USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= -0.82 USER MOD Set 1.2: A 83 GLN : amide:sc= 0 X(o=-0.82,f=-0.82) USER MOD Set 2.1: A 74 LYS NZ :NH3+ -149:sc= -0.0124 (180deg=-0.32) USER MOD Set 2.2: A 76 THR OG1 : rot 170:sc= -0.304 USER MOD Set 3.1: A 50 THR OG1 : rot 35:sc= -2.11 USER MOD Set 3.2: A 67 THR OG1 : rot -100:sc= -0.596 USER MOD Set 3.3: A 69 ASN : amide:sc= -3.54! K(o=-6.2!,f=-5.3) USER MOD Set 4.1: A 22 GLN : amide:sc= -0.251 X(o=-0.68,f=-1) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= -0.433 USER MOD Single : A 7 SER OG : rot 180:sc= -0.895 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.132 K(o=0.13,f=-3.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.63) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -21:sc= 0.238 USER MOD Single : A 34 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.53) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.73! K(o=-4.7!,f=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 168:sc= 0.176! USER MOD Single : A 42 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.63) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 123:sc= -2.49! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.000348 K(o=-0.00035,f=-0.55) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 62 HIS : no HD1:sc= -5.63! C(o=-5.6!,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.18) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 150:sc= -1.18 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0078 X(o=-0.0078,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.900 7.129 -3.827 1.00 54.42 N ATOM 43 CA ALA A 4 5.092 7.806 -4.322 1.00 25.44 C ATOM 44 C ALA A 4 4.868 9.311 -4.423 1.00 22.44 C ATOM 45 O ALA A 4 3.832 9.763 -4.912 1.00 20.15 O ATOM 46 CB ALA A 4 5.498 7.239 -5.674 1.00 24.41 C ATOM 0 HA ALA A 4 5.899 7.633 -3.610 1.00 25.44 H new ATOM 0 HB1 ALA A 4 6.390 7.754 -6.032 1.00 24.41 H new ATOM 0 HB2 ALA A 4 5.710 6.174 -5.573 1.00 24.41 H new ATOM 0 HB3 ALA A 4 4.686 7.382 -6.387 1.00 24.41 H new ATOM 52 N LEU A 5 5.844 10.082 -3.957 1.00 65.12 N ATOM 53 CA LEU A 5 5.753 11.537 -3.995 1.00 4.44 C ATOM 54 C LEU A 5 5.381 12.024 -5.391 1.00 43.05 C ATOM 55 O LEU A 5 5.435 11.265 -6.360 1.00 4.45 O ATOM 56 CB LEU A 5 7.081 12.162 -3.561 1.00 54.41 C ATOM 57 CG LEU A 5 8.217 12.099 -4.582 1.00 3.31 C ATOM 58 CD1 LEU A 5 8.314 10.708 -5.188 1.00 74.03 C ATOM 59 CD2 LEU A 5 8.016 13.144 -5.670 1.00 10.44 C ATOM 0 H LEU A 5 6.707 9.724 -3.549 1.00 65.12 H new ATOM 0 HA LEU A 5 4.969 11.845 -3.303 1.00 4.44 H new ATOM 0 HB2 LEU A 5 6.903 13.208 -3.310 1.00 54.41 H new ATOM 0 HB3 LEU A 5 7.412 11.667 -2.648 1.00 54.41 H new ATOM 0 HG LEU A 5 9.153 12.315 -4.068 1.00 3.31 H new ATOM 0 HD11 LEU A 5 9.128 10.683 -5.912 1.00 74.03 H new ATOM 0 HD12 LEU A 5 8.507 9.980 -4.400 1.00 74.03 H new ATOM 0 HD13 LEU A 5 7.377 10.462 -5.687 1.00 74.03 H new ATOM 0 HD21 LEU A 5 8.834 13.084 -6.388 1.00 10.44 H new ATOM 0 HD22 LEU A 5 7.071 12.960 -6.181 1.00 10.44 H new ATOM 0 HD23 LEU A 5 7.999 14.137 -5.222 1.00 10.44 H new ATOM 71 N VAL A 6 5.005 13.295 -5.489 1.00 43.31 N ATOM 72 CA VAL A 6 4.627 13.885 -6.768 1.00 65.30 C ATOM 73 C VAL A 6 4.912 15.382 -6.788 1.00 43.25 C ATOM 74 O VAL A 6 5.861 15.835 -7.428 1.00 43.43 O ATOM 75 CB VAL A 6 3.136 13.653 -7.074 1.00 71.31 C ATOM 76 CG1 VAL A 6 2.729 14.393 -8.339 1.00 71.53 C ATOM 77 CG2 VAL A 6 2.843 12.165 -7.199 1.00 1.20 C ATOM 0 H VAL A 6 4.954 13.936 -4.698 1.00 43.31 H new ATOM 0 HA VAL A 6 5.228 13.394 -7.533 1.00 65.30 H new ATOM 0 HB VAL A 6 2.547 14.048 -6.246 1.00 71.31 H new ATOM 0 HG11 VAL A 6 1.672 14.217 -8.539 1.00 71.53 H new ATOM 0 HG12 VAL A 6 2.900 15.461 -8.207 1.00 71.53 H new ATOM 0 HG13 VAL A 6 3.322 14.032 -9.179 1.00 71.53 H new ATOM 0 HG21 VAL A 6 1.785 12.019 -7.415 1.00 1.20 H new ATOM 0 HG22 VAL A 6 3.440 11.743 -8.008 1.00 1.20 H new ATOM 0 HG23 VAL A 6 3.094 11.665 -6.264 1.00 1.20 H new ATOM 87 N SER A 7 4.084 16.146 -6.083 1.00 41.34 N ATOM 88 CA SER A 7 4.245 17.594 -6.023 1.00 14.30 C ATOM 89 C SER A 7 4.492 18.054 -4.589 1.00 54.13 C ATOM 90 O SER A 7 4.367 17.273 -3.645 1.00 41.15 O ATOM 91 CB SER A 7 3.005 18.290 -6.587 1.00 55.23 C ATOM 92 OG SER A 7 2.538 17.634 -7.753 1.00 73.03 O ATOM 0 H SER A 7 3.295 15.787 -5.546 1.00 41.34 H new ATOM 0 HA SER A 7 5.111 17.864 -6.627 1.00 14.30 H new ATOM 0 HB2 SER A 7 2.217 18.304 -5.834 1.00 55.23 H new ATOM 0 HB3 SER A 7 3.241 19.328 -6.820 1.00 55.23 H new ATOM 0 HG SER A 7 1.744 18.097 -8.093 1.00 73.03 H new ATOM 98 N ILE A 8 4.842 19.326 -4.435 1.00 2.41 N ATOM 99 CA ILE A 8 5.106 19.891 -3.117 1.00 53.12 C ATOM 100 C ILE A 8 4.689 21.357 -3.054 1.00 33.52 C ATOM 101 O ILE A 8 4.640 22.043 -4.074 1.00 50.41 O ATOM 102 CB ILE A 8 6.595 19.776 -2.743 1.00 43.21 C ATOM 103 CG1 ILE A 8 7.421 20.798 -3.528 1.00 12.15 C ATOM 104 CG2 ILE A 8 7.100 18.365 -3.006 1.00 41.41 C ATOM 105 CD1 ILE A 8 7.658 22.089 -2.775 1.00 70.21 C ATOM 0 H ILE A 8 4.949 19.985 -5.206 1.00 2.41 H new ATOM 0 HA ILE A 8 4.515 19.317 -2.403 1.00 53.12 H new ATOM 0 HB ILE A 8 6.705 19.988 -1.679 1.00 43.21 H new ATOM 0 HG12 ILE A 8 8.383 20.355 -3.785 1.00 12.15 H new ATOM 0 HG13 ILE A 8 6.912 21.022 -4.466 1.00 12.15 H new ATOM 0 HG21 ILE A 8 8.154 18.300 -2.737 1.00 41.41 H new ATOM 0 HG22 ILE A 8 6.528 17.656 -2.407 1.00 41.41 H new ATOM 0 HG23 ILE A 8 6.980 18.127 -4.063 1.00 41.41 H new ATOM 0 HD11 ILE A 8 8.250 22.766 -3.391 1.00 70.21 H new ATOM 0 HD12 ILE A 8 6.701 22.555 -2.541 1.00 70.21 H new ATOM 0 HD13 ILE A 8 8.195 21.878 -1.850 1.00 70.21 H new ATOM 117 N SER A 9 4.390 21.830 -1.848 1.00 23.50 N ATOM 118 CA SER A 9 3.975 23.214 -1.651 1.00 25.51 C ATOM 119 C SER A 9 4.946 23.946 -0.730 1.00 24.35 C ATOM 120 O SER A 9 4.986 23.696 0.475 1.00 35.42 O ATOM 121 CB SER A 9 2.562 23.266 -1.067 1.00 4.40 C ATOM 122 OG SER A 9 1.659 22.502 -1.847 1.00 24.21 O ATOM 0 H SER A 9 4.427 21.275 -0.993 1.00 23.50 H new ATOM 0 HA SER A 9 3.978 23.711 -2.621 1.00 25.51 H new ATOM 0 HB2 SER A 9 2.574 22.888 -0.045 1.00 4.40 H new ATOM 0 HB3 SER A 9 2.222 24.301 -1.021 1.00 4.40 H new ATOM 0 HG SER A 9 0.764 22.550 -1.452 1.00 24.21 H new ATOM 128 N VAL A 10 5.730 24.852 -1.306 1.00 14.23 N ATOM 129 CA VAL A 10 6.700 25.623 -0.538 1.00 24.43 C ATOM 130 C VAL A 10 6.426 27.118 -0.648 1.00 43.22 C ATOM 131 O VAL A 10 6.150 27.631 -1.733 1.00 33.43 O ATOM 132 CB VAL A 10 8.140 25.340 -1.008 1.00 33.53 C ATOM 133 CG1 VAL A 10 8.624 24.002 -0.470 1.00 32.41 C ATOM 134 CG2 VAL A 10 8.220 25.374 -2.526 1.00 62.44 C ATOM 0 H VAL A 10 5.712 25.070 -2.302 1.00 14.23 H new ATOM 0 HA VAL A 10 6.597 25.314 0.502 1.00 24.43 H new ATOM 0 HB VAL A 10 8.792 26.120 -0.615 1.00 33.53 H new ATOM 0 HG11 VAL A 10 9.643 23.819 -0.812 1.00 32.41 H new ATOM 0 HG12 VAL A 10 8.605 24.020 0.620 1.00 32.41 H new ATOM 0 HG13 VAL A 10 7.972 23.207 -0.831 1.00 32.41 H new ATOM 0 HG21 VAL A 10 9.244 25.172 -2.841 1.00 62.44 H new ATOM 0 HG22 VAL A 10 7.556 24.616 -2.942 1.00 62.44 H new ATOM 0 HG23 VAL A 10 7.917 26.358 -2.884 1.00 62.44 H new ATOM 144 N SER A 11 6.506 27.814 0.482 1.00 75.23 N ATOM 145 CA SER A 11 6.263 29.251 0.513 1.00 13.30 C ATOM 146 C SER A 11 7.534 30.009 0.882 1.00 44.22 C ATOM 147 O SER A 11 7.651 30.590 1.961 1.00 33.11 O ATOM 148 CB SER A 11 5.152 29.581 1.512 1.00 75.52 C ATOM 149 OG SER A 11 3.872 29.398 0.930 1.00 43.42 O ATOM 0 H SER A 11 6.737 27.406 1.388 1.00 75.23 H new ATOM 0 HA SER A 11 5.950 29.563 -0.484 1.00 13.30 H new ATOM 0 HB2 SER A 11 5.249 28.945 2.392 1.00 75.52 H new ATOM 0 HB3 SER A 11 5.257 30.612 1.850 1.00 75.52 H new ATOM 0 HG SER A 11 3.179 29.614 1.589 1.00 43.42 H new ATOM 155 N PRO A 12 8.512 30.004 -0.036 1.00 44.12 N ATOM 156 CA PRO A 12 9.794 30.687 0.168 1.00 35.52 C ATOM 157 C PRO A 12 9.651 32.205 0.151 1.00 61.43 C ATOM 158 O PRO A 12 8.715 32.744 -0.440 1.00 42.53 O ATOM 159 CB PRO A 12 10.640 30.215 -1.017 1.00 54.11 C ATOM 160 CG PRO A 12 9.649 29.858 -2.071 1.00 43.33 C ATOM 161 CD PRO A 12 8.442 29.332 -1.345 1.00 4.33 C ATOM 0 HA PRO A 12 10.230 30.454 1.139 1.00 35.52 H new ATOM 0 HB2 PRO A 12 11.316 30.999 -1.358 1.00 54.11 H new ATOM 0 HB3 PRO A 12 11.257 29.358 -0.747 1.00 54.11 H new ATOM 0 HG2 PRO A 12 9.392 30.728 -2.676 1.00 43.33 H new ATOM 0 HG3 PRO A 12 10.054 29.107 -2.749 1.00 43.33 H new ATOM 0 HD2 PRO A 12 7.519 29.574 -1.872 1.00 4.33 H new ATOM 0 HD3 PRO A 12 8.476 28.247 -1.242 1.00 4.33 H new ATOM 169 N THR A 13 10.586 32.890 0.802 1.00 33.22 N ATOM 170 CA THR A 13 10.564 34.346 0.862 1.00 72.21 C ATOM 171 C THR A 13 11.785 34.943 0.172 1.00 30.10 C ATOM 172 O THR A 13 12.912 34.788 0.641 1.00 53.40 O ATOM 173 CB THR A 13 10.514 34.848 2.317 1.00 30.34 C ATOM 174 OG1 THR A 13 9.536 34.108 3.057 1.00 0.43 O ATOM 175 CG2 THR A 13 10.180 36.331 2.367 1.00 3.02 C ATOM 0 H THR A 13 11.368 32.459 1.295 1.00 33.22 H new ATOM 0 HA THR A 13 9.662 34.670 0.343 1.00 72.21 H new ATOM 0 HB THR A 13 11.497 34.698 2.764 1.00 30.34 H new ATOM 0 HG1 THR A 13 9.511 34.432 3.982 1.00 0.43 H new ATOM 0 HG21 THR A 13 10.150 36.662 3.405 1.00 3.02 H new ATOM 0 HG22 THR A 13 10.942 36.894 1.828 1.00 3.02 H new ATOM 0 HG23 THR A 13 9.208 36.501 1.904 1.00 3.02 H new ATOM 183 N ASN A 14 11.553 35.626 -0.944 1.00 43.03 N ATOM 184 CA ASN A 14 12.636 36.247 -1.699 1.00 72.10 C ATOM 185 C ASN A 14 12.754 37.730 -1.360 1.00 64.22 C ATOM 186 O ASN A 14 12.381 38.591 -2.157 1.00 31.24 O ATOM 187 CB ASN A 14 12.403 36.073 -3.201 1.00 65.52 C ATOM 188 CG ASN A 14 11.033 36.557 -3.634 1.00 44.35 C ATOM 189 OD1 ASN A 14 10.010 36.018 -3.213 1.00 40.13 O ATOM 190 ND2 ASN A 14 11.008 37.580 -4.481 1.00 4.42 N ATOM 0 H ASN A 14 10.626 35.764 -1.346 1.00 43.03 H new ATOM 0 HA ASN A 14 13.568 35.754 -1.423 1.00 72.10 H new ATOM 0 HB2 ASN A 14 13.169 36.620 -3.750 1.00 65.52 H new ATOM 0 HB3 ASN A 14 12.513 35.021 -3.463 1.00 65.52 H new ATOM 0 HD21 ASN A 14 10.115 37.949 -4.808 1.00 4.42 H new ATOM 0 HD22 ASN A 14 11.881 37.996 -4.804 1.00 4.42 H new ATOM 197 N SER A 15 13.277 38.020 -0.173 1.00 64.02 N ATOM 198 CA SER A 15 13.443 39.398 0.273 1.00 54.40 C ATOM 199 C SER A 15 14.724 39.556 1.086 1.00 12.32 C ATOM 200 O SER A 15 15.560 38.654 1.132 1.00 63.42 O ATOM 201 CB SER A 15 12.238 39.834 1.109 1.00 54.12 C ATOM 202 OG SER A 15 12.375 39.420 2.457 1.00 62.41 O ATOM 0 H SER A 15 13.593 37.319 0.497 1.00 64.02 H new ATOM 0 HA SER A 15 13.513 40.033 -0.610 1.00 54.40 H new ATOM 0 HB2 SER A 15 12.136 40.918 1.067 1.00 54.12 H new ATOM 0 HB3 SER A 15 11.326 39.411 0.687 1.00 54.12 H new ATOM 0 HG SER A 15 11.593 39.712 2.970 1.00 62.41 H new ATOM 208 N THR A 16 14.871 40.711 1.728 1.00 3.13 N ATOM 209 CA THR A 16 16.050 40.990 2.539 1.00 32.42 C ATOM 210 C THR A 16 15.670 41.240 3.994 1.00 74.00 C ATOM 211 O THR A 16 14.551 41.660 4.290 1.00 32.55 O ATOM 212 CB THR A 16 16.823 42.210 2.005 1.00 23.03 C ATOM 213 OG1 THR A 16 17.679 42.733 3.027 1.00 22.13 O ATOM 214 CG2 THR A 16 15.866 43.294 1.535 1.00 53.31 C ATOM 0 H THR A 16 14.188 41.468 1.702 1.00 3.13 H new ATOM 0 HA THR A 16 16.690 40.110 2.480 1.00 32.42 H new ATOM 0 HB THR A 16 17.426 41.887 1.156 1.00 23.03 H new ATOM 0 HG1 THR A 16 18.492 42.189 3.083 1.00 22.13 H new ATOM 0 HG21 THR A 16 16.435 44.145 1.162 1.00 53.31 H new ATOM 0 HG22 THR A 16 15.236 42.902 0.737 1.00 53.31 H new ATOM 0 HG23 THR A 16 15.240 43.613 2.368 1.00 53.31 H new ATOM 222 N VAL A 17 16.608 40.981 4.899 1.00 31.41 N ATOM 223 CA VAL A 17 16.371 41.180 6.324 1.00 25.30 C ATOM 224 C VAL A 17 17.556 41.874 6.986 1.00 43.21 C ATOM 225 O VAL A 17 18.682 41.808 6.493 1.00 21.44 O ATOM 226 CB VAL A 17 16.108 39.843 7.041 1.00 30.55 C ATOM 227 CG1 VAL A 17 17.382 39.014 7.112 1.00 11.45 C ATOM 228 CG2 VAL A 17 15.543 40.087 8.433 1.00 40.14 C ATOM 0 H VAL A 17 17.539 40.633 4.671 1.00 31.41 H new ATOM 0 HA VAL A 17 15.487 41.812 6.413 1.00 25.30 H new ATOM 0 HB VAL A 17 15.370 39.282 6.467 1.00 30.55 H new ATOM 0 HG11 VAL A 17 17.176 38.073 7.622 1.00 11.45 H new ATOM 0 HG12 VAL A 17 17.739 38.809 6.103 1.00 11.45 H new ATOM 0 HG13 VAL A 17 18.145 39.565 7.662 1.00 11.45 H new ATOM 0 HG21 VAL A 17 15.363 39.131 8.925 1.00 40.14 H new ATOM 0 HG22 VAL A 17 16.256 40.668 9.018 1.00 40.14 H new ATOM 0 HG23 VAL A 17 14.605 40.637 8.354 1.00 40.14 H new ATOM 238 N ALA A 18 17.295 42.540 8.106 1.00 54.43 N ATOM 239 CA ALA A 18 18.340 43.245 8.837 1.00 11.41 C ATOM 240 C ALA A 18 19.316 42.266 9.480 1.00 1.10 C ATOM 241 O ALA A 18 18.978 41.108 9.728 1.00 51.42 O ATOM 242 CB ALA A 18 17.725 44.151 9.894 1.00 43.31 C ATOM 0 H ALA A 18 16.368 42.606 8.527 1.00 54.43 H new ATOM 0 HA ALA A 18 18.896 43.858 8.127 1.00 11.41 H new ATOM 0 HB1 ALA A 18 18.517 44.672 10.433 1.00 43.31 H new ATOM 0 HB2 ALA A 18 17.073 44.880 9.413 1.00 43.31 H new ATOM 0 HB3 ALA A 18 17.144 43.551 10.594 1.00 43.31 H new ATOM 248 N LYS A 19 20.529 42.737 9.748 1.00 43.13 N ATOM 249 CA LYS A 19 21.556 41.904 10.362 1.00 