 N ATOM 1196 CA THR A 77 1.353 2.178 9.064 1.00 32.34 C ATOM 1197 C THR A 77 2.676 2.634 8.461 1.00 40.24 C ATOM 1198 O THR A 77 2.827 2.685 7.240 1.00 60.24 O ATOM 1199 CB THR A 77 1.339 0.639 9.139 1.00 40.23 C ATOM 1200 OG1 THR A 77 0.171 0.193 9.836 1.00 32.12 O ATOM 1201 CG2 THR A 77 2.585 0.120 9.841 1.00 14.10 C ATOM 0 H THR A 77 0.255 2.461 7.301 1.00 63.01 H new ATOM 0 HA THR A 77 1.257 2.585 10.071 1.00 32.34 H new ATOM 0 HB THR A 77 1.325 0.248 8.122 1.00 40.23 H new ATOM 0 HG1 THR A 77 0.169 -0.786 9.878 1.00 32.12 H new ATOM 0 HG21 THR A 77 2.553 -0.969 9.882 1.00 14.10 H new ATOM 0 HG22 THR A 77 3.471 0.436 9.291 1.00 14.10 H new ATOM 0 HG23 THR A 77 2.625 0.520 10.854 1.00 14.10 H new ATOM 1209 N ILE A 78 3.632 2.965 9.323 1.00 74.33 N ATOM 1210 CA ILE A 78 4.943 3.415 8.873 1.00 11.11 C ATOM 1211 C ILE A 78 6.036 2.442 9.303 1.00 14.20 C ATOM 1212 O ILE A 78 5.976 1.865 10.388 1.00 52.11 O ATOM 1213 CB ILE A 78 5.275 4.816 9.419 1.00 13.35 C ATOM 1214 CG1 ILE A 78 6.637 5.281 8.900 1.00 72.22 C ATOM 1215 CG2 ILE A 78 5.256 4.810 10.941 1.00 64.53 C ATOM 1216 CD1 ILE A 78 6.712 6.771 8.650 1.00 70.23 C ATOM 0 H ILE A 78 3.523 2.930 10.337 1.00 74.33 H new ATOM 0 HA ILE A 78 4.905 3.457 7.784 1.00 11.11 H new ATOM 0 HB ILE A 78 4.516 5.515 9.068 1.00 13.35 H new ATOM 0 HG12 ILE A 78 7.406 5.003 9.621 1.00 72.22 H new ATOM 0 HG13 ILE A 78 6.863 4.753 7.973 1.00 72.22 H new ATOM 0 HG21 ILE A 78 5.493 5.807 11.312 1.00 64.53 H new ATOM 0 HG22 ILE A 78 4.266 4.518 11.291 1.00 64.53 H new ATOM 0 HG23 ILE A 78 5.996 4.100 11.311 1.00 64.53 H new ATOM 0 HD11 ILE A 78 7.706 7.029 8.284 1.00 70.23 H new ATOM 0 HD12 ILE A 78 5.967 7.053 7.906 1.00 70.23 H new ATOM 0 HD13 ILE A 78 6.518 7.306 9.580 1.00 70.23 H new ATOM 1228 N GLY A 79 7.035 2.266 8.444 1.00 4.32 N ATOM 1229 CA GLY A 79 8.129 1.364 8.754 1.00 70.23 C ATOM 1230 C GLY A 79 9.241 2.044 9.528 1.00 52.15 C ATOM 1231 O GLY A 79 8.990 2.955 10.316 1.00 13.43 O ATOM 0 H GLY A 79 7.106 2.732 7.539 1.00 4.32 H new ATOM 0 HA2 GLY A 79 7.749 0.523 9.334 1.00 70.23 H new ATOM 0 HA3 GLY A 79 8.533 0.956 7.827 1.00 70.23 H new ATOM 1235 N ASP A 80 10.473 1.600 9.303 1.00 14.15 N ATOM 1236 CA ASP A 80 11.627 2.172 9.986 1.00 24.13 C ATOM 1237 C ASP A 80 12.244 3.298 9.162 1.00 72.42 C ATOM 1238 O ASP A 80 11.725 3.664 8.108 1.00 50.12 O ATOM 1239 CB ASP A 80 12.674 1.090 10.258 1.00 74.34 C ATOM 1240 CG ASP A 80 12.922 0.209 9.049 1.00 21.30 C ATOM 1241 OD1 ASP A 80 12.168 -0.769 8.863 1.00 41.10 O ATOM 1242 OD2 ASP A 80 13.871 0.496 8.290 1.00 41.44 O ATOM 0 H ASP A 80 10.698 0.846 8.653 1.00 14.15 H new ATOM 0 HA ASP A 80 11.287 2.585 10.936 1.00 24.13 H new ATOM 0 HB2 ASP A 80 13.610 1.561 10.559 1.00 74.34 H new ATOM 0 HB3 ASP A 80 12.345 0.472 11.093 1.00 74.34 H new ATOM 1247 N ALA A 81 13.353 3.843 9.650 1.00 22.31 N ATOM 1248 CA ALA A 81 14.041 4.926 8.958 1.00 34.12 C ATOM 1249 C ALA A 81 15.308 4.424 8.274 1.00 33.34 C ATOM 1250 O ALA A 81 16.150 3.779 8.901 1.00 73.21 O ATOM 1251 CB ALA A 81 14.373 6.047 9.932 1.00 52.14 C ATOM 0 H ALA A 81 13.795 3.552 10.522 1.00 22.31 H new ATOM 0 HA ALA A 81 13.374 5.314 8.188 1.00 34.12 H new ATOM 0 HB1 ALA A 81 14.887 6.849 9.402 1.00 52.14 H new ATOM 0 HB2 ALA A 81 13.453 6.433 10.370 1.00 52.14 H new ATOM 0 HB3 ALA A 81 15.018 5.663 10.722 1.00 52.14 H new ATOM 1257 N LEU A 82 15.437 4.722 6.986 1.00 3.15 N ATOM 1258 CA LEU A 82 16.602 4.300 6.217 1.00 44.13 C ATOM 1259 C LEU A 82 17.797 5.207 6.495 1.00 13.20 C ATOM 1260 O LEU A 82 18.909 4.733 6.728 1.00 13.30 O ATOM 1261 CB LEU A 82 16.280 4.307 4.721 1.00 20.44 C ATOM 1262 CG LEU A 82 15.673 3.020 4.160 1.00 0.31 C ATOM 1263 CD1 LEU A 82 14.735 2.386 5.175 1.00 73.32 C ATOM 1264 CD2 LEU A 82 14.940 3.301 2.856 1.00 4.12 C ATOM 0 H LEU A 82 14.749 5.254 6.452 1.00 3.15 H new ATOM 0 HA LEU A 82 16.860 3.286 6.523 1.00 44.13 H new ATOM 0 HB2 LEU A 82 15.591 5.127 4.522 1.00 20.44 H new ATOM 0 HB3 LEU A 82 17.198 4.522 4.173 1.00 20.44 H new ATOM 0 HG LEU A 82 16.481 2.318 3.955 1.00 0.31 H new ATOM 0 HD11 LEU A 82 14.313 1.472 4.758 1.00 73.32 H new ATOM 0 HD12 LEU A 82 15.289 2.149 6.084 1.00 73.32 H new ATOM 0 HD13 LEU A 82 13.931 3.082 5.412 1.00 73.32 H new ATOM 0 HD21 LEU A 82 14.514 2.374 2.471 1.00 4.12 H new ATOM 0 HD22 LEU A 82 14.141 4.020 3.035 1.00 4.12 H new ATOM 0 HD23 LEU A 82 15.639 3.710 2.126 1.00 4.12 H new ATOM 1276 N VAL A 83 17.558 6.515 6.471 1.00 24.22 N ATOM 1277 CA VAL A 83 18.613 7.489 6.724 1.00 23.22 C ATOM 1278 C VAL A 83 18.490 8.082 8.123 1.00 32.22 C ATOM 1279 O VAL A 83 17.631 7.677 8.906 1.00 5.32 O ATOM 1280 CB VAL A 83 18.583 8.630 5.690 1.00 2.13 C ATOM 1281 CG1 VAL A 83 18.731 8.078 4.281 1.00 63.12 C ATOM 1282 CG2 VAL A 83 17.300 9.436 5.824 1.00 32.20 C ATOM 0 H VAL A 83 16.643 6.924 6.279 1.00 24.22 H new ATOM 0 HA VAL A 83 19.561 6.958 6.640 1.00 23.22 H new ATOM 0 HB VAL A 83 19.425 9.295 5.884 1.00 2.13 H new ATOM 0 HG11 VAL A 83 18.707 8.899 3.564 1.00 63.12 H new ATOM 0 HG12 VAL A 83 19.680 7.549 4.195 1.00 63.12 H new ATOM 0 HG13 VAL A 83 17.912 7.390 4.072 1.00 63.12 H new ATOM 0 HG21 VAL A 83 17.295 10.238 5.086 1.00 32.20 H new ATOM 0 HG22 VAL A 83 16.442 8.785 5.657 1.00 32.20 H new ATOM 0 HG23 VAL A 83 17.242 9.864 6.825 1.00 32.20 H new ATOM 1292 N ASN A 84 19.353 9.044 8.430 1.00 5.25 N ATOM 1293 CA ASN A 84 19.341 9.694 9.736 1.00 23.11 C ATOM 1294 C ASN A 84 19.306 11.212 9.588 1.00 32.10 C ATOM 1295 O ASN A 84 19.379 11.739 8.478 1.00 45.13 O ATOM 1296 CB ASN A 84 20.570 