33.24 C ATOM 250 C LYS A 19 21.023 41.222 11.619 1.00 52.23 C ATOM 251 O LYS A 19 20.355 41.848 12.441 1.00 42.43 O ATOM 252 CB LYS A 19 22.786 42.746 10.709 1.00 14.00 C ATOM 253 CG LYS A 19 24.101 42.011 10.514 1.00 15.23 C ATOM 254 CD LYS A 19 24.459 41.177 11.733 1.00 72.14 C ATOM 255 CE LYS A 19 25.938 41.288 12.069 1.00 60.01 C ATOM 256 NZ LYS A 19 26.362 40.256 13.056 1.00 54.24 N ATOM 0 H LYS A 19 20.825 43.693 9.549 1.00 43.13 H new ATOM 0 HA LYS A 19 21.841 41.135 9.644 1.00 33.24 H new ATOM 0 HB2 LYS A 19 22.787 43.645 10.092 1.00 14.00 H new ATOM 0 HB3 LYS A 19 22.712 43.072 11.747 1.00 14.00 H new ATOM 0 HG2 LYS A 19 24.032 41.366 9.638 1.00 15.23 H new ATOM 0 HG3 LYS A 19 24.896 42.731 10.318 1.00 15.23 H new ATOM 0 HD2 LYS A 19 23.865 41.505 12.586 1.00 72.14 H new ATOM 0 HD3 LYS A 19 24.204 40.133 11.549 1.00 72.14 H new ATOM 0 HE2 LYS A 19 26.526 41.182 11.158 1.00 60.01 H new ATOM 0 HE3 LYS A 19 26.146 42.280 12.469 1.00 60.01 H new ATOM 0 HZ1 LYS A 19 27.376 40.365 13.259 1.00 54.24 H new ATOM 0 HZ2 LYS A 19 25.819 40.373 13.935 1.00 54.24 H new ATOM 0 HZ3 LYS A 19 26.187 39.309 12.664 1.00 54.24 H new ATOM 270 N GLY A 20 21.324 39.935 11.761 1.00 32.13 N ATOM 271 CA GLY A 20 20.868 39.191 12.921 1.00 61.53 C ATOM 272 C GLY A 20 19.377 38.920 12.887 1.00 51.41 C ATOM 273 O GLY A 20 18.574 39.779 13.256 1.00 63.22 O ATOM 0 H GLY A 20 21.875 39.394 11.094 1.00 32.13 H new ATOM 0 HA2 GLY A 20 21.405 38.244 12.975 1.00 61.53 H new ATOM 0 HA3 GLY A 20 21.112 39.748 13.825 1.00 61.53 H new ATOM 277 N LEU A 21 19.004 37.726 12.442 1.00 72.32 N ATOM 278 CA LEU A 21 17.598 37.345 12.359 1.00 20.22 C ATOM 279 C LEU A 21 17.450 35.921 11.833 1.00 33.21 C ATOM 280 O LEU A 21 18.376 35.370 11.239 1.00 73.43 O ATOM 281 CB LEU A 21 16.838 38.317 11.455 1.00 63.44 C ATOM 282 CG LEU A 21 15.542 38.892 12.027 1.00 43.24 C ATOM 283 CD1 LEU A 21 15.513 40.404 11.865 1.00 54.11 C ATOM 284 CD2 LEU A 21 14.334 38.258 11.353 1.00 41.22 C ATOM 0 H LEU A 21 19.655 37.004 12.133 1.00 72.32 H new ATOM 0 HA LEU A 21 17.176 37.387 13.363 1.00 20.22 H new ATOM 0 HB2 LEU A 21 17.501 39.146 11.207 1.00 63.44 H new ATOM 0 HB3 LEU A 21 16.604 37.806 10.521 1.00 63.44 H new ATOM 0 HG LEU A 21 15.502 38.660 13.091 1.00 43.24 H new ATOM 0 HD11 LEU A 21 14.584 40.796 12.278 1.00 54.11 H new ATOM 0 HD12 LEU A 21 16.359 40.843 12.394 1.00 54.11 H new ATOM 0 HD13 LEU A 21 15.576 40.658 10.807 1.00 54.11 H new ATOM 0 HD21 LEU A 21 13.420 38.679 11.773 1.00 41.22 H new ATOM 0 HD22 LEU A 21 14.368 38.459 10.282 1.00 41.22 H new ATOM 0 HD23 LEU A 21 14.347 37.181 11.521 1.00 41.22 H new ATOM 296 N GLN A 22 16.279 35.333 12.054 1.00 35.43 N ATOM 297 CA GLN A 22 16.009 33.973 11.601 1.00 41.32 C ATOM 298 C GLN A 22 14.765 33.930 10.719 1.00 23.04 C ATOM 299 O GLN A 22 14.000 34.892 10.662 1.00 4.14 O ATOM 300 CB GLN A 22 15.832 33.039 12.799 1.00 24.00 C ATOM 301 CG GLN A 22 17.031 33.014 13.733 1.00 3.44 C ATOM 302 CD GLN A 22 16.952 34.076 14.813 1.00 50.14 C ATOM 303 OE1 GLN A 22 15.918 34.244 15.460 1.00 72.04 O ATOM 304 NE2 GLN A 22 18.047 34.800 15.013 1.00 61.11 N ATOM 0 H GLN A 22 15.502 35.777 12.544 1.00 35.43 H new ATOM 0 HA GLN A 22 16.862 33.637 11.011 1.00 41.32 H new ATOM 0 HB2 GLN A 22 14.950 33.346 13.361 1.00 24.00 H new ATOM 0 HB3 GLN A 22 15.643 32.029 12.437 1.00 24.00 H new ATOM 0 HG2 GLN A 22 17.103 32.031 14.199 1.00 3.44 H new ATOM 0 HG3 GLN A 22 17.942 33.159 13.152 1.00 3.44 H new ATOM 0 HE21 GLN A 22 18.882 34.627 14.454 1.00 61.11 H new ATOM 0 HE22 GLN A 22 18.053 35.529 15.726 1.00 61.11 H new ATOM 313 N GLU A 23 14.570 32.808 10.034 1.00 65.22 N ATOM 314 CA GLU A 23 13.420 32.641 9.154 1.00 35.22 C ATOM 315 C GLU A 23 12.898 31.208 9.207 1.00 71.31 C ATOM 316 O GLU A 23 13.667 30.262 9.371 1.00 61.22 O ATOM 317 CB GLU A 23 13.791 33.007 7.716 1.00 43.31 C ATOM 318 CG GLU A 23 12.928 34.110 7.126 1.00 5.34 C ATOM 319 CD GLU A 23 13.136 35.445 7.816 1.00 65.15 C ATOM 320 OE1 GLU A 23 14.162 36.101 7.539 1.00 44.34 O ATOM 321 OE2 GLU A 23 12.274 35.833 8.631 1.00 24.22 O ATOM 0 H GLU A 23 15.193 32.001 10.072 1.00 65.22 H new ATOM 0 HA GLU A 23 12.632 33.310 9.499 1.00 35.22 H new ATOM 0 HB2 GLU A 23 14.835 33.320 7.687 1.00 43.31 H new ATOM 0 HB3 GLU A 23 13.707 32.118 7.091 1.00 43.31 H new ATOM 0 HG2 GLU A 23 13.154 34.215 6.065 1.00 5.34 H new ATOM 0 HG3 GLU A 23 11.879 33.825 7.202 1.00 5.34 H new ATOM 328 N ASN A 24 11.585 31.057 9.067 1.00 32.33 N ATOM 329 CA ASN A 24 10.959 29.740 9.100 1.00 21.30 C ATOM 330 C ASN A 24 10.494 29.324 7.708 1.00 74.21 C ATOM 331 O ASN A 24 9.973 30.139 6.946 1.00 3.31 O ATOM 332 CB ASN A 24 9.774 29.739 10.068 1.00 40.03 C ATOM 333 CG ASN A 24 10.006 30.637 11.267 1.00 5.41 C ATOM 334 OD1 ASN A 24 9.204 31.524 11.557 1.00 15.42 O ATOM 335 ND2 ASN A 24 11.110 30.411 11.971 1.00 52.13 N ATOM 0 H ASN A 24 10.934 31.830 8.930 1.00 32.33 H new ATOM 0 HA ASN A 24 11.702 29.021 9.446 1.00 21.30 H new ATOM 0 HB2 ASN A 24 8.878 30.066 9.541 1.00 40.03 H new ATOM 0 HB3 ASN A 24 9.589 28.721 10.410 1.00 40.03 H new ATOM 0 HD21 ASN A 24 11.320 30.984 12.788 1.00 52.13 H new ATOM 0 HD22 ASN A 24 11.747 29.664 11.694 1.00 52.13 H new ATOM 342 N PHE A 25 10.684 28.049 7.383 1.00 53.55 N ATOM 343 CA PHE A 25 10.284 27.525 6.082 1.00 31.41 C ATOM 344 C PHE A 25 9.423 26.275 6.241 1.00 13.14 C ATOM 345 O PHE A 25 9.778 25.351 6.973 1.00 62.32 O ATOM 346 CB PHE A 25 11.518 27.203 5.237 1.00 60.21 C ATOM 347 CG PHE A 25 11.276 27.307 3.758 1.00 33.32 C ATOM 348 CD1 PHE A 25 10.354 26.482 3.134 1.00 31.22 C ATOM 349 CD2 PHE A 25 11.970 28.229 2.992 1.00 1.22 C ATOM 350 CE1 PHE A 25 10.128 26.575 1.774 1.00 42.03 C ATOM 351 CE2 PHE A 25 11.748 28.327 1.632 1.00 43.34 C ATOM 352 CZ PHE A 25 10.827 27.498 1.021 1.00 2.44 C ATOM 0 H PHE A 25 11.112 27.360 8.002 1.00 53.55 H new ATOM 0 HA PHE A 25 9.695 28.289 5.576 1.00 31.41 H new ATOM 0 HB2 PHE A 25 12.325 27.882 5.514 1.00 60.21 H new ATOM 0 HB3 PHE A 25 11.856 26.194 5.472 1.00 60.21 H new ATOM 0 HD1 PHE A 25 9.805 25.758 3.718 1.00 31.22 H new ATOM 0 HD2 PHE A 25 12.693 28.879 3.463 1.00 1.22 H new ATOM 0 HE1 PHE A 25 9.406 25.927 1.300 1.00 42.03 H new ATOM 0 HE2 PHE A 25 12.294 29.052 1.046 1.00 43.34 H new ATOM 0 HZ PHE A 25 10.654 27.572 -0.043 1.00 2.44 H new ATOM 362 N LYS A 26 8.287 26.255 5.552 1.00 63.45 N ATOM 363 CA LYS A 26 7.374 25.120 5.614 1.00 32.11 C ATOM 364 C LYS A 26 7.131 24.539 4.225 1.00 43.34 C ATOM 365 O LYS A 26 6.929 25.277 3.260 1.00 33.34 O ATOM 366 CB LYS A 26 6.043 25.544 6.241 1.00 64.33 C ATOM 367 CG LYS A 26 5.896 25.127 7.694 1.00 55.41 C ATOM 368 CD LYS A 26 5.527 23.658 7.818 1.00 1.54 C ATOM 369 CE LYS A 26 5.880 23.110 9.192 1.00 32.15 C ATOM 370 NZ LYS A 26 6.481 21.750 9.109 1.00 34.13 N ATOM 0 H LYS A 26 7.977 27.013 4.944 1.00 63.45 H new ATOM 0 HA LYS A 26 7.833 24.350 6.235 1.00 32.11 H new ATOM 0 HB2 LYS A 26 5.947 26.627 6.171 1.00 64.33 H new ATOM 0 HB3 LYS A 26 5.225 25.113 5.663 1.00 64.33 H new ATOM 0 HG2 LYS A 26 6.830 25.314 8.224 1.00 55.41 H new ATOM 0 HG3 LYS A 26 5.130 25.737 8.173 1.00 55.41 H new ATOM 0 HD2 LYS A 26 4.459 23.533 7.639 1.00 1.54 H new ATOM 0 HD3 LYS A 26 6.048 23.085 7.051 1.00 1.54 H new ATOM 0 HE2 LYS A 26 6.579 23.786 9.684 1.00 32.15 H new ATOM 0 HE3 LYS A 26 4.983 23.074 9.810 1.00 32.15 H new ATOM 0 HZ1 LYS A 26 6.708 21.412 10.066 1.00 34.13 H new ATOM 0 HZ2 LYS A 26 5.805 21.098 8.662 1.00 34.13 H new ATOM 0 HZ3 LYS A 26 7.351 21.789 8.541 1.00 34.13 H new ATOM 384 N ALA A 27 7.152 23.214 4.130 1.00 20.11 N ATOM 385 CA ALA A 27 6.931 22.535 2.859 1.00 11.03 C ATOM 386 C ALA A 27 6.041 21.310 3.039 1.00 55.11 C ATOM 387 O ALA A 27 6.230 20.521 3.965 1.00 5.45 O ATOM 388 CB ALA A 27 8.260 22.137 2.235 1.00 22.23 C ATOM 0 H ALA A 27 7.320 22.589 4.918 1.00 20.11 H new ATOM 0 HA ALA A 27 6.421 23.227 2.189 1.00 11.03 H new ATOM 0 HB1 ALA A 27 8.080 21.631 1.287 1.00 22.23 H new ATOM 0 HB2 ALA A 27 8.862 23.029 2.062 1.00 22.23 H new ATOM 0 HB3 ALA A 27 8.792 21.466 2.909 1.00 22.23 H new ATOM 394 N THR A 28 5.067 21.156 2.147 1.00 14.11 N ATOM 395 CA THR A 28 4.146 20.028 2.208 1.00 14.33 C ATOM 396 C THR A 28 4.361 19.078 1.036 1.00 42.10 C ATOM 397 O THR A 28 4.330 19.489 -0.123 1.00 53.40 O ATOM 398 CB THR A 28 2.679 20.500 2.209 1.00 22.12 C ATOM 399 OG1 THR A 28 2.601 21.857 2.659 1.00 4.10 O ATOM 400 CG2 THR A 28 1.826 19.614 3.104 1.00 23.15 C ATOM 0 H THR A 28 4.896 21.799 1.374 1.00 14.11 H new ATOM 0 HA THR A 28 4.352 19.502 3.140 1.00 14.33 H new ATOM 0 HB THR A 28 2.299 20.433 1.190 1.00 22.12 H new ATOM 0 HG1 THR A 28 1.666 22.150 2.655 1.00 4.10 H new ATOM 0 HG21 THR A 28 0.795 19.967 3.089 1.00 23.15 H new ATOM 0 HG22 THR A 28 1.864 18.587 2.741 1.00 23.15 H new ATOM 0 HG23 THR A 28 2.208 19.653 4.124 1.00 23.15 H new ATOM 408 N GLY A 29 4.580 17.803 1.345 1.00 12.55 N ATOM 409 CA GLY A 29 4.797 16.814 0.306 1.00 52.41 C ATOM 410 C GLY A 29 3.503 16.194 -0.183 1.00 62.11 C ATOM 411 O GLY A 29 2.587 15.953 0.603 1.00 33.22 O ATOM 0 H GLY A 29 4.611 17.438 2.297 1.00 12.55 H new ATOM 0 HA2 GLY A 29 5.313 17.280 -0.533 1.00 52.41 H new ATOM 0 HA3 GLY A 29 5.451 16.030 0.686 1.00 52.41 H new ATOM 415 N ILE A 30 3.427 15.936 -1.484 1.00 44.23 N ATOM 416 CA ILE A 30 2.236 15.341 -2.076 1.00 70.35 C ATOM 417 C ILE A 30 2.542 13.968 -2.665 1.00 62.31 C ATOM 418 O ILE A 30 3.657 13.710 -3.120 1.00 72.02 O ATOM 419 CB ILE A 30 1.646 16.240 -3.179 1.00 71.51 C ATOM 420 CG1 ILE A 30 1.485 17.673 -2.668 1.00 21.44 C ATOM 421 CG2 ILE A 30 0.310 15.688 -3.654 1.00 20.31 C ATOM 422 CD1 ILE A 30 0.568 17.787 -1.470 1.00 2.30 C ATOM 0 H ILE A 30 4.176 16.130 -2.148 1.00 44.23 H new ATOM 0 HA ILE A 30 1.505 15.235 -1.275 1.00 70.35 H new ATOM 0 HB ILE A 30 2.334 16.251 -4.025 1.00 71.51 H new ATOM 0 HG12 ILE A 30 2.466 18.068 -2.404 1.00 21.44 H new ATOM 0 HG13 ILE A 30 1.097 18.296 -3.474 1.00 21.44 H new ATOM 0 HG21 ILE A 30 -0.094 16.334 -4.433 1.00 20.31 H new ATOM 0 HG22 ILE A 30 0.452 14.684 -4.053 1.00 20.31 H new ATOM 0 HG23 ILE A 30 -0.387 15.650 -2.816 1.00 20.31 H new ATOM 0 HD11 ILE A 30 0.500 18.830 -1.161 1.00 2.30 H new ATOM 0 HD12 ILE A 30 -0.424 17.422 -1.735 1.00 2.30 H new ATOM 0 HD13 ILE A 30 0.966 17.191 -0.649 1.00 2.30 H new ATOM 434 N PHE A 31 1.545 13.090 -2.655 1.00 32.45 N ATOM 435 CA PHE A 31 1.707 11.742 -3.188 1.00 53.32 C ATOM 436 C PHE A 31 0.771 11.510 -4.371 1.00 32.42 C ATOM 437 O PHE A 31 -0.244 12.192 -4.519 1.00 22.32 O ATOM 438 CB PHE A 31 1.437 10.703 -2.098 1.00 2.11 C ATOM 439 CG PHE A 31 2.563 10.562 -1.113 1.00 74.23 C ATOM 440 CD1 PHE A 31 2.694 11.451 -0.059 1.00 41.41 C ATOM 441 CD2 PHE A 31 3.489 9.539 -1.241 1.00 54.15 C ATOM 442 CE1 PHE A 31 3.729 11.324 0.848 1.00 62.12 C ATOM 443 CE2 PHE A 31 4.526 9.406 -0.337 1.00 54.43 C ATOM 444 CZ PHE A 31 4.645 10.299 0.709 1.00 3.53 C ATOM 0 H PHE A 31 0.616 13.288 -2.284 1.00 32.45 H new ATOM 0 HA PHE A 31 2.735 11.636 -3.534 1.00 53.32 H new ATOM 0 HB2 PHE A 31 0.528 10.978 -1.562 1.00 2.11 H new ATOM 0 HB3 PHE A 31 1.251 9.736 -2.566 1.00 2.11 H new ATOM 0 HD1 PHE A 31 1.979 12.253 0.055 1.00 41.41 H new ATOM 0 HD2 PHE A 31 3.399 8.837 -2.057 1.00 54.15 H new ATOM 0 HE1 PHE A 31 3.822 12.025 1.664 1.00 62.12 H new ATOM 0 HE2 PHE A 31 5.242 8.605 -0.449 1.00 54.43 H new ATOM 0 HZ PHE A 31 5.453 10.197 1.418 1.00 3.53 H new ATOM 454 N THR A 32 1.119 10.541 -5.212 1.00 45.12 N ATOM 455 CA THR A 32 0.313 10.218 -6.383 1.00 2.54 C ATOM 456 C THR A 32 -1.023 9.606 -5.978 1.00 40.41 C ATOM 457 O THR A 32 -1.930 9.474 -6.800 1.00 13.52 O ATOM 458 CB THR A 32 1.049 9.243 -7.320 1.00 62.32 C ATOM 459 OG1 THR A 32 0.273 9.020 -8.502 1.00 74.44 O ATOM 460 CG2 THR A 32 1.312 7.917 -6.623 1.00 25.25 C ATOM 0 H THR A 32 1.954 9.966 -5.104 1.00 45.12 H new ATOM 0 HA THR A 32 0.135 11.154 -6.913 1.00 2.54 H new ATOM 0 HB THR A 32 2.006 9.688 -7.592 1.00 62.32 H new ATOM 0 HG1 THR A 32 -0.665 9.242 -8.324 1.00 74.44 H new ATOM 0 HG21 THR A 32 1.833 7.245 -7.305 1.00 25.25 H new ATOM 0 HG22 THR A 32 1.927 8.086 -5.739 1.00 25.25 H new ATOM 0 HG23 THR A 32 0.364 7.469 -6.325 1.00 25.25 H new ATOM 468 N ASP A 33 -1.138 9.235 -4.708 1.00 23.21 N ATOM 469 CA ASP A 33 -2.365 8.638 -4.194 1.00 21.12 C ATOM 470 C ASP A 33 -3.332 9.714 -3.711 1.00 52.45 C ATOM 471 O ASP A 33 -4.267 9.432 -2.963 1.00 1.40 O ATOM 472 CB ASP A 33 -2.048 7.671 -3.052 1.00 5.22 C ATOM 473 CG ASP A 33 -3.183 6.704 -2.780 1.00 1.14 C ATOM 474 OD1 ASP A 33 -3.346 5.744 -3.562 1.00 41.42 O ATOM 475 OD2 ASP A 33 -3.908 6.906 -1.783 1.00 41.44 O ATOM 0 H ASP A 33 -0.396 9.337 -4.015 1.00 23.21 H new ATOM 0 HA ASP A 33 -2.839 8.086 -5.006 1.00 21.12 H new ATOM 0 HB2 ASP A 33 -1.146 7.109 -3.296 1.00 5.22 H new ATOM 0 HB3 ASP A 33 -1.834 8.240 -2.147 1.00 5.22 H new ATOM 480 N ASN A 34 -3.100 10.949 -4.145 1.00 43.01 N ATOM 481 CA ASN A 34 -3.950 12.068 -3.756 1.00 43.51 C ATOM 482 C ASN A 34 -3.865 12.319 -2.254 1.00 2.54 