9.278 10.547 1.00 20.04 C ATOM 1297 CG ASN A 84 20.477 7.849 11.046 1.00 63.45 C ATOM 1298 OD1 ASN A 84 19.792 7.565 12.028 1.00 54.10 O ATOM 1299 ND2 ASN A 84 21.169 6.940 10.368 1.00 43.00 N ATOM 0 H ASN A 84 20.070 9.391 7.793 1.00 5.25 H new ATOM 0 HA ASN A 84 18.441 9.377 10.263 1.00 23.11 H new ATOM 0 HB2 ASN A 84 21.462 9.387 9.931 1.00 20.04 H new ATOM 0 HB3 ASN A 84 20.685 9.950 11.397 1.00 20.04 H new ATOM 0 HD21 ASN A 84 21.145 5.962 10.656 1.00 43.00 H new ATOM 0 HD22 ASN A 84 21.724 7.220 9.559 1.00 43.00 H new ATOM 1306 N ILE A 85 19.193 11.908 10.714 1.00 2.21 N ATOM 1307 CA ILE A 85 19.150 13.365 10.710 1.00 52.13 C ATOM 1308 C ILE A 85 20.510 13.955 10.351 1.00 32.54 C ATOM 1309 O ILE A 85 21.549 13.351 10.615 1.00 73.42 O ATOM 1310 CB ILE A 85 18.707 13.919 12.077 1.00 53.34 C ATOM 1311 CG1 ILE A 85 17.464 13.178 12.573 1.00 13.22 C ATOM 1312 CG2 ILE A 85 18.436 15.413 11.980 1.00 50.31 C ATOM 1313 CD1 ILE A 85 16.273 13.309 11.649 1.00 31.15 C ATOM 0 H ILE A 85 19.130 11.487 11.641 1.00 2.21 H new ATOM 0 HA ILE A 85 18.420 13.657 9.955 1.00 52.13 H new ATOM 0 HB ILE A 85 19.512 13.761 12.795 1.00 53.34 H new ATOM 0 HG12 ILE A 85 17.705 12.122 12.694 1.00 13.22 H new ATOM 0 HG13 ILE A 85 17.193 13.558 13.558 1.00 13.22 H new ATOM 0 HG21 ILE A 85 18.124 15.790 12.954 1.00 50.31 H new ATOM 0 HG22 ILE A 85 19.344 15.928 11.665 1.00 50.31 H new ATOM 0 HG23 ILE A 85 17.646 15.593 11.251 1.00 50.31 H new ATOM 0 HD11 ILE A 85 15.428 12.759 12.064 1.00 31.15 H new ATOM 0 HD12 ILE A 85 16.006 14.361 11.547 1.00 31.15 H new ATOM 0 HD13 ILE A 85 16.526 12.902 10.670 1.00 31.15 H new ATOM 1325 N GLY A 86 20.495 15.140 9.750 1.00 42.22 N ATOM 1326 CA GLY A 86 21.733 15.793 9.367 1.00 64.04 C ATOM 1327 C GLY A 86 22.354 15.177 8.128 1.00 1.52 C ATOM 1328 O GLY A 86 23.525 15.414 7.830 1.00 72.15 O ATOM 0 H GLY A 86 19.648 15.660 9.521 1.00 42.22 H new ATOM 0 HA2 GLY A 86 21.542 16.851 9.186 1.00 64.04 H new ATOM 0 HA3 GLY A 86 22.442 15.734 10.193 1.00 64.04 H new ATOM 1332 N ASP A 87 21.569 14.385 7.407 1.00 64.31 N ATOM 1333 CA ASP A 87 22.049 13.732 6.194 1.00 41.41 C ATOM 1334 C ASP A 87 21.354 14.300 4.960 1.00 1.34 C ATOM 1335 O ASP A 87 20.125 14.329 4.886 1.00 44.23 O ATOM 1336 CB ASP A 87 21.817 12.223 6.275 1.00 25.25 C ATOM 1337 CG ASP A 87 23.098 11.430 6.100 1.00 10.33 C ATOM 1338 OD1 ASP A 87 23.513 11.222 4.941 1.00 44.21 O ATOM 1339 OD2 ASP A 87 23.685 11.019 7.123 1.00 42.05 O ATOM 0 H ASP A 87 20.598 14.179 7.641 1.00 64.31 H new ATOM 0 HA ASP A 87 23.119 13.923 6.107 1.00 41.41 H new ATOM 0 HB2 ASP A 87 21.370 11.978 7.239 1.00 25.25 H new ATOM 0 HB3 ASP A 87 21.102 11.927 5.508 1.00 25.25 H new ATOM 1344 N TYR A 88 22.148 14.752 3.996 1.00 70.32 N ATOM 1345 CA TYR A 88 21.609 15.322 2.767 1.00 43.31 C ATOM 1346 C TYR A 88 20.786 14.290 2.002 1.00 13.34 C ATOM 1347 O TYR A 88 21.174 13.127 1.892 1.00 50.34 O ATOM 1348 CB TYR A 88 22.743 15.844 1.882 1.00 31.51 C ATOM 1349 CG TYR A 88 22.262 16.620 0.677 1.00 62.10 C ATOM 1350 CD1 TYR A 88 21.719 15.968 -0.423 1.00 65.22 C ATOM 1351 CD2 TYR A 88 22.350 18.006 0.639 1.00 1.21 C ATOM 1352 CE1 TYR A 88 21.280 16.673 -1.527 1.00 11.35 C ATOM 1353 CE2 TYR A 88 21.912 18.720 -0.459 1.00 53.05 C ATOM 1354 CZ TYR A 88 21.378 18.049 -1.540 1.00 11.01 C ATOM 1355 OH TYR A 88 20.940 18.755 -2.637 1.00 12.55 O ATOM 0 H TYR A 88 23.167 14.735 4.042 1.00 70.32 H new ATOM 0 HA TYR A 88 20.956 16.152 3.038 1.00 43.31 H new ATOM 0 HB2 TYR A 88 23.394 16.483 2.479 1.00 31.51 H new ATOM 0 HB3 TYR A 88 23.346 15.001 1.544 1.00 31.51 H new ATOM 0 HD1 TYR A 88 21.639 14.891 -0.415 1.00 65.22 H new ATOM 0 HD2 TYR A 88 22.768 18.534 1.483 1.00 1.21 H new ATOM 0 HE1 TYR A 88 20.863 16.150 -2.375 1.00 11.35 H new ATOM 0 HE2 TYR A 88 21.987 19.797 -0.471 1.00 53.05 H new ATOM 0 HH TYR A 88 21.079 19.713 -2.486 1.00 12.55 H new ATOM 1365 N VAL A 89 19.645 14.725 1.476 1.00 44.44 N ATOM 1366 CA VAL A 89 18.766 13.841 0.719 1.00 4.55 C ATOM 1367 C VAL A 89 18.264 14.520 -0.550 1.00 1.32 C ATOM 1368 O VAL A 89 18.174 15.746 -0.617 1.00 4.25 O ATOM 1369 CB VAL A 89 17.557 13.396 1.563 1.00 2.34 C ATOM 1370 CG1 VAL A 89 17.954 12.280 2.517 1.00 34.41 C ATOM 1371 CG2 VAL A 89 16.976 14.578 2.325 1.00 33.30 C ATOM 0 H VAL A 89 19.308 15.684 1.560 1.00 44.44 H new ATOM 0 HA VAL A 89 19.354 12.964 0.449 1.00 4.55 H new ATOM 0 HB VAL A 89 16.789 13.012 0.892 1.00 2.34 H new ATOM 0 HG11 VAL A 89 17.087 11.978 3.105 1.00 34.41 H new ATOM 0 HG12 VAL A 89 18.320 11.427 1.946 1.00 34.41 H new ATOM 0 HG13 VAL A 89 18.740 12.634 3.184 1.00 34.41 H new ATOM 0 HG21 VAL A 89 16.123 14.246 2.916 1.00 33.30 H new ATOM 0 HG22 VAL A 89 17.736 14.993 2.987 1.00 33.30 H new ATOM 0 HG23 VAL A 89 16.653 15.343 1.619 1.00 33.30 H new ATOM 1381 N SER A 90 17.937 13.715 -1.555 1.00 70.03 N ATOM 1382 CA SER A 90 17.446 14.238 -2.825 1.00 63.10 C ATOM 1383 C SER A 90 15.944 14.496 -2.762 1.00 71.31 C ATOM 1384 O SER A 90 15.329 14.393 -1.701 1.00 23.31 O ATOM 1385 CB SER A 90 17.760 13.260 -3.959 1.00 45.30 C ATOM 1386 OG SER A 90 18.599 13.860 -4.931 1.00 63.53 O ATOM 0 H SER A 90 18.003 12.698 -1.515 1.00 70.03 H new ATOM 0 HA SER A 90 17.952 15.184 -3.020 1.00 63.10 H new ATOM 0 HB2 SER A 90 18.245 12.372 -3.554 1.00 45.30 H new ATOM 0 HB3 SER A 90 16.832 12.931 -4.428 1.00 45.30 H new ATOM 0 HG SER A 90 18.787 13.215 -5.644 1.00 63.53 H new ATOM 1392 N ALA A 91 15.359 14.832 -3.907 1.00 61.53 N ATOM 1393 CA ALA A 91 13.929 15.102 -3.984 1.00 51.31 C ATOM 1394 C ALA A 91 