C ATOM 483 O ASN A 34 -4.695 13.029 -1.684 1.00 64.55 O ATOM 484 CB ASN A 34 -5.401 11.798 -4.158 1.00 61.21 C ATOM 485 CG ASN A 34 -5.505 10.957 -5.416 1.00 52.42 C ATOM 486 OD1 ASN A 34 -4.997 11.335 -6.472 1.00 25.41 O ATOM 487 ND2 ASN A 34 -6.167 9.811 -5.309 1.00 13.33 N ATOM 0 H ASN A 34 -2.331 11.200 -4.766 1.00 43.01 H new ATOM 0 HA ASN A 34 -3.596 12.958 -4.276 1.00 43.51 H new ATOM 0 HB2 ASN A 34 -5.913 11.290 -3.341 1.00 61.21 H new ATOM 0 HB3 ASN A 34 -5.914 12.747 -4.315 1.00 61.21 H new ATOM 0 HD21 ASN A 34 -6.271 9.204 -6.122 1.00 13.33 H new ATOM 0 HD22 ASN A 34 -6.572 9.538 -4.414 1.00 13.33 H new ATOM 494 N SER A 35 -2.856 11.733 -1.617 1.00 43.33 N ATOM 495 CA SER A 35 -2.664 11.890 -0.180 1.00 43.44 C ATOM 496 C SER A 35 -1.522 12.859 0.112 1.00 12.54 C ATOM 497 O SER A 35 -0.366 12.587 -0.206 1.00 5.22 O ATOM 498 CB SER A 35 -2.376 10.535 0.468 1.00 12.04 C ATOM 499 OG SER A 35 -2.113 10.678 1.853 1.00 4.23 O ATOM 0 H SER A 35 -2.159 11.145 -2.074 1.00 43.33 H new ATOM 0 HA SER A 35 -3.582 12.299 0.242 1.00 43.44 H new ATOM 0 HB2 SER A 35 -3.228 9.871 0.323 1.00 12.04 H new ATOM 0 HB3 SER A 35 -1.521 10.069 -0.022 1.00 12.04 H new ATOM 0 HG SER A 35 -1.933 9.798 2.244 1.00 4.23 H new ATOM 505 N ASN A 36 -1.858 13.992 0.721 1.00 4.32 N ATOM 506 CA ASN A 36 -0.862 15.003 1.057 1.00 3.41 C ATOM 507 C ASN A 36 -0.322 14.788 2.468 1.00 71.02 C ATOM 508 O ASN A 36 -1.068 14.437 3.382 1.00 51.11 O ATOM 509 CB ASN A 36 -1.466 16.404 0.939 1.00 73.14 C ATOM 510 CG ASN A 36 -2.486 16.501 -0.180 1.00 30.33 C ATOM 511 OD1 ASN A 36 -3.585 17.022 0.011 1.00 41.13 O ATOM 512 ND2 ASN A 36 -2.125 15.997 -1.354 1.00 74.22 N ATOM 0 H ASN A 36 -2.812 14.233 0.992 1.00 4.32 H new ATOM 0 HA ASN A 36 -0.036 14.910 0.352 1.00 3.41 H new ATOM 0 HB2 ASN A 36 -1.940 16.673 1.883 1.00 73.14 H new ATOM 0 HB3 ASN A 36 -0.669 17.127 0.764 1.00 73.14 H new ATOM 0 HD21 ASN A 36 -2.769 16.032 -2.144 1.00 74.22 H new ATOM 0 HD22 ASN A 36 -1.203 15.575 -1.466 1.00 74.22 H new ATOM 519 N SER A 37 0.979 15.001 2.637 1.00 51.11 N ATOM 520 CA SER A 37 1.620 14.827 3.935 1.00 14.42 C ATOM 521 C SER A 37 2.571 15.983 4.230 1.00 21.15 C ATOM 522 O SER A 37 3.043 16.662 3.318 1.00 31.31 O ATOM 523 CB SER A 37 2.381 13.501 3.978 1.00 0.14 C ATOM 524 OG SER A 37 1.489 12.404 4.069 1.00 60.32 O ATOM 0 H SER A 37 1.610 15.294 1.891 1.00 51.11 H new ATOM 0 HA SER A 37 0.842 14.816 4.699 1.00 14.42 H new ATOM 0 HB2 SER A 37 2.995 13.401 3.083 1.00 0.14 H new ATOM 0 HB3 SER A 37 3.059 13.495 4.832 1.00 0.14 H new ATOM 0 HG SER A 37 2.000 11.568 4.093 1.00 60.32 H new ATOM 530 N ASP A 38 2.848 16.200 5.511 1.00 1.04 N ATOM 531 CA ASP A 38 3.744 17.272 5.929 1.00 51.42 C ATOM 532 C ASP A 38 5.190 16.788 5.969 1.00 31.21 C ATOM 533 O ASP A 38 5.492 15.757 6.570 1.00 25.35 O ATOM 534 CB ASP A 38 3.333 17.804 7.303 1.00 74.33 C ATOM 535 CG ASP A 38 3.496 16.767 8.397 1.00 55.11 C ATOM 536 OD1 ASP A 38 3.411 15.560 8.088 1.00 55.43 O ATOM 537 OD2 ASP A 38 3.707 17.163 9.563 1.00 63.54 O ATOM 0 H ASP A 38 2.465 15.648 6.278 1.00 1.04 H new ATOM 0 HA ASP A 38 3.670 18.078 5.199 1.00 51.42 H new ATOM 0 HB2 ASP A 38 3.934 18.681 7.545 1.00 74.33 H new ATOM 0 HB3 ASP A 38 2.294 18.130 7.267 1.00 74.33 H new ATOM 542 N ILE A 39 6.078 17.537 5.325 1.00 52.33 N ATOM 543 CA ILE A 39 7.491 17.184 5.287 1.00 24.33 C ATOM 544 C ILE A 39 7.679 15.671 5.271 1.00 24.53 C ATOM 545 O ILE A 39 8.503 15.128 6.008 1.00 25.31 O ATOM 546 CB ILE A 39 8.251 17.771 6.492 1.00 53.35 C ATOM 547 CG1 ILE A 39 7.690 17.209 7.799 1.00 23.14 C ATOM 548 CG2 ILE A 39 8.165 19.290 6.482 1.00 52.21 C ATOM 549 CD1 ILE A 39 6.551 18.025 8.369 1.00 5.24 C ATOM 0 H ILE A 39 5.844 18.393 4.822 1.00 52.33 H new ATOM 0 HA ILE A 39 7.898 17.609 4.369 1.00 24.33 H new ATOM 0 HB ILE A 39 9.300 17.485 6.416 1.00 53.35 H new ATOM 0 HG12 ILE A 39 7.345 16.189 7.628 1.00 23.14 H new ATOM 0 HG13 ILE A 39 8.492 17.155 8.536 1.00 23.14 H new ATOM 0 HG21 ILE A 39 8.706 19.691 7.339 1.00 52.21 H new ATOM 0 HG22 ILE A 39 8.607 19.673 5.562 1.00 52.21 H new ATOM 0 HG23 ILE A 39 7.120 19.596 6.538 1.00 52.21 H new ATOM 0 HD11 ILE A 39 6.203 17.567 9.295 1.00 5.24 H new ATOM 0 HD12 ILE A 39 6.896 19.039 8.572 1.00 5.24 H new ATOM 0 HD13 ILE A 39 5.732 18.058 7.651 1.00 5.24 H new ATOM 561 N THR A 40 6.910 14.993 4.424 1.00 24.04 N ATOM 562 CA THR A 40 6.992 13.542 4.311 1.00 1.30 C ATOM 563 C THR A 40 8.407 13.097 3.959 1.00 52.12 C ATOM 564 O THR A 40 8.934 12.152 4.545 1.00 23.30 O ATOM 565 CB THR A 40 6.017 13.006 3.246 1.00 42.34 C ATOM 566 OG1 THR A 40 6.204 11.597 3.075 1.00 65.00 O ATOM 567 CG2 THR A 40 6.225 13.715 1.916 1.00 45.40 C ATOM 0 H THR A 40 6.223 15.426 3.806 1.00 24.04 H new ATOM 0 HA THR A 40 6.717 13.133 5.283 1.00 1.30 H new ATOM 0 HB THR A 40 5.000 13.198 3.587 1.00 42.34 H new ATOM 0 HG1 THR A 40 5.467 11.232 2.542 1.00 65.00 H new ATOM 0 HG21 THR A 40 5.525 13.320 1.180 1.00 45.40 H new ATOM 0 HG22 THR A 40 6.053 14.784 2.043 1.00 45.40 H new ATOM 0 HG23 THR A 40 7.246 13.550 1.572 1.00 45.40 H new ATOM 575 N ASP A 41 9.016 13.784 2.999 1.00 43.00 N ATOM 576 CA ASP A 41 10.372 13.460 2.570 1.00 51.12 C ATOM 577 C ASP A 41 11.391 14.355 3.268 1.00 43.25 C ATOM 578 O ASP A 41 12.590 14.268 3.004 1.00 22.33 O ATOM 579 CB ASP A 41 10.498 13.608 1.053 1.00 45.22 C ATOM 580 CG ASP A 41 10.326 12.289 0.326 1.00 71.01 C ATOM 581 OD1 ASP A 41 9.167 11.903 0.064 1.00 64.33 O ATOM 582 OD2 ASP A 41 11.349 11.643 0.018 1.00 4.25 O ATOM 0 H ASP A 41 8.593 14.568 2.503 1.00 43.00 H new ATOM 0 HA ASP A 41 10.577 12.425 2.844 1.00 51.12 H new ATOM 0 HB2 ASP A 41 9.750 14.316 0.697 1.00 45.22 H new ATOM 0 HB3 ASP A 41 11.475 14.028 0.812 1.00 45.22 H new ATOM 587 N GLN A 42 10.905 15.215 4.157 1.00 44.44 N ATOM 588 CA GLN A 42 11.775 16.128 4.890 1.00 33.44 C ATOM 589 C GLN A 42 12.455 17.111 3.944 1.00 64.54 C ATOM 590 O GLN A 42 13.449 16.779 3.297 1.00 23.12 O ATOM 591 CB GLN A 42 12.828 15.342 5.673 1.00 4.44 C ATOM 592 CG GLN A 42 12.625 15.386 7.179 1.00 30.12 C ATOM 593 CD GLN A 42 12.370 16.789 7.693 1.00 4.15 C ATOM 594 OE1 GLN A 42 13.296 17.589 7.833 1.00 21.01 O ATOM 595 NE2 GLN A 42 11.110 17.096 7.978 1.00 23.14 N ATOM 0 H GLN A 42 9.915 15.299 4.387 1.00 44.44 H new ATOM 0 HA GLN A 42 11.160 16.694 5.589 1.00 33.44 H new ATOM 0 HB2 GLN A 42 12.814 14.303 5.343 1.00 4.44 H new ATOM 0 HB3 GLN A 42 13.815 15.738 5.436 1.00 4.44 H new ATOM 0 HG2 GLN A 42 11.784 14.747 7.447 1.00 30.12 H new ATOM 0 HG3 GLN A 42 13.507 14.977 7.673 1.00 30.12 H new ATOM 0 HE21 GLN A 42 10.374 16.402 7.847 1.00 23.14 H new ATOM 0 HE22 GLN A 42 10.878 18.026 8.328 1.00 23.14 H new ATOM 604 N VAL A 43 11.914 18.322 3.866 1.00 34.13 N ATOM 605 CA VAL A 43 12.469 19.354 2.999 1.00 60.10 C ATOM 606 C VAL A 43 13.844 19.799 3.485 1.00 15.33 C ATOM 607 O VAL A 43 13.968 20.441 4.529 1.00 31.22 O ATOM 608 CB VAL A 43 11.541 20.581 2.922 1.00 45.13 C ATOM 609 CG1 VAL A 43 11.183 21.069 4.317 1.00 21.43 C ATOM 610 CG2 VAL A 43 12.194 21.691 2.111 1.00 13.24 C ATOM 0 H VAL A 43 11.091 18.613 4.393 1.00 34.13 H new ATOM 0 HA VAL A 43 12.563 18.916 2.005 1.00 60.10 H new ATOM 0 HB VAL A 43 10.620 20.287 2.419 1.00 45.13 H new ATOM 0 HG11 VAL A 43 10.527 21.936 4.242 1.00 21.43 H new ATOM 0 HG12 VAL A 43 10.673 20.274 4.861 1.00 21.43 H new ATOM 0 HG13 VAL A 43 12.092 21.347 4.850 1.00 21.43 H new ATOM 0 HG21 VAL A 43 11.525 22.551 2.066 1.00 13.24 H new ATOM 0 HG22 VAL A 43 13.131 21.984 2.584 1.00 13.24 H new ATOM 0 HG23 VAL A 43 12.394 21.334 1.101 1.00 13.24 H new ATOM 620 N THR A 44 14.876 19.455 2.721 1.00 12.23 N ATOM 621 CA THR A 44 16.242 19.819 3.074 1.00 23.40 C ATOM 622 C THR A 44 16.670 21.101 2.369 1.00 73.20 C ATOM 623 O THR A 44 16.820 21.128 1.147 1.00 20.15 O ATOM 624 CB THR A 44 17.233 18.695 2.716 1.00 72.32 C ATOM 625 OG1 THR A 44 16.688 17.424 3.089 1.00 11.10 O ATOM 626 CG2 THR A 44 18.567 18.905 3.416 1.00 52.51 C ATOM 0 H THR A 44 14.791 18.925 1.854 1.00 12.23 H new ATOM 0 HA THR A 44 16.258 19.978 4.152 1.00 23.40 H new ATOM 0 HB THR A 44 17.399 18.717 1.639 1.00 72.32 H new ATOM 0 HG1 THR A 44 17.323 16.715 2.857 1.00 11.10 H new ATOM 0 HG21 THR A 44 19.250 18.099 3.148 1.00 52.51 H new ATOM 0 HG22 THR A 44 18.993 19.859 3.108 1.00 52.51 H new ATOM 0 HG23 THR A 44 18.415 18.907 4.495 1.00 52.51 H new ATOM 634 N TRP A 45 16.864 22.160 3.145 1.00 4.45 N ATOM 635 CA TRP A 45 17.276 23.447 2.594 1.00 33.41 C ATOM 636 C TRP A 45 18.474 24.006 3.353 1.00 12.21 C ATOM 637 O TRP A 45 18.507 23.982 4.584 1.00 62.14 O ATOM 638 CB TRP A 45 16.115 24.441 2.645 1.00 74.05 C ATOM 639 CG TRP A 45 15.570 24.649 4.025 1.00 33.53 C ATOM 640 CD1 TRP A 45 14.926 23.726 4.799 1.00 14.04 C ATOM 641 CD2 TRP A 45 15.620 25.855 4.794 1.00 51.41 C ATOM 642 NE1 TRP A 45 14.572 24.287 6.003 1.00 23.20 N ATOM 643 CE2 TRP A 45 14.988 25.592 6.025 1.00 73.12 C ATOM 644 CE3 TRP A 45 16.139 27.132 4.563 1.00 1.12 C ATOM 645 CZ2 TRP A 45 14.861 26.559 7.018 1.00 1.23 C ATOM 646 CZ3 TRP A 45 16.012 28.091 5.550 1.00 4.00 C ATOM 647 CH2 TRP A 45 15.378 27.801 6.765 1.00 24.44 C ATOM 0 H TRP A 45 16.743 22.154 4.158 1.00 4.45 H new ATOM 0 HA TRP A 45 17.568 23.293 1.555 1.00 33.41 H new ATOM 0 HB2 TRP A 45 16.449 25.399 2.246 1.00 74.05 H new ATOM 0 HB3 TRP A 45 15.314 24.087 1.996 1.00 74.05 H new ATOM 0 HD1 TRP A 45 14.725 22.706 4.508 1.00 14.04 H new ATOM 0 HE1 TRP A 45 14.079 23.809 6.758 1.00 23.20 H new ATOM 0 HE3 TRP A 45 16.630 27.365 3.630 1.00 1.12 H new ATOM 0 HZ2 TRP A 45 14.372 26.337 7.955 1.00 1.23 H new ATOM 0 HZ3 TRP A 45 16.409 29.081 5.382 1.00 4.00 H new ATOM 0 HH2 TRP A 45 15.296 28.572 7.517 1.00 24.44 H new ATOM 658 N ASP A 46 19.455 24.510 2.613 1.00 60.44 N ATOM 659 CA ASP A 46 20.655 25.077 3.217 1.00 60.22 C ATOM 660 C ASP A 46 21.012 26.410 2.567 1.00 3.03 C ATOM 661 O ASP A 46 20.602 26.693 1.442 1.00 41.13 O ATOM 662 CB ASP A 46 21.827 24.102 3.087 1.00 14.13 C ATOM 663 CG ASP A 46 21.776 22.995 4.122 1.00 74.14 C ATOM 664 OD1 ASP A 46 20.995 22.040 3.930 1.00 71.44 O ATOM 665 OD2 ASP A 46 22.516 23.084 5.124 1.00 51.12 O ATOM 0 H ASP A 46 19.443 24.538 1.593 1.00 60.44 H new ATOM 0 HA ASP A 46 20.453 25.251 4.274 1.00 60.22 H new ATOM 0 HB2 ASP A 46 21.822 23.663 2.089 1.00 14.13 H new ATOM 0 HB3 ASP A 46 22.764 24.649 3.190 1.00 14.13 H new ATOM 670 N SER A 47 21.778 27.226 3.285 1.00 61.32 N ATOM 671 CA SER A 47 22.187 28.532 2.780 1.00 34.55 C ATOM 672 C SER A 47 23.553 28.451 2.107 1.00 61.42 C ATOM 673 O SER A 47 24.396 27.636 2.483 1.00 12.34 O ATOM 674 CB SER A 47 22.227 29.552 3.920 1.00 54.04 C ATOM 675 OG SER A 47 23.087 30.634 3.605 1.00 33.54 O ATOM 0 H SER A 47 22.128 27.006 4.218 1.00 61.32 H new ATOM 0 HA SER A 47 21.455 28.853 2.039 1.00 34.55 H new ATOM 0 HB2 SER A 47 21.222 29.926 4.113 1.00 54.04 H new ATOM 0 HB3 SER A 47 22.567 29.067 4.835 1.00 54.04 H new ATOM 0 HG SER A 47 22.587 31.475 3.656 1.00 33.54 H new ATOM 681 N SER A 48 23.765 29.301 1.108 1.00 54.34 N ATOM 682 CA SER A 48 25.027 29.325 0.378 1.00 73.53 C ATOM 683 C SER A 48 26.168 29.785 1.280 1.00 33.50 C ATOM 684 O SER A 48 27.341 29.644 0.936 1.00 35.13 O ATOM 685 CB SER A 48 24.920 30.246 -0.839 1.00 11.34 C ATOM 686 OG SER A 48 25.642 29.723 -1.940 1.00 52.01 O ATOM 0 H SER A 48 23.079 29.983 0.785 1.00 54.34 H new ATOM 0 HA SER A 48 25.241 28.311 0.039 1.00 73.53 H new ATOM 0 HB2 SER A 48 23.873 30.371 -1.113 1.00 11.34 H new ATOM 0 HB3 SER A 48 25.303 31.235 -0.586 1.00 11.34 H new ATOM 0 HG SER A 48 25.556 30.329 -2.705 1.00 52.01 H new ATOM 692 N ASN A 49 25.814 30.335 2.437 1.00 52.23 N ATOM 693 CA ASN A 49 26.807 30.817 3.390 1.00 42.15 C ATOM 694 C ASN A 49 27.558 32.022 2.830 1.00 62.50 C ATOM 695 O ASN A 49 27.826 32.098 1.630 1.00 2.44 O ATOM 696 CB ASN A 49 27.795 29.702 3.736 1.00 65.43 C ATOM 697 CG ASN A 49 28.555 29.980 5.018 1.00 21.45 C ATOM 698 OD1 ASN A 49 29.432 30.842 5.059 1.00 43.41 O ATOM 699 ND2 ASN A 49 28.221 29.247 6.075 1.00 55.35 N ATOM 0 H ASN A 49 24.847 30.458 2.737 1.00 52.23 H new ATOM 0 HA ASN A 49 26.285 31.125 4.296 1.00 42.15 H new ATOM 0 HB2 ASN A 49 27.256 28.760 3.834 1.00 65.43 H new ATOM 0 HB3 ASN A 49 28.503 29.580 2.916 1.00 65.43 H new ATOM 0 HD21 ASN A 49 28.698 29.389 6.965 1.00 55.35 H new ATOM 0 HD22 ASN A 49 27.487 28.543 5.996 1.00 55.35 H new ATOM 706 N THR A 50 27.896 32.961 3.708 1.00 44.35 N ATOM 707 CA THR A 50 28.616 34.162 3.302 1.00 12.22 C ATOM 708 C THR A 50 29.699 34.522 4.313 1.00 73.20 C ATOM 709 O THR A 50 30.890 34.364 4.044 1.00 74.32 O ATOM 710 CB THR A 50 27.662 35.361 3.140 1.00 31.25 C ATOM 711 OG1 THR A 50 26.494 35.169 3.946 1.00 13.42 O ATOM 712 CG2 THR A 50 27.257 35.537 1.685 1.00 52.51 C ATOM 0 H THR A 50 27.683 32.913 4.704 1.00 44.35 H new ATOM 0 HA THR A 50 29.079 33.943 2.340 1.00 12.22 H new ATOM 0 HB THR A 50 28.185 36.260 3.466 1.00 31.25 H new ATOM 0 HG1 THR A 50 26.740 34.705 4.773 1.00 13.42 H new ATOM 0 HG21 