13.116 13.884 -3.559 1.00 51.21 C ATOM 1395 O ALA A 91 13.588 13.049 -2.788 1.00 3.12 O ATOM 1396 CB ALA A 91 13.547 15.528 -5.394 1.00 44.11 C ATOM 0 H ALA A 91 15.854 14.924 -4.794 1.00 61.53 H new ATOM 0 HA ALA A 91 13.701 15.916 -3.296 1.00 51.31 H new ATOM 0 HB1 ALA A 91 12.476 15.726 -5.437 1.00 44.11 H new ATOM 0 HB2 ALA A 91 14.094 16.432 -5.662 1.00 44.11 H new ATOM 0 HB3 ALA A 91 13.797 14.731 -6.095 1.00 44.11 H new ATOM 1402 N SER A 92 11.891 13.790 -4.066 1.00 61.55 N ATOM 1403 CA SER A 92 11.011 12.675 -3.735 1.00 55.35 C ATOM 1404 C SER A 92 11.740 11.344 -3.886 1.00 34.42 C ATOM 1405 O SER A 92 11.399 10.358 -3.231 1.00 22.22 O ATOM 1406 CB SER A 92 9.770 12.695 -4.631 1.00 21.42 C ATOM 1407 OG SER A 92 8.709 13.405 -4.017 1.00 11.14 O ATOM 0 H SER A 92 11.485 14.472 -4.707 1.00 61.55 H new ATOM 0 HA SER A 92 10.702 12.784 -2.695 1.00 55.35 H new ATOM 0 HB2 SER A 92 10.015 13.157 -5.587 1.00 21.42 H new ATOM 0 HB3 SER A 92 9.454 11.674 -4.842 1.00 21.42 H new ATOM 0 HG SER A 92 9.054 13.910 -3.251 1.00 11.14 H new ATOM 1413 N THR A 93 12.746 11.322 -4.754 1.00 71.44 N ATOM 1414 CA THR A 93 13.523 10.112 -4.993 1.00 43.21 C ATOM 1415 C THR A 93 13.938 9.457 -3.681 1.00 3.34 C ATOM 1416 O THR A 93 14.005 8.232 -3.579 1.00 63.25 O ATOM 1417 CB THR A 93 14.784 10.410 -5.826 1.00 41.12 C ATOM 1418 OG1 THR A 93 14.419 11.034 -7.062 1.00 75.33 O ATOM 1419 CG2 THR A 93 15.561 9.133 -6.107 1.00 64.00 C ATOM 0 H THR A 93 13.042 12.129 -5.304 1.00 71.44 H new ATOM 0 HA THR A 93 12.881 9.429 -5.550 1.00 43.21 H new ATOM 0 HB THR A 93 15.420 11.085 -5.253 1.00 41.12 H new ATOM 0 HG1 THR A 93 15.226 11.222 -7.585 1.00 75.33 H new ATOM 0 HG21 THR A 93 16.447 9.368 -6.697 1.00 64.00 H new ATOM 0 HG22 THR A 93 15.863 8.676 -5.165 1.00 64.00 H new ATOM 0 HG23 THR A 93 14.930 8.438 -6.662 1.00 64.00 H new ATOM 1427 N THR A 94 14.216 10.282 -2.675 1.00 70.40 N ATOM 1428 CA THR A 94 14.625 9.782 -1.368 1.00 50.43 C ATOM 1429 C THR A 94 13.506 8.984 -0.710 1.00 14.44 C ATOM 1430 O THR A 94 12.509 9.550 -0.261 1.00 41.33 O ATOM 1431 CB THR A 94 15.039 10.933 -0.432 1.00 4.11 C ATOM 1432 OG1 THR A 94 15.535 10.405 0.803 1.00 2.14 O ATOM 1433 CG2 THR A 94 13.863 11.858 -0.158 1.00 43.32 C ATOM 0 H THR A 94 14.165 11.299 -2.741 1.00 70.40 H new ATOM 0 HA THR A 94 15.483 9.130 -1.533 1.00 50.43 H new ATOM 0 HB THR A 94 15.825 11.507 -0.923 1.00 4.11 H new ATOM 0 HG1 THR A 94 15.798 11.143 1.392 1.00 2.14 H new ATOM 0 HG21 THR A 94 14.180 12.663 0.505 1.00 43.32 H new ATOM 0 HG22 THR A 94 13.506 12.281 -1.097 1.00 43.32 H new ATOM 0 HG23 THR A 94 13.059 11.294 0.315 1.00 43.32 H new ATOM 1441 N GLU A 95 13.677 7.667 -0.654 1.00 44.31 N ATOM 1442 CA GLU A 95 12.680 6.792 -0.049 1.00 51.34 C ATOM 1443 C GLU A 95 13.096 6.386 1.361 1.00 24.33 C ATOM 1444 O GLU A 95 13.123 5.200 1.696 1.00 52.52 O ATOM 1445 CB GLU A 95 12.473 5.545 -0.911 1.00 44.14 C ATOM 1446 CG GLU A 95 13.770 4.863 -1.315 1.00 34.31 C ATOM 1447 CD GLU A 95 13.792 3.391 -0.950 1.00 60.15 C ATOM 1448 OE1 GLU A 95 13.662 3.074 0.250 1.00 1.43 O ATOM 1449 OE2 GLU A 95 13.939 2.556 -1.867 1.00 63.43 O ATOM 0 H GLU A 95 14.497 7.183 -1.020 1.00 44.31 H new ATOM 0 HA GLU A 95 11.741 7.342 0.013 1.00 51.34 H new ATOM 0 HB2 GLU A 95 11.853 4.834 -0.364 1.00 44.14 H new ATOM 0 HB3 GLU A 95 11.922 5.822 -1.810 1.00 44.14 H new ATOM 0 HG2 GLU A 95 13.913 4.969 -2.390 1.00 34.31 H new ATOM 0 HG3 GLU A 95 14.607 5.366 -0.831 1.00 34.31 H new ATOM 1456 N LEU A 96 13.422 7.376 2.184 1.00 13.43 N ATOM 1457 CA LEU A 96 13.838 7.123 3.559 1.00 11.34 C ATOM 1458 C LEU A 96 12.894 6.138 4.241 1.00 22.13 C ATOM 1459 O LEU A 96 13.310 5.064 4.676 1.00 75.42 O ATOM 1460 CB LEU A 96 13.883 8.433 4.348 1.00 23.05 C ATOM 1461 CG LEU A 96 12.800 9.458 4.011 1.00 42.14 C ATOM 1462 CD1 LEU A 96 12.015 9.836 5.257 1.00 22.22 C ATOM 1463 CD2 LEU A 96 13.416 10.694 3.371 1.00 25.04 C ATOM 0 H LEU A 96 13.406 8.362 1.923 1.00 13.43 H new ATOM 0 HA LEU A 96 14.836 6.685 3.536 1.00 11.34 H new ATOM 0 HB2 LEU A 96 13.813 8.197 5.410 1.00 23.05 H new ATOM 0 HB3 LEU A 96 14.856 8.897 4.188 1.00 23.05 H new ATOM 0 HG LEU A 96 12.111 9.008 3.296 1.00 42.14 H new ATOM 0 HD11 LEU A 96 11.249 10.566 4.997 1.00 22.22 H new ATOM 0 HD12 LEU A 96 11.542 8.946 5.673 1.00 22.22 H new ATOM 0 HD13 LEU A 96 12.691 10.267 5.996 1.00 22.22 H new ATOM 0 HD21 LEU A 96 12.630 11.413 3.138 1.00 25.04 H new ATOM 0 HD22 LEU A 96 14.127 11.146 4.062 1.00 25.04 H new ATOM 0 HD23 LEU A 96 13.932 10.410 2.454 1.00 25.04 H new ATOM 1475 N VAL A 97 11.621 6.510 4.330 1.00 42.20 N ATOM 1476 CA VAL A 97 10.617 5.658 4.956 1.00 42.02 C ATOM 1477 C VAL A 97 9.465 5.374 3.999 1.00 35.54 C ATOM 1478 O VAL A 97 9.217 6.136 3.065 1.00 65.33 O ATOM 1479 CB VAL A 97 10.058 6.299 6.240 1.00 42.32 C ATOM 1480 CG1 VAL A 97 9.219 7.523 5.904 1.00 31.41 C ATOM 1481 CG2 VAL A 97 9.245 5.286 7.031 1.00 63.53 C ATOM 0 H VAL A 97 11.261 7.396 3.976 1.00 42.20 H new ATOM 0 HA VAL A 97 11.112 4.721 5.213 1.00 42.02 H new ATOM 0 HB VAL A 97 10.895 6.621 6.859 1.00 42.32 H new ATOM 0 HG11 VAL A 97 8.832 7.963 6.823 1.00 31.41 H new ATOM 0 HG12 VAL A 97 9.836 8.255 5.383 1.00 31.41 H new ATOM 0 HG13 VAL A 97 8.387 7.229 5.264 1.00 31.41 H new ATOM 0 HG21 VAL A 97 8.858 5.756 7.935 1.00 63.53 H new ATOM 0 HG22 VAL A 97 8.414 4.931 6.422 1.00 63.53 H new ATOM 0 HG23 VAL A 97 9.880 4.443 7.304 1.00 63.53 H new ATOM 1491 N ARG A 98 8.762 4.272 4.240 1.00 34.41 N ATOM 1492 CA ARG A 98 7.635 3.886 3.400 1.00 74.44 C ATOM 1493 