THR A 50 26.584 36.389 1.595 1.00 52.51 H new ATOM 0 HG22 THR A 50 28.146 35.711 1.078 1.00 52.51 H new ATOM 0 HG23 THR A 50 26.751 34.637 1.337 1.00 52.51 H new ATOM 720 N ASP A 51 29.278 35.005 5.477 1.00 41.45 N ATOM 721 CA ASP A 51 30.213 35.386 6.529 1.00 12.02 C ATOM 722 C ASP A 51 30.090 34.452 7.729 1.00 61.32 C ATOM 723 O ASP A 51 31.093 34.036 8.309 1.00 65.20 O ATOM 724 CB ASP A 51 29.963 36.831 6.965 1.00 61.24 C ATOM 725 CG ASP A 51 31.227 37.517 7.445 1.00 54.54 C ATOM 726 OD1 ASP A 51 32.064 37.881 6.593 1.00 61.33 O ATOM 727 OD2 ASP A 51 31.378 37.691 8.672 1.00 24.12 O ATOM 0 H ASP A 51 28.296 35.142 5.716 1.00 41.45 H new ATOM 0 HA ASP A 51 31.224 35.305 6.129 1.00 12.02 H new ATOM 0 HB2 ASP A 51 29.543 37.392 6.130 1.00 61.24 H new ATOM 0 HB3 ASP A 51 29.221 36.844 7.763 1.00 61.24 H new ATOM 732 N ILE A 52 28.855 34.127 8.095 1.00 10.04 N ATOM 733 CA ILE A 52 28.602 33.242 9.226 1.00 51.23 C ATOM 734 C ILE A 52 27.106 33.023 9.428 1.00 24.02 C ATOM 735 O ILE A 52 26.407 33.889 9.955 1.00 34.35 O ATOM 736 CB ILE A 52 29.208 33.803 10.526 1.00 32.51 C ATOM 737 CG1 ILE A 52 28.771 32.957 11.724 1.00 61.51 C ATOM 738 CG2 ILE A 52 28.797 35.255 10.719 1.00 65.23 C ATOM 739 CD1 ILE A 52 29.112 31.490 11.584 1.00 64.50 C ATOM 0 H ILE A 52 28.014 34.463 7.625 1.00 10.04 H new ATOM 0 HA ILE A 52 29.078 32.289 8.995 1.00 51.23 H new ATOM 0 HB ILE A 52 30.295 33.760 10.451 1.00 32.51 H new ATOM 0 HG12 ILE A 52 29.243 33.347 12.626 1.00 61.51 H new ATOM 0 HG13 ILE A 52 27.694 33.060 11.858 1.00 61.51 H new ATOM 0 HG21 ILE A 52 29.233 35.637 11.642 1.00 65.23 H new ATOM 0 HG22 ILE A 52 29.152 35.849 9.877 1.00 65.23 H new ATOM 0 HG23 ILE A 52 27.711 35.321 10.777 1.00 65.23 H new ATOM 0 HD11 ILE A 52 28.773 30.952 12.469 1.00 64.50 H new ATOM 0 HD12 ILE A 52 28.618 31.084 10.701 1.00 64.50 H new ATOM 0 HD13 ILE A 52 30.191 31.376 11.481 1.00 64.50 H new ATOM 751 N LEU A 53 26.623 31.860 9.008 1.00 75.45 N ATOM 752 CA LEU A 53 25.209 31.524 9.144 1.00 3.41 C ATOM 753 C LEU A 53 25.022 30.023 9.338 1.00 50.11 C ATOM 754 O LEU A 53 25.798 29.219 8.822 1.00 22.13 O ATOM 755 CB LEU A 53 24.433 31.992 7.912 1.00 34.00 C ATOM 756 CG LEU A 53 25.057 31.656 6.557 1.00 23.14 C ATOM 757 CD1 LEU A 53 24.768 30.211 6.180 1.00 4.30 C ATOM 758 CD2 LEU A 53 24.543 32.603 5.483 1.00 34.11 C ATOM 0 H LEU A 53 27.189 31.133 8.570 1.00 75.45 H new ATOM 0 HA LEU A 53 24.822 32.036 10.025 1.00 3.41 H new ATOM 0 HB2 LEU A 53 23.435 31.555 7.948 1.00 34.00 H new ATOM 0 HB3 LEU A 53 24.310 33.073 7.974 1.00 34.00 H new ATOM 0 HG LEU A 53 26.137 31.780 6.635 1.00 23.14 H new ATOM 0 HD11 LEU A 53 25.220 29.990 5.213 1.00 4.30 H new ATOM 0 HD12 LEU A 53 25.187 29.547 6.936 1.00 4.30 H new ATOM 0 HD13 LEU A 53 23.690 30.059 6.120 1.00 4.30 H new ATOM 0 HD21 LEU A 53 24.998 32.349 4.526 1.00 34.11 H new ATOM 0 HD22 LEU A 53 23.460 32.512 5.406 1.00 34.11 H new ATOM 0 HD23 LEU A 53 24.803 33.628 5.747 1.00 34.11 H new ATOM 770 N SER A 54 23.985 29.653 10.083 1.00 64.40 N ATOM 771 CA SER A 54 23.697 28.248 10.346 1.00 34.32 C ATOM 772 C SER A 54 22.201 27.970 10.232 1.00 72.14 C ATOM 773 O SER A 54 21.376 28.743 10.719 1.00 52.43 O ATOM 774 CB SER A 54 24.195 27.855 11.738 1.00 34.05 C ATOM 775 OG SER A 54 24.933 26.646 11.694 1.00 42.42 O ATOM 0 H SER A 54 23.331 30.306 10.515 1.00 64.40 H new ATOM 0 HA SER A 54 24.219 27.650 9.599 1.00 34.32 H new ATOM 0 HB2 SER A 54 24.820 28.651 12.142 1.00 34.05 H new ATOM 0 HB3 SER A 54 23.346 27.742 12.413 1.00 34.05 H new ATOM 0 HG SER A 54 25.241 26.418 12.596 1.00 42.42 H new ATOM 781 N ILE A 55 21.859 26.861 9.584 1.00 25.24 N ATOM 782 CA ILE A 55 20.464 26.480 9.406 1.00 31.33 C ATOM 783 C ILE A 55 20.154 25.173 10.129 1.00 65.25 C ATOM 784 O ILE A 55 20.909 24.205 10.032 1.00 75.40 O ATOM 785 CB ILE A 55 20.108 26.326 7.916 1.00 41.13 C ATOM 786 CG1 ILE A 55 20.881 25.157 7.302 1.00 5.21 C ATOM 787 CG2 ILE A 55 20.403 27.616 7.165 1.00 24.01 C ATOM 788 CD1 ILE A 55 20.099 23.863 7.275 1.00 22.20 C ATOM 0 H ILE A 55 22.529 26.211 9.174 1.00 25.24 H new ATOM 0 HA ILE A 55 19.861 27.281 9.834 1.00 31.33 H new ATOM 0 HB ILE A 55 19.042 26.115 7.832 1.00 41.13 H new ATOM 0 HG12 ILE A 55 21.171 25.418 6.284 1.00 5.21 H new ATOM 0 HG13 ILE A 55 21.801 25.004 7.866 1.00 5.21 H new ATOM 0 HG21 ILE A 55 20.146 27.491 6.113 1.00 24.01 H new ATOM 0 HG22 ILE A 55 19.812 28.427 7.589 1.00 24.01 H new ATOM 0 HG23 ILE A 55 21.463 27.855 7.254 1.00 24.01 H new ATOM 0 HD11 ILE A 55 20.709 23.079 6.827 1.00 22.20 H new ATOM 0 HD12 ILE A 55 19.832 23.578 8.293 1.00 22.20 H new ATOM 0 HD13 ILE A 55 19.192 23.998 6.686 1.00 22.20 H new ATOM 800 N SER A 56 19.039 25.152 10.851 1.00 0.11 N ATOM 801 CA SER A 56 18.630 23.964 11.592 1.00 50.42 C ATOM 802 C SER A 56 17.223 23.532 11.191 1.00 14.54 C ATOM 803 O SER A 56 16.245 24.221 11.479 1.00 51.51 O ATOM 804 CB SER A 56 18.685 24.232 13.097 1.00 13.30 C ATOM 805 OG SER A 56 19.549 25.316 13.391 1.00 13.31 O ATOM 0 H SER A 56 18.402 25.944 10.939 1.00 0.11 H new ATOM 0 HA SER A 56 19.322 23.158 11.349 1.00 50.42 H new ATOM 0 HB2 SER A 56 17.683 24.450 13.467 1.00 13.30 H new ATOM 0 HB3 SER A 56 19.029 23.338 13.616 1.00 13.30 H new ATOM 0 HG SER A 56 19.565 25.468 14.359 1.00 13.31 H new ATOM 811 N ASN A 57 17.129 22.386 10.526 1.00 43.05 N ATOM 812 CA ASN A 57 15.842 21.861 10.084 1.00 2.03 C ATOM 813 C ASN A 57 15.512 20.555 10.802 1.00 44.54 C ATOM 814 O ASN A 57 15.370 19.508 10.171 1.00 15.24 O ATOM 815 CB ASN A 57 15.851 21.636 8.571 1.00 43.21 C ATOM 816 CG ASN A 57 16.681 22.673 7.837 1.00 33.44 C ATOM 817 OD1 ASN A 57 17.502 22.336 6.985 1.00 43.13 O ATOM 818 ND2 ASN A 57 16.469 23.941 8.167 1.00 14.33 N ATOM 0 H ASN A 57 17.929 21.802 10.281 1.00 43.05 H new ATOM 0 HA ASN A 57 15.075 22.595 10.330 1.00 2.03 H new ATOM 0 HB2 ASN A 57 16.244 20.642 8.357 1.00 43.21 H new ATOM 0 HB3 ASN A 57 14.828 21.662 8.196 1.00 43.21 H new ATOM 0 HD21 ASN A 57 16.998 24.683 7.708 1.00 14.33 H new ATOM 0 HD22 ASN A 57 15.778 24.174 8.880 1.00 14.33 H new ATOM 825 N ALA A 58 15.393 20.627 12.123 1.00 34.22 N ATOM 826 CA ALA A 58 15.077 19.452 12.926 1.00 21.12 C ATOM 827 C ALA A 58 14.970 19.810 14.405 1.00 73.05 C ATOM 828 O ALA A 58 15.320 19.012 15.273 1.00 24.34 O ATOM 829 CB ALA A 58 16.129 18.372 12.718 1.00 54.24 C ATOM 0 H ALA A 58 15.511 21.486 12.660 1.00 34.22 H new ATOM 0 HA ALA A 58 14.110 19.070 12.600 1.00 21.12 H new ATOM 0 HB1 ALA A 58 15.880 