C ARG A 98 6.394 3.614 4.245 1.00 31.41 C ATOM 1494 O ARG A 98 6.495 3.284 5.427 1.00 60.31 O ATOM 1495 CB ARG A 98 7.986 2.645 2.577 1.00 61.23 C ATOM 1496 CG ARG A 98 8.094 1.375 3.405 1.00 0.02 C ATOM 1497 CD ARG A 98 9.420 1.305 4.147 1.00 73.10 C ATOM 1498 NE ARG A 98 9.860 -0.072 4.352 1.00 32.53 N ATOM 1499 CZ ARG A 98 11.044 -0.398 4.859 1.00 13.21 C ATOM 1500 NH1 ARG A 98 11.901 0.550 5.211 1.00 42.32 N ATOM 1501 NH2 ARG A 98 11.372 -1.674 5.016 1.00 72.04 N ATOM 0 H ARG A 98 8.953 3.631 5.010 1.00 34.41 H new ATOM 0 HA ARG A 98 7.419 4.713 2.724 1.00 74.44 H new ATOM 0 HB2 ARG A 98 7.227 2.503 1.807 1.00 61.23 H new ATOM 0 HB3 ARG A 98 8.932 2.816 2.064 1.00 61.23 H new ATOM 0 HG2 ARG A 98 7.273 1.335 4.121 1.00 0.02 H new ATOM 0 HG3 ARG A 98 7.993 0.506 2.755 1.00 0.02 H new ATOM 0 HD2 ARG A 98 10.179 1.848 3.585 1.00 73.10 H new ATOM 0 HD3 ARG A 98 9.322 1.802 5.112 1.00 73.10 H new ATOM 0 HE ARG A 98 9.223 -0.825 4.092 1.00 32.53 H new ATOM 0 HH11 ARG A 98 11.652 1.532 5.093 1.00 42.32 H new ATOM 0 HH12 ARG A 98 12.809 0.297 5.600 1.00 42.32 H new ATOM 0 HH21 ARG A 98 10.715 -2.406 4.747 1.00 72.04 H new ATOM 0 HH22 ARG A 98 12.281 -1.923 5.405 1.00 72.04 H new ATOM 1515 N VAL A 99 5.223 3.755 3.632 1.00 62.05 N ATOM 1516 CA VAL A 99 3.963 3.524 4.327 1.00 53.20 C ATOM 1517 C VAL A 99 3.255 2.287 3.786 1.00 24.55 C ATOM 1518 O VAL A 99 3.196 2.070 2.576 1.00 64.24 O ATOM 1519 CB VAL A 99 3.021 4.737 4.200 1.00 63.42 C ATOM 1520 CG1 VAL A 99 1.639 4.398 4.737 1.00 1.42 C ATOM 1521 CG2 VAL A 99 3.604 5.941 4.924 1.00 52.13 C ATOM 0 H VAL A 99 5.121 4.028 2.655 1.00 62.05 H new ATOM 0 HA VAL A 99 4.206 3.370 5.378 1.00 53.20 H new ATOM 0 HB VAL A 99 2.922 4.990 3.144 1.00 63.42 H new ATOM 0 HG11 VAL A 99 0.988 5.266 4.639 1.00 1.42 H new ATOM 0 HG12 VAL A 99 1.222 3.566 4.170 1.00 1.42 H new ATOM 0 HG13 VAL A 99 1.715 4.118 5.788 1.00 1.42 H new ATOM 0 HG21 VAL A 99 2.926 6.789 4.824 1.00 52.13 H new ATOM 0 HG22 VAL A 99 3.734 5.703 5.980 1.00 52.13 H new ATOM 0 HG23 VAL A 99 4.570 6.195 4.488 1.00 52.13 H new ATOM 1531 N THR A 100 2.718 1.475 4.693 1.00 41.54 N ATOM 1532 CA THR A 100 2.015 0.258 4.308 1.00 52.43 C ATOM 1533 C THR A 100 0.575 0.273 4.809 1.00 4.24 C ATOM 1534 O THR A 100 0.192 1.136 5.598 1.00 51.34 O ATOM 1535 CB THR A 100 2.723 -0.996 4.852 1.00 25.13 C ATOM 1536 OG1 THR A 100 2.053 -2.175 4.394 1.00 35.44 O ATOM 1537 CG2 THR A 100 2.755 -0.983 6.373 1.00 11.42 C ATOM 0 H THR A 100 2.757 1.639 5.699 1.00 41.54 H new ATOM 0 HA THR A 100 2.017 0.223 3.219 1.00 52.43 H new ATOM 0 HB THR A 100 3.749 -0.995 4.483 1.00 25.13 H new ATOM 0 HG1 THR A 100 1.936 -2.128 3.422 1.00 35.44 H new ATOM 0 HG21 THR A 100 3.260 -1.879 6.734 1.00 11.42 H new ATOM 0 HG22 THR A 100 3.292 -0.100 6.718 1.00 11.42 H new ATOM 0 HG23 THR A 100 1.736 -0.961 6.758 1.00 11.42 H new ATOM 1545 N ASN A 101 -0.217 -0.689 4.348 1.00 52.44 N ATOM 1546 CA ASN A 101 -1.616 -0.786 4.750 1.00 5.23 C ATOM 1547 C ASN A 101 -2.431 0.364 4.167 1.00 41.12 C ATOM 1548 O ASN A 101 -1.875 1.353 3.687 1.00 50.02 O ATOM 1549 CB ASN A 101 -1.730 -0.784 6.276 1.00 23.11 C ATOM 1550 CG ASN A 101 -2.575 -1.931 6.794 1.00 75.41 C ATOM 1551 OD1 ASN A 101 -3.391 -2.495 6.064 1.00 63.13 O ATOM 1552 ND2 ASN A 101 -2.385 -2.282 8.060 1.00 24.33 N ATOM 0 H ASN A 101 0.086 -1.413 3.696 1.00 52.44 H new ATOM 0 HA ASN A 101 -2.015 -1.723 4.363 1.00 5.23 H new ATOM 0 HB2 ASN A 101 -0.733 -0.845 6.712 1.00 23.11 H new ATOM 0 HB3 ASN A 101 -2.164 0.161 6.604 1.00 23.11 H new ATOM 0 HD21 ASN A 101 -2.926 -3.047 8.464 1.00 24.33 H new ATOM 0 HD22 ASN A 101 -1.698 -1.787 8.629 1.00 24.33 H new ATOM 1559 N LEU A 102 -3.752 0.228 4.212 1.00 45.10 N ATOM 1560 CA LEU A 102 -4.645 1.256 3.689 1.00 61.24 C ATOM 1561 C LEU A 102 -4.469 1.414 2.182 1.00 51.22 C ATOM 1562 O LEU A 102 -3.490 0.940 1.608 1.00 23.11 O ATOM 1563 CB LEU A 102 -4.383 2.591 4.387 1.00 1.23 C ATOM 1564 CG LEU A 102 -5.556 3.180 5.171 1.00 12.13 C ATOM 1565 CD1 LEU A 102 -5.338 3.010 6.667 1.00 40.13 C ATOM 1566 CD2 LEU A 102 -5.747 4.649 4.822 1.00 75.21 C ATOM 0 H LEU A 102 -4.228 -0.584 4.605 1.00 45.10 H new ATOM 0 HA LEU A 102 -5.671 0.946 3.886 1.00 61.24 H new ATOM 0 HB2 LEU A 102 -3.543 2.462 5.070 1.00 1.23 H new ATOM 0 HB3 LEU A 102 -4.074 3.317 3.635 1.00 1.23 H new ATOM 0 HG LEU A 102 -6.461 2.640 4.893 1.00 12.13 H new ATOM 0 HD11 LEU A 102 -6.183 3.435 7.208 1.00 40.13 H new ATOM 0 HD12 LEU A 102 -5.252 1.950 6.904 1.00 40.13 H new ATOM 0 HD13 LEU A 102 -4.423 3.523 6.962 1.00 40.13 H new ATOM 0 HD21 LEU A 102 -6.586 5.052 5.389 1.00 75.21 H new ATOM 0 HD22 LEU A 102 -4.842 5.203 5.071 1.00 75.21 H new ATOM 0 HD23 LEU A 102 -5.950 4.746 3.756 1.00 75.21 H new ATOM 1578 N ASN A 103 -5.424 2.086 1.547 1.00 11.32 N ATOM 1579 CA ASN A 103 -5.374 2.309 0.107 1.00 41.13 C ATOM 1580 C ASN A 103 -4.601 3.583 -0.220 1.00 43.01 C ATOM 1581 O ASN A 103 -4.475 4.491 0.602 1.00 32.10 O ATOM 1582 CB ASN A 103 -6.790 2.397 -0.466 1.00 42.33 C ATOM 1583 CG ASN A 103 -7.403 1.031 -0.704 1.00 54.03 C ATOM 1584 OD1 ASN A 103 -7.505 0.573 -1.843 1.00 5.53 O ATOM 1585 ND2 ASN A 103 -7.817 0.373 0.372 1.00 22.34 N ATOM 0 H ASN A 103 -6.242 2.486 2.007 1.00 11.32 H new ATOM 0 HA ASN A 103 -4.857 1.465 -0.348 1.00 41.13 H new ATOM 0 HB2 ASN A 103 -7.422 2.961 0.220 1.00 42.33 H new ATOM 0 HB3 ASN A 103 -6.765 2.950 -1.405 1.00 42.33 H new ATOM 0 HD21 ASN A 103 -8.239 -0.550 0.274 1.00 22.34 H new ATOM 0 HD22 ASN A 103 -7.713 0.791 1.297 1.00 22.34 H new ATOM 1592 N PRO A 104 -4.070 3.654 -1.450 1.00 23.12 N ATOM 1593 CA PRO A 104 -3.301 4.812 -1.914 1.00 44.14 C ATOM 1594 C PRO A 104 -4.174 6.046 -2.114 1.00 74.22 C ATOM 1595 O PRO A 104 -4.800 6.212 -3.162 1.00 21.42 O ATOM 1596 CB PRO A 104 -2.725 4.342 -3.253 1.00 12.03 C ATOM 1597 CG PRO A 104 -3.668 3.288 -3.722 1.00 13.55 C ATOM 1598 CD PRO A 104 -4.180 2.609 -2.481 1.00 63.14 C ATOM 0 HA PRO A 104 -2.544 5.114 -1.191 1.00 44.14 H new ATOM 0 HB2 PRO A 104 -2.662 5.163 -3.967 1.00 12.03 H new ATOM 0 HB3 PRO A 104 -1.717 3.946 -3.133 1.00 12.03 H new ATOM 0 HG2 PRO A 104 -4.487 3.724 -4.295 1.00 13.55 H new ATOM 0 HG3 PRO A 104 -3.164 2.577 -4.377 1.00 13.55 H new ATOM 0 HD2 PRO A 104 -5.209 2.272 -2.603 1.00 63.14 H new ATOM 0 HD3 PRO A 104 -3.585 1.731 -2.229 1.00 63.14 H new ATOM 1606 N ILE A 105 -4.212 6.908 -1.104 1.00 52.10 N ATOM 1607 CA ILE A 105 -5.008 8.127 -1.170 1.00 53.35 C ATOM 1608 C ILE A 105 -4.201 9.280 -1.758 1.00 22.22 C ATOM 1609 O ILE A 105 -2.977 9.322 -1.630 1.00 41.43 O ATOM 1610 CB ILE A 105 -5.529 8.536 0.220 1.00 1.21 C ATOM 1611 CG1 ILE A 105 -6.142 7.330 0.934 1.00 32.11 C ATOM 1612 CG2 ILE A 105 -6.548 9.659 0.095 1.00 2.00 C ATOM 1613 CD1 ILE A 105 -7.275 6.685 0.167 1.00 53.42 C ATOM 0 H ILE A 105 -3.701 6.785 -0.230 1.00 52.10 H new ATOM 0 HA ILE A 105 -5.858 7.914 -1.819 1.00 53.35 H new ATOM 0 HB ILE A 105 -4.690 8.898 0.814 1.00 1.21 H new ATOM 0 HG12 ILE A 105 -5.364 6.587 1.109 1.00 32.11 H new ATOM 0 HG13 ILE A 105 -6.508 7.644 1.911 1.00 32.11 H new ATOM 0 HG21 ILE A 105 -6.907 9.937 1.086 1.00 2.00 H new ATOM 0 HG22 ILE A 105 -6.081 10.523 -0.377 1.00 2.00 H new ATOM 0 HG23 ILE A 105 -7.387 9.323 -0.514 1.00 2.00 H new ATOM 0 HD11 ILE A 105 -7.661 5.837 0.733 1.00 53.42 H new ATOM 0 HD12 ILE A 105 -8.072 7.413 0.015 1.00 53.42 H new ATOM 0 HD13 ILE A 105 -6.909 6.340 -0.800 1.00 53.42 H new ATOM 1625 N TYR A 106 -4.894 10.213 -2.400 1.00 1.41 N ATOM 1626 CA TYR A 106 -4.242 11.367 -3.008 1.00 5.13 C ATOM 1627 C TYR A 106 -5.241 12.494 -3.248 1.00 51.30 C ATOM 1628 O TYR A 106 -6.307 12.281 -3.825 1.00 42.33 O ATOM 1629 CB TYR A 106 -3.579 10.968 -4.327 1.00 41.14 C ATOM 1630 CG TYR A 106 -4.425 10.045 -5.175 1.00 22.11 C ATOM 1631 CD1 TYR A 106 -4.376 8.668 -4.997 1.00 34.42 C ATOM 1632 CD2 TYR A 106 -5.271 10.549 -6.154 1.00 55.41 C ATOM 1633 CE1 TYR A 106 -5.147 7.820 -5.769 1.00 41.12 C ATOM 1634 CE2 TYR A 106 -6.047 9.709 -6.930 1.00 4.50 C ATOM 1635 CZ TYR A 106 -5.981 8.346 -6.734 1.00 63.20 C ATOM 1636 OH TYR A 106 -6.750 7.506 -7.506 1.00 32.31 O ATOM 0 H TYR A 106 -5.908 10.193 -2.513 1.00 1.41 H new ATOM 0 HA TYR A 106 -3.477 11.725 -2.319 1.00 5.13 H new ATOM 0 HB2 TYR A 106 -3.355 11.869 -4.898 1.00 41.14 H new ATOM 0 HB3 TYR A 106 -2.628 10.481 -4.113 1.00 41.14 H new ATOM 0 HD1 TYR A 106 -3.724 8.253 -4.242 1.00 34.42 H new ATOM 0 HD2 TYR A 106 -5.323 11.616 -6.312 1.00 55.41 H new ATOM 0 HE1 TYR A 106 -5.097 6.752 -5.618 1.00 41.12 H new ATOM 0 HE2 TYR A 106 -6.701 10.118 -7.686 1.00 4.50 H new ATOM 0 HH TYR A 106 -7.281 8.036 -8.136 1.00 32.31 H new ATOM 1646 N ALA A 107 -4.888 13.695 -2.801 1.00 23.11 N ATOM 1647 CA ALA A 107 -5.751 14.857 -2.969 1.00 12.21 C ATOM 1648 C ALA A 107 -5.063 16.127 -2.481 1.00 0.41 C ATOM 1649 O ALA A 107 -5.407 16.666 -1.429 1.00 13.32 O ATOM 1650 CB ALA A 107 -7.065 14.650 -2.231 1.00 33.44 C ATOM 0 H ALA A 107 -4.010 13.888 -2.320 1.00 23.11 H new ATOM 0 HA ALA A 107 -5.959 14.973 -4.033 1.00 12.21 H new ATOM 0 HB1 ALA A 107 -7.700 15.526 -2.365 1.00 33.44 H new ATOM 0 HB2 ALA A 107 -7.571 13.771 -2.629 1.00 33.44 H new ATOM 0 HB3 ALA A 107 -6.867 14.505 -1.169 1.00 33.44 H new ATOM 1656 N ASP A 108 -4.089 16.600 -3.251 1.00 12.22 N ATOM 1657 CA ASP A 108 -3.352 17.808 -2.897 1.00 35.12 C ATOM 1658 C ASP A 108 -3.672 18.943 -3.865 1.00 63.30 C ATOM 1659 O ASP A 108 -4.591 18.840 -4.677 1.00 24.24 O ATOM 1660 CB ASP A 108 -1.848 17.531 -2.894 1.00 53.11 C ATOM 1661 CG ASP A 108 -1.264 17.494 -4.293 1.00 1.34 C ATOM 1662 OD1 ASP A 108 -1.573 16.543 -5.040 1.00 73.24 O ATOM 1663 OD2 ASP A 108 -0.498 18.417 -4.640 1.00 0.35 O ATOM 0 H ASP A 108 -3.791 16.165 -4.124 1.00 12.22 H new ATOM 0 HA ASP A 108 -3.659 18.111 -1.896 1.00 35.12 H new ATOM 0 HB2 ASP A 108 -1.341 18.300 -2.312 1.00 53.11 H new ATOM 0 HB3 ASP A 108 -1.658 16.579 -2.399 1.00 53.11 H new ATOM 1668 N GLY A 109 -2.906 20.026 -3.772 1.00 54.14 N ATOM 1669 CA GLY A 109 -3.124 21.165 -4.645 1.00 14.12 C ATOM 1670 C GLY A 109 -2.130 22.282 -4.399 1.00 44.24 C ATOM 1671 O GLY A 109 -2.517 23.429 -4.178 1.00 5.54 O ATOM 0 H GLY A 109 -2.139 20.135 -3.108 1.00 54.14 H new ATOM 0 HA2 GLY A 109 -3.053 20.842 -5.684 1.00 14.12 H new ATOM 0 HA3 GLY A 109 -4.135 21.544 -4.497 1.00 14.12 H new ATOM 1675 N SER A 110 -0.844 21.947 -4.437 1.00 60.44 N ATOM 1676 CA SER A 110 0.209 22.929 -4.212 1.00 5.33 C ATOM 1677 C SER A 110 0.718 23.494 -5.535 1.00 21.13 C ATOM 1678 O SER A 110 0.592 24.689 -5.802 1.00 44.41 O ATOM 1679 CB SER A 110 1.367 22.298 -3.435 1.00 13.41 C ATOM 1680 OG SER A 110 0.896 21.322 -2.522 1.00 71.35 O ATOM 0 H SER A 110 -0.507 21.002 -4.622 1.00 60.44 H new ATOM 0 HA SER A 110 -0.211 23.746 -3.625 1.00 5.33 H new ATOM 0 HB2 SER A 110 2.070 21.840 -4.131 1.00 13.41 H new ATOM 0 HB3 SER A 110 1.912 23.073 -2.895 1.00 13.41 H new ATOM 0 HG SER A 110 0.968 21.668 -1.608 1.00 71.35 H new ATOM 1686 N HIS A 111 1.293 22.625 -6.360 1.00 25.23 N ATOM 1687 CA HIS A 111 1.821 23.035 -7.656 1.00 3.41 C ATOM 1688 C HIS A 111 2.229 21.822 -8.486 1.00 21.33 C ATOM 1689 O HIS A 111 2.011 20.679 -8.082 1.00 22.04 O ATOM 1690 CB HIS A 111 3.020 23.967 -7.470 1.00 74.25 C ATOM 1691 CG HIS A 111 2.810 25.334 -8.044 1.00 54.30 C ATOM 1692 ND1 HIS A 111 2.222 25.553 -9.272 1.00 50.30 N ATOM 1693 CD2 HIS A 111 3.111 26.558 -7.549 1.00 62.34 C ATOM 1694 CE1 HIS A 111 2.173 26.852 -9.509 1.00 12.02 C ATOM 1695 NE2 HIS A 111 2.706 27.484 -8.479 1.00 34.14 N ATOM 0 H HIS A 111 1.405 21.632 -6.154 1.00 25.23 H new ATOM 0 HA HIS A 111 1.034 23.569 -8.189 1.00 3.41 H new ATOM 0 HB2 HIS A 111 3.237 24.058 -6.406 1.00 74.25 H new ATOM 0 HB3 HIS A 111 3.896 23.516 -7.937 1.00 74.25 H new ATOM 0 HD2 HIS A 111 3.582 26.767 -6.600 1.00 62.34 H new ATOM 0 HE1 HIS A 111 1.766 27.318 -10.394 1.00 12.02 H new ATOM 0 HE2 HIS A 111 2.801 28.496 -8.389 1.00 34.14 H new ATOM 1703 N HIS A 112 2.821 22.077 -9.648 1.00 41.31 N ATOM 1704 CA HIS A 112 3.259 21.005 -10.535 1.00 1.30 C ATOM 1705 C HIS A 112 2.089 20.103 -10.916 1.00 22.04 C ATOM 1706 O HIS A 112 2.068 18.920 -10.574 1.00 75.02 O ATOM 1707 CB HIS A 112 4.359 20.179 -9.867 1.00 51.50 C ATOM 1708 CG HIS A 112 5.735 20.733 -10.077 1.00 73.11 C ATOM 1709 ND1 HIS A 112 6.434 20.583 -11.256 1.00 2.21 N ATOM 1710 CD2 HIS A 112 6.540 21.441 -9.251 1.00 31.43 C ATOM 1711 CE1 HIS A 112 7.611 21.173 -11.145 1.00 11.40 C ATOM 1712 NE2 HIS A 112 7.700 21.702 -9.938 1.00 31.12 N ATOM 0 H HIS A 112 3.009 23.017 -9.998 1.00 41.31 H new ATOM 0 HA HIS A 112 3.656 21.458 -11.443 1.00 1.30 H new ATOM 0 HB2 HIS A 112 4.159 20.121 -8.797 1.00 51.50 H new ATOM 0 HB3 HIS A 112 4.323 19.161 -10.254 1.00 51.50 H new ATOM 0 HD2 HIS A 112 6.312 21.744 -8.240 1.00 31.43 H new ATOM 0 HE1 HIS A 112 8.371 21.215 -11.911 1.00 11.40 H new ATOM 0 HE2 HIS A 112 8.500 22.220 -9.575 1.00 31.12 H new ATOM 1720 N HIS A 113 1.117 20.669 -11.624 1.00 43.30 N ATOM 1721 CA HIS A 113 -0.056 19.916 -12.051 1.00 34.32 C ATOM 1722 C HIS A 113 -0.271 20.050 -13.555 1.00 42.24 C ATOM 1723 O HIS A 113 -0.065 21.120 -14.129 1.00 13.51 O ATOM 1724 CB HIS A 113 -1.299 20.398 -11.302 1.00 3.53 C ATOM 1725 CG HIS A 113 -1.487 21.884 -11.348 1.00 60.45 C ATOM 1726 ND1 HIS A 113 -2.146 22.527 -12.375 1.00 32.33 N ATOM 1727 CD2 HIS A 113 -1.099 22.853 -10.487 1.00 34.34 C ATOM 1728 CE1 HIS A 113 -2.154 23.827 -12.143 1.00 55.30 C ATOM 1729 NE2 HIS A 113 -1.526 24.051 -11.003 1.00 40.41 N ATOM 0 H HIS A 113 1.119 21.647 -11.914 1.00 43.30 H new ATOM 0 HA HIS A 113 0.115 18.865 -11.818 1.00 34.32 H new ATOM 0 HB2 HIS A 113 -2.179 19.915 -11.727 1.00 3.53 H new ATOM 0 HB3 HIS A 113 -1.232 20.080 -10.261 1.00 3.53 H new ATOM 0 HD2 HIS A 113 -0.555 22.710 -9.565 1.00 34.34 H new ATOM 0 HE1 HIS A 113 -2.599 24.579 -12.778 1.00 55.30 H new ATOM 0 HE2 HIS A 113 -1.382 24.966 -10.575 1.00 40.41 H new ATOM 1737 N HIS A 114 -0.684 18.958 -14.189 1.00 72.55 N ATOM 1738 CA HIS A 114 -0.926 18.954 -15.628 1.00 32.21 C ATOM 1739 C HIS A 114 -2.324 18.428 -15.942 1.00 44.13 C ATOM 1740 O HIS A 114 -2.559 17.862 -17.010 1.00 72.22 O ATOM 1741 CB HIS A 114 0.124 18.102 -16.341 1.00 23.21 C ATOM 1742 CG HIS A 114 0.423 18.562 -17.735 1.00 21.45 C ATOM 1743 ND1 HIS A 114 -0.456 18.401 -18.785 1.00 22.02 N ATOM 1744 CD2 HIS A 114 1.511 19.182 -18.248 1.00 0.21 C ATOM 1745 CE1 HIS A 114 0.079 18.901 -19.884 1.00 43.22 C ATOM 1746 NE2 HIS A 114 1.273 19.382 -19.585 1.00 54.04 N ATOM 0 H HIS A 114 -0.858 18.064 -13.730 1.00 72.55 H new ATOM 0 HA HIS A 114 -0.854 19.981 -15.987 1.00 32.21 H new ATOM 0 HB2 HIS A 114 1.045 18.113 -15.758 1.00 23.21 H new ATOM 0 HB3 HIS A 114 -0.220 17.068 -16.374 1.00 23.21 H new ATOM 0 HD1 HIS A 114 -1.376 17.964 -18.723 1.00 22.02 H new ATOM 0 HD2 HIS A 114 2.401 19.467 -17.706 1.00 0.21 H new ATOM 0 HE1 HIS A 114 -0.381 18.915 -20.861 1.00 43.22 H new ATOM 1754 N HIS A 115 -3.247 18.619 -15.005 1.00 71.44 N ATOM 1755 CA HIS A 115 -4.621 18.163 -15.183 1.00 14.42 C ATOM 1756 C HIS A 115 -5.574 19.348 -15.313 1.00 44.33 C ATOM 1757 O HIS A 115 -6.187 19.775 -14.335 1.00 15.32 O ATOM 1758 CB HIS A 115 -5.044 17.281 -14.008 1.00 14.21 C ATOM 1759 CG HIS A 115 -6.453 16.782 -14.110 1.00 41.31 C ATOM 1760 ND1 HIS A 115 -6.864 15.879 -15.068 1.00 2.14 N ATOM 1761 CD2 HIS A 115 -7.548 17.064 -13.366 1.00 52.45 C ATOM 1762 CE1 HIS A 115 -8.151 15.629 -14.910 1.00 32.44 C ATOM 1763 NE2 HIS A 115 -8.590 16.335 -13.884 1.00 34.04 N ATOM 0 H HIS A 115 -3.069 19.086 -14.116 1.00 71.44 H new ATOM 0 HA HIS A 115 -4.668 17.579 -16.102 1.00 14.42 H new ATOM 0 HB2 HIS A 115 -4.369 16.428 -13.943 1.00 14.21 H new ATOM 0 HB3 HIS A 115 -4.933 17.846 -13.082 1.00 14.21 H new ATOM 0 HD2 HIS A 115 -7.594 17.737 -12.522 1.00 52.45 H new ATOM 0 HE1 HIS A 115 -8.744 14.961 -15.517 1.00 32.44 H new ATOM 0 HE2 HIS A 115 -9.548 16.338 -13.533 1.00 34.04 H new ATOM 1771 N HIS A 116 -5.691 19.876 -16.528 1.00 34.23 N ATOM 1772 CA HIS A 116 -6.569 21.012 -16.786 1.00 21.01 C ATOM 1773 C HIS A 116 -7.394 20.785 -18.049 1.00 44.34 C ATOM 1774 O HIS A 116 -6.832 20.794 -19.144 1.00 34.41 O ATOM 1775 CB HIS A 116 -5.750 22.296 -16.921 1.00 64.21 C ATOM 1776 CG HIS A 116 -5.966 23.265 -15.800 1.00 51.32 C ATOM 1777 ND1 HIS A 116 -6.975 24.206 -15.803 1.00 24.33 N ATOM 1778 CD2 HIS A 116 -5.298 23.436 -14.635 1.00 61.45 C ATOM 1779 CE1 HIS A 116 -6.916 24.914 -14.689 1.00 33.41 C ATOM 1780 NE2 HIS A 116 -5.908 24.466 -13.963 1.00 23.10 N ATOM 0 H HIS A 116 -5.189 19.536 -17.348 1.00 34.23 H new ATOM 0 HA HIS A 116 -7.251 21.112 -15.941 1.00 21.01 H new ATOM 0 HB2 HIS A 116 -4.692 22.039 -16.969 1.00 64.21 H new ATOM 0 HB3 HIS A 116 -6.003 22.781 -17.864 1.00 64.21 H new ATOM 0 HD2 HIS A 116 -4.444 22.868 -14.297 1.00 61.45 H new ATOM 0 HE1 HIS A 116 -7.580 25.722 -14.418 1.00 33.41 H new ATOM 0 HE2 HIS A 116 -5.628 24.827 -13.051 1.00 23.10 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 8.854 31.923 3.105 1.00 62.25 C HETATM 1790 N2 B6D A 117 6.814 32.778 2.029 1.00 54.01 N HETATM 1791 C3 B6D A 117 8.657 34.376 2.567 1.00 1.25 C HETATM 1792 C4 B6D A 117 9.757 34.676 3.603 1.00 5.02 C HETATM 1793 C5 B6D A 117 10.701 33.467 3.771 1.00 55.31 C HETATM 1794 C6 B6D A 117 11.704 33.619 4.913 1.00 33.31 C HETATM 1795 C7 B6D A 117 7.007 32.560 0.685 1.00 71.05 C HETATM 1796 C8 B6D A 117 5.773 32.046 -0.097 1.00 71.14 C HETATM 1797 C9 B6D A 117 12.072 37.767 3.435 1.00 24.53 C HETATM 1798 C2 B6D A 117 7.878 33.109 2.988 1.00 22.44 C HETATM 1799 O7 B6D A 117 8.071 32.725 0.117 1.00 22.13 O HETATM 1800 N4 B6D A 117 10.529 35.863 3.210 1.00 72.00 N HETATM 1801 C10 B6D A 117 11.232 36.651 4.086 1.00 24.53 C HETATM 1802 O10 B6D A 117 11.232 36.491 5.295 1.00 14.11 O HETATM 1803 O5 B6D A 117 9.900 32.261 4.091 1.00 51.24 O HETATM 1804 O3 B6D A 117 7.736 35.526 2.517 1.00 1.43 O HETATM 0 HN4 B6D A 117 10.543 36.118 2.222 1.00 72.00 H new HETATM 0 HN2 B6D A 117 5.862 32.705 2.387 1.00 54.01 H new HETATM 0 H9B B6D A 117 12.804 37.324 2.760 1.00 24.53 H new HETATM 0 H9A B6D A 117 11.418 38.434 2.874 1.00 24.53 H new HETATM 0 H9 B6D A 117 12.589 38.333 4.210 1.00 24.53 H new HETATM 0 H8B B6D A 117 5.447 31.094 0.322 1.00 71.14 H new HETATM 0 H8A B6D A 117 4.964 32.773 -0.019 1.00 71.14 H new HETATM 0 H8 B6D A 117 6.038 31.909 -1.145 1.00 71.14 H new HETATM 0 H6B B6D A 117 12.329 34.494 4.734 1.00 33.31 H new HETATM 0 H6A B6D A 117 11.168 33.743 5.854 1.00 33.31 H new HETATM 0 H6 B6D A 117 12.331 32.729 4.967 1.00 33.31 H new HETATM 0 H5 B6D A 117 11.246 33.390 2.830 1.00 55.31 H new HETATM 0 H4 B6D A 117 9.271 34.872 4.559 1.00 5.02 H new HETATM 0 H3 B6D A 117 9.103 34.209 1.587 1.00 1.25 H new HETATM 0 H2 B6D A 117 7.408 33.308 3.951 1.00 22.44 H new HETATM 1821 C1 A2G A 118 7.927 36.446 1.366 1.00 61.52 C HETATM 1822 C2 A2G A 118 7.293 37.806 1.694 1.00 4.31 C HETATM 1823 C3 A2G A 118 5.793 37.586 1.967 1.00 2.23 C HETATM 1824 C4 A2G A 118 5.077 36.991 0.678 1.00 72.12 C HETATM 1825 C5 A2G A 118 5.809 35.751 0.209 1.00 11.10 C HETATM 1826 C6 A2G A 118 5.293 35.085 -1.075 1.00 3.54 C HETATM 1827 C7 A2G A 118 8.892 39.488 2.627 1.00 14.03 C HETATM 1828 C8 A2G A 118 9.508 40.063 3.916 1.00 1.13 C HETATM 1829 O A2G A 118 7.284 35.942 0.129 1.00 23.23 O HETATM 1830 O3 A2G A 118 5.168 38.797 2.406 1.00 4.11 O HETATM 1831 O4 A2G A 118 5.143 37.999 -0.396 1.00 61.21 O HETATM 1832 O6 A2G A 118 6.343 34.366 -1.729 1.00 63.21 O HETATM 1833 O7 A2G A 118 9.183 39.950 1.537 1.00 65.14 O HETATM 1834 N2 A2G A 118 7.996 38.461 2.806 1.00 42.11 N HETATM 0 HO3 A2G A 118 4.216 38.633 2.572 1.00 4.11 H new HETATM 0 HN2 A2G A 118 7.810 38.138 3.756 1.00 42.11 H new HETATM 0 H8B A2G A 118 8.716 40.454 4.555 1.00 1.13 H new HETATM 0 H8A A2G A 118 10.045 39.276 4.445 1.00 1.13 H new HETATM 0 H8 A2G A 118 10.200 40.866 3.662 1.00 1.13 H new HETATM 0 H6 A2G A 118 4.891 35.843 -1.747 1.00 3.54 H new HETATM 0 H5 A2G A 118 5.574 35.046 1.006 1.00 11.10 H new HETATM 0 H4 A2G A 118 4.044 36.739 0.918 1.00 72.12 H new HETATM 0 H3 A2G A 118 5.690 36.859 2.773 1.00 2.23 H new HETATM 0 H2 A2G A 118 7.390 38.489 0.850 1.00 4.31 H new HETATM 0 H15 A2G A 118 7.204 34.608 -1.328 1.00 63.21 H new HETATM 0 H14 A2G A 118 4.475 34.406 -0.835 1.00 3.54 H new HETATM 1848 C1 A2G A 119 3.913 38.135 -1.219 1.00 24.12 C HETATM 1849 C2 A2G A 119 4.293 38.659 -2.613 1.00 15.05 C HETATM 1850 C3 A2G A 119 4.983 40.026 -2.442 1.00 62.32 C HETATM 1851 C4 A2G A 119 3.991 41.067 -1.761 1.00 65.53 C HETATM 1852 C5 A2G A 119 3.441 40.487 -0.475 1.00 61.24 C HETATM 1853 C6 A2G A 119 2.406 41.333 0.279 1.00 73.31 C HETATM 1854 C7 A2G A 119 4.990 37.452 -4.689 1.00 5.53 C HETATM 1855 C8 A2G A 119 5.907 36.356 -5.263 1.00 20.22 C HETATM 1856 O A2G A 119 2.945 39.091 -0.632 1.00 20.21 O HETATM 1857 O3 A2G A 119 5.478 40.510 -3.695 1.00 52.42 O HETATM 1858 O4 A2G A 119 2.863 41.301 -2.681 1.00 3.51 O HETATM 1859 O6 A2G A 119 2.354 40.958 1.659 1.00 2.15 O HETATM 1860 O7 A2G A 119 4.232 38.074 -5.414 1.00 42.33 O HETATM 1861 N2 A2G A 119 5.113 37.680 -3.339 1.00 52.31 N HETATM 0 HO3 A2G A 119 5.910 41.379 -3.562 1.00 52.42 H new HETATM 0 HN2 A2G A 119 5.806 37.144 -2.817 1.00 52.31 H new HETATM 0 H8B A2G A 119 6.949 36.626 -5.091 1.00 20.22 H new HETATM 0 H8A A2G A 119 5.692 35.407 -4.771 1.00 20.22 H new HETATM 0 H8 A2G A 119 5.730 36.257 -6.334 1.00 20.22 H new HETATM 0 H6 A2G A 119 1.424 41.204 -0.175 1.00 73.31 H new HETATM 0 H5 A2G A 119 4.326 40.491 0.162 1.00 61.24 H new HETATM 0 H4 A2G A 119 4.524 41.994 -1.547 1.00 65.53 H new HETATM 0 H3 A2G A 119 5.841 39.902 -1.782 1.00 62.32 H new HETATM 0 H2 A2G A 119 3.403 38.800 -3.227 1.00 15.05 H new HETATM 0 H15 A2G A 119 1.690 41.509 2.123 1.00 2.15 H new HETATM 0 H14 A2G A 119 2.661 42.389 0.194 1.00 73.31 H new HETATM 1875 C1 A2G A 120 2.494 42.726 -2.885 1.00 43.13 C HETATM 1876 C2 A2G A 120 1.005 42.815 -3.251 1.00 15.31 C HETATM 1877 C3 A2G A 120 0.776 42.007 -4.542 1.00 73.33 C HETATM 1878 C4 A2G A 120 1.629 42.618 -5.737 1.00 51.44 C HETATM 1879 C5 A2G A 120 3.082 42.731 -5.327 1.00 30.11 C HETATM 1880 C6 A2G A 120 4.041 43.373 -6.340 1.00 34.23 C HETATM 1881 C7 A2G A 120 -0.003 43.107 -0.981 1.00 33.30 C HETATM 1882 C8 A2G A 120 -0.952 42.494 0.067 1.00 64.13 C HETATM 1883 O A2G A 120 3.261 43.355 -3.986 1.00 43.02 O HETATM 1884 O3 A2G A 120 -0.617 41.942 -4.867 1.00 40.24 O HETATM 1885 O4 A2G A 120 1.124 43.974 -6.021 1.00 11.21 O HETATM 1886 O6 A2G A 120 5.389 42.963 -6.091 1.00 62.52 O HETATM 1887 O7 A2G A 120 0.536 44.182 -0.780 1.00 51.44 O HETATM 1888 N2 A2G A 120 0.159 42.375 -2.133 1.00 24.04 N HETATM 0 HN2 A2G A 120 -0.331 41.484 -2.216 1.00 24.04 H new HETATM 0 H8B A2G A 120 -1.946 42.378 -0.366 1.00 64.13 H new HETATM 0 H8A A2G A 120 -0.574 41.519 0.374 1.00 64.13 H new HETATM 0 H8 A2G A 120 -1.008 43.151 0.935 1.00 64.13 H new HETATM 0 H6 A2G A 120 3.969 44.459 -6.279 1.00 34.23 H new HETATM 0 H5 A2G A 120 3.378 41.683 -5.285 1.00 30.11 H new HETATM 0 H4 A2G A 120 1.544 41.974 -6.612 1.00 51.44 H new HETATM 0 H3 A2G A 120 1.117 40.985 -4.376 1.00 73.33 H new HETATM 0 H2 A2G A 120 0.718 43.849 -3.440 1.00 15.31 H new HETATM 0 H15 A2G A 120 5.985 43.381 -6.747 1.00 62.52 H new HETATM 0 H14 A2G A 120 3.751 43.091 -7.352 1.00 34.23 H new HETATM 1901 C1 A2G A 121 1.183 44.391 -7.446 1.00 30.13 C HETATM 1902 C2 A2G A 121 1.305 45.921 -7.521 1.00 34.22 C HETATM 1903 C3 A2G A 121 0.074 46.537 -6.828 1.00 21.12 C HETATM 1904 C4 A2G A 121 -1.260 46.097 -7.574 1.00 31.21 C HETATM 1905 C5 A2G A 121 -1.308 44.588 -7.694 1.00 53.23 C HETATM 1906 C6 A2G A 121 -2.499 43.991 -8.457 1.00 54.51 C HETATM 1907 C7 A2G A 121 3.535 47.040 -7.686 1.00 15.30 C HETATM 1908 C8 A2G A 121 4.798 47.457 -6.910 1.00 21.52 C HETATM 1909 O A2G A 121 -0.034 44.004 -8.198 1.00 22.44 O HETATM 1910 O3 A2G A 121 0.189 47.962 -6.749 1.00 62.41 O HETATM 1911 O4 A2G A 121 -1.241 46.667 -8.933 1.00 44.23 O HETATM 1912 O6 A2G A 121 -2.110 43.598 -9.777 1.00 60.01 O HETATM 1913 O7 A2G A 121 3.410 47.315 -8.868 1.00 63.41 O HETATM 1914 N2 A2G A 121 2.580 46.377 -6.953 1.00 3.25 N HETATM 0 HO3 A2G A 121 -0.604 48.330 -6.307 1.00 62.41 H new HETATM 0 HN2 A2G A 121 2.766 46.193 -5.967 1.00 3.25 H new HETATM 0 H8B A2G A 121 4.520 48.124 -6.094 1.00 21.52 H new HETATM 0 H8A A2G A 121 5.285 46.570 -6.504 1.00 21.52 H new HETATM 0 H8 A2G A 121 5.485 47.972 -7.582 1.00 21.52 H new HETATM 0 H6 A2G A 121 -3.305 44.723 -8.513 1.00 54.51 H new HETATM 0 H5 A2G A 121 -1.461 44.292 -6.656 1.00 53.23 H new HETATM 0 H4 A2G A 121 -2.125 46.448 -7.012 1.00 31.21 H new HETATM 0 H3 A2G A 121 0.026 46.160 -5.806 1.00 21.12 H new HETATM 0 H2 A2G A 121 1.317 46.255 -8.558 1.00 34.22 H new HETATM 0 H15 A2G A 121 -1.144 43.435 -9.798 1.00 60.01 H new HETATM 0 H14 A2G A 121 -2.888 43.129 -7.916 1.00 54.51 H new HETATM 1928 C1 A2G A 122 -2.514 47.288 -9.382 1.00 3.02 C HETATM 1929 C2 A2G A 122 -2.569 47.276 -10.917 1.00 42.53 C HETATM 1930 C3 A2G A 122 -1.362 48.073 -11.449 1.00 62.11 C HETATM 1931 C4 A2G A 122 -1.431 49.582 -10.950 1.00 63.14 C HETATM 1932 C5 A2G A 122 -1.582 49.619 -9.444 1.00 42.33 C HETATM 1933 C6 A2G A 122 -1.738 51.003 -8.798 1.00 20.24 C HETATM 1934 C7 A2G A 122 -3.104 45.590 -12.684 1.00 70.22 C HETATM 1935 C8 A2G A 122 -2.991 44.107 -13.086 1.00 41.34 C HETATM 1936 O A2G A 122 -2.639 48.698 -8.942 1.00 72.34 O HETATM 1937 O3 A2G A 122 -1.282 47.992 -12.876 1.00 52.12 O HETATM 1938 O4 A2G A 122 -2.621 50.214 -11.549 1.00 23.02 O HETATM 1939 O6 A2G A 122 -1.607 52.038 -9.778 1.00 31.15 O HETATM 1940 O7 A2G A 122 -3.569 46.412 -13.457 1.00 30.44 O HETATM 1941 N2 A2G A 122 -2.630 45.902 -11.433 1.00 32.02 N HETATM 0 HO4 A2G A 122 -2.681 51.146 -11.252 1.00 23.02 H new HETATM 0 HO3 A2G A 122 -0.509 48.507 -13.190 1.00 52.12 H new HETATM 0 HN2 A2G A 122 -2.305 45.143 -10.834 1.00 32.02 H new HETATM 0 H8B A2G A 122 -1.944 43.805 -13.070 1.00 41.34 H new HETATM 0 H8A A2G A 122 -3.556 43.495 -12.383 1.00 41.34 H new HETATM 0 H8 A2G A 122 -3.393 43.970 -14.090 1.00 41.34 H new HETATM 0 H6 A2G A 122 -0.985 51.134 -8.021 1.00 20.24 H new HETATM 0 H5 A2G A 122 -0.604 49.264 -9.119 1.00 42.33 H new HETATM 0 H4 A2G A 122 -0.520 50.105 -11.240 1.00 63.14 H new HETATM 0 H3 A2G A 122 -0.450 47.630 -11.049 1.00 62.11 H new HETATM 0 H2 A2G A 122 -3.480 47.757 -11.272 1.00 42.53 H new HETATM 0 H15 A2G A 122 -1.711 52.912 -9.347 1.00 31.15 H new HETATM 0 H14 A2G A 122 -2.712 51.076 -8.313 1.00 20.24 H new HETATM 1955 C2 BGC A 123 -2.565 40.732 -5.728 1.00 4.51 C HETATM 1956 C3 BGC A 123 -3.160 39.889 -6.874 1.00 70.11 C HETATM 1957 C4 BGC A 123 -2.548 40.230 -8.246 1.00 24.22 C HETATM 1958 C5 BGC A 123 -1.010 40.209 -8.185 1.00 71.55 C HETATM 1959 C6 BGC A 123 -0.300 40.578 -9.495 1.00 24.31 C HETATM 1960 C1 BGC A 123 -1.030 40.878 -5.794 1.00 31.35 C HETATM 1961 O2 BGC A 123 -2.888 40.088 -4.484 1.00 20.13 O HETATM 1962 O3 BGC A 123 -4.572 40.162 -6.933 1.00 73.23 O HETATM 1963 O4 BGC A 123 -2.974 39.233 -9.191 1.00 61.42 O HETATM 1964 O5 BGC A 123 -0.611 41.206 -7.171 1.00 73.44 O HETATM 1965 O6 BGC A 123 0.687 41.582 -9.215 1.00 34.02 O HETATM 0 H6C2 BGC A 123 0.170 39.697 -9.931 1.00 24.31 H new HETATM 0 H6C1 BGC A 123 -1.020 40.949 -10.224 1.00 24.31 H new HETATM 0 HD BGC A 123 -2.732 39.516 -10.097 1.00 61.42 H new HETATM 0 HC BGC A 123 -4.976 39.639 -7.656 1.00 73.23 H new HETATM 0 HB BGC A 123 -2.517 40.608 -3.741 1.00 20.13 H new HETATM 0 H6 BGC A 123 0.307 42.256 -8.613 1.00 34.02 H new HETATM 0 H5 BGC A 123 -0.716 39.184 -7.957 1.00 71.55 H new HETATM 0 H4 BGC A 123 -2.876 41.227 -8.539 1.00 24.22 H new HETATM 0 H3 BGC A 123 -2.943 38.841 -6.668 1.00 70.11 H new HETATM 0 H2 BGC A 123 -2.991 41.731 -5.816 1.00 4.51 H new