17.500 13.324 1.00 54.24 H new ATOM 0 HB2 ALA A 58 16.155 18.087 11.666 1.00 54.24 H new ATOM 0 HB3 ALA A 58 17.106 18.754 13.015 1.00 54.24 H new ATOM 835 N SER A 59 14.484 21.015 14.683 1.00 54.40 N ATOM 836 CA SER A 59 14.335 21.481 16.057 1.00 74.22 C ATOM 837 C SER A 59 13.114 20.846 16.716 1.00 22.42 C ATOM 838 O SER A 59 12.999 20.822 17.942 1.00 71.03 O ATOM 839 CB SER A 59 14.211 23.005 16.091 1.00 50.44 C ATOM 840 OG SER A 59 15.292 23.589 16.796 1.00 3.22 O ATOM 0 H SER A 59 14.187 21.687 13.975 1.00 54.40 H new ATOM 0 HA SER A 59 15.224 21.184 16.614 1.00 74.22 H new ATOM 0 HB2 SER A 59 14.184 23.394 15.073 1.00 50.44 H new ATOM 0 HB3 SER A 59 13.270 23.286 16.564 1.00 50.44 H new ATOM 0 HG SER A 59 15.190 24.564 16.802 1.00 3.22 H new ATOM 846 N ASP A 60 12.206 20.332 15.894 1.00 30.22 N ATOM 847 CA ASP A 60 10.994 19.695 16.396 1.00 71.21 C ATOM 848 C ASP A 60 10.119 19.209 15.245 1.00 52.24 C ATOM 849 O ASP A 60 9.438 18.190 15.357 1.00 71.24 O ATOM 850 CB ASP A 60 10.207 20.668 17.275 1.00 3.14 C ATOM 851 CG ASP A 60 9.799 20.052 18.599 1.00 71.20 C ATOM 852 OD1 ASP A 60 9.313 18.901 18.593 1.00 0.23 O ATOM 853 OD2 ASP A 60 9.966 20.720 19.641 1.00 61.24 O ATOM 0 H ASP A 60 12.286 20.344 14.877 1.00 30.22 H new ATOM 0 HA ASP A 60 11.288 18.833 16.995 1.00 71.21 H new ATOM 0 HB2 ASP A 60 10.812 21.555 17.462 1.00 3.14 H new ATOM 0 HB3 ASP A 60 9.316 20.997 16.740 1.00 3.14 H new ATOM 858 N SER A 61 10.141 19.946 14.139 1.00 44.51 N ATOM 859 CA SER A 61 9.346 19.594 12.969 1.00 63.25 C ATOM 860 C SER A 61 9.548 20.610 11.849 1.00 52.04 C ATOM 861 O SER A 61 9.979 20.262 10.749 1.00 74.13 O ATOM 862 CB SER A 61 7.864 19.513 13.338 1.00 30.43 C ATOM 863 OG SER A 61 7.464 20.643 14.094 1.00 23.42 O ATOM 0 H SER A 61 10.701 20.791 14.029 1.00 44.51 H new ATOM 0 HA SER A 61 9.679 18.618 12.615 1.00 63.25 H new ATOM 0 HB2 SER A 61 7.263 19.447 12.431 1.00 30.43 H new ATOM 0 HB3 SER A 61 7.678 18.604 13.910 1.00 30.43 H new ATOM 0 HG SER A 61 6.512 20.568 14.316 1.00 23.42 H new ATOM 869 N HIS A 62 9.233 21.869 12.137 1.00 72.14 N ATOM 870 CA HIS A 62 9.379 22.937 11.155 1.00 43.54 C ATOM 871 C HIS A 62 10.845 23.330 10.993 1.00 31.23 C ATOM 872 O HIS A 62 11.630 23.237 11.936 1.00 61.12 O ATOM 873 CB HIS A 62 8.556 24.157 11.570 1.00 74.22 C ATOM 874 CG HIS A 62 8.826 24.614 12.970 1.00 32.44 C ATOM 875 ND1 HIS A 62 9.814 25.522 13.288 1.00 34.45 N ATOM 876 CD2 HIS A 62 8.229 24.284 14.140 1.00 64.42 C ATOM 877 CE1 HIS A 62 9.814 25.729 14.593 1.00 3.01 C ATOM 878 NE2 HIS A 62 8.862 24.990 15.133 1.00 0.00 N ATOM 0 H HIS A 62 8.875 22.174 13.042 1.00 72.14 H new ATOM 0 HA HIS A 62 9.011 22.568 10.197 1.00 43.54 H new ATOM 0 HB2 HIS A 62 8.765 24.977 10.882 1.00 74.22 H new ATOM 0 HB3 HIS A 62 7.496 23.921 11.472 1.00 74.22 H new ATOM 0 HD2 HIS A 62 7.408 23.594 14.268 1.00 64.42 H new ATOM 0 HE1 HIS A 62 10.480 26.390 15.127 1.00 3.01 H new ATOM 0 HE2 HIS A 62 8.634 24.950 16.126 1.00 0.00 H new ATOM 886 N GLY A 63 11.206 23.768 9.791 1.00 5.32 N ATOM 887 CA GLY A 63 12.577 24.167 9.528 1.00 11.03 C ATOM 888 C GLY A 63 12.822 25.632 9.829 1.00 41.42 C ATOM 889 O GLY A 63 11.952 26.474 9.603 1.00 12.33 O ATOM 0 H GLY A 63 10.574 23.854 8.995 1.00 5.32 H new ATOM 0 HA2 GLY A 63 13.251 23.558 10.130 1.00 11.03 H new ATOM 0 HA3 GLY A 63 12.816 23.969 8.483 1.00 11.03 H new ATOM 893 N LEU A 64 14.009 25.939 10.341 1.00 70.13 N ATOM 894 CA LEU A 64 14.366 27.313 10.675 1.00 42.33 C ATOM 895 C LEU A 64 15.842 27.576 10.393 1.00 41.22 C ATOM 896 O LEU A 64 16.673 26.674 10.491 1.00 61.13 O ATOM 897 CB LEU A 64 14.058 27.598 12.146 1.00 55.35 C ATOM 898 CG LEU A 64 12.783 26.961 12.700 1.00 71.24 C ATOM 899 CD1 LEU A 64 13.068 25.559 13.217 1.00 43.34 C ATOM 900 CD2 LEU A 64 12.189 27.827 13.801 1.00 73.31 C ATOM 0 H LEU A 64 14.740 25.255 10.534 1.00 70.13 H new ATOM 0 HA LEU A 64 13.771 27.979 10.050 1.00 42.33 H new ATOM 0 HB2 LEU A 64 14.901 27.256 12.746 1.00 55.35 H new ATOM 0 HB3 LEU A 64 13.989 28.678 12.279 1.00 55.35 H new ATOM 0 HG LEU A 64 12.056 26.887 11.891 1.00 71.24 H new ATOM 0 HD11 LEU A 64 12.149 25.121 13.607 1.00 43.34 H new ATOM 0 HD12 LEU A 64 13.447 24.941 12.403 1.00 43.34 H new ATOM 0 HD13 LEU A 64 13.812 25.609 14.012 1.00 43.34 H new ATOM 0 HD21 LEU A 64 11.282 27.358 14.183 1.00 73.31 H new ATOM 0 HD22 LEU A 64 12.912 27.933 14.610 1.00 73.31 H new ATOM 0 HD23 LEU A 64 11.947 28.811 13.399 1.00 73.31 H new ATOM 912 N ALA A 65 16.161 28.819 10.045 1.00 75.45 N ATOM 913 CA ALA A 65 17.536 29.201 9.753 1.00 44.31 C ATOM 914 C ALA A 65 17.904 30.505 10.453 1.00 12.13 C ATOM 915 O ALA A 65 17.040 31.337 10.730 1.00 52.25 O ATOM 916 CB ALA A 65 17.741 29.331 8.251 1.00 40.02 C ATOM 0 H ALA A 65 15.485 29.578 9.959 1.00 75.45 H new ATOM 0 HA ALA A 65 18.192 28.417 10.132 1.00 44.31 H new ATOM 0 HB1 ALA A 65 18.773 29.617 8.048 1.00 40.02 H new ATOM 0 HB2 ALA A 65 17.528 28.376 7.771 1.00 40.02 H new ATOM 0 HB3 ALA A 65 17.069 30.093 7.857 1.00 40.02 H new ATOM 922 N SER A 66 19.191 30.676 10.739 1.00 73.05 N ATOM 923 CA SER A 66 19.672 31.877 11.411 1.00 14.02 C ATOM 924 C SER A 66 20.897 32.444 10.701 1.00 60.13 C ATOM 925 O SER A 66 21.874 31.734 10.459 1.00 73.33 O ATOM 926 CB SER A 66 20.012 31.568 12.871 1.00 55.44 C ATOM 927 OG SER A 66 20.201 32.760 13.613 1.00 11.32 O ATOM 0 H SER A 66 19.919 29.998 10.516 1.00 73.05 H new ATOM 0 HA SER A 66 18.878 32.623 11.380 1.00 14.02 H new ATOM 0 HB2 SER A 66 19.210 30.981 13.318 1.00 55.44 H new ATOM 0 HB3 SER A 66 20.916 30.960 12.917 1.00 55.44 H new ATOM 0 HG SER A 66 20.415 32.536 14.543 1.00 11.32 H new ATOM 933 N THR A 67 20.839 33.730 10.368 1.00 35.21 N ATOM 934 CA THR A 67 21.941 34.393 9.684 1.00 4.35 C ATOM 935 C THR A 67 22.629 35.401 10.599 1.00 33.30 C ATOM 936 O THR A 67 22.011 35.947 11.514 1.00 33.31 O ATOM 937 CB THR A 67 21.460 35.117 8.413 1.00 60.34 C ATOM 938 OG1 THR A 67 22.499 35.962 7.907 1.00 64.25 O ATOM 939 CG2 THR A 67 20.219 35.948 8.700 1.00 75.33 C ATOM 0 H THR A 67 20.039 34.333 10.562 1.00 35.21 H new ATOM 0 HA THR A 67 22.652 33.616 9.403 1.00 4.35 H new ATOM 0 HB THR A 67 21.209 34.364 7.666 1.00 60.34 H new ATOM 0 HG1 THR A 67 22.329 36.888 8.179 1.00 64.25 H new ATOM 0 HG21 THR A 67 19.898 36.450 7.787 1.00 75.33 H new ATOM 0 HG22 THR A 67 19.420 35.298 9.057 1.00 75.33 H new ATOM 0 HG23 THR A 67 20.448 36.693 9.462 1.00 75.33 H new ATOM 947 N LEU A 68 23.910 35.644 10.346 1.00 20.13 N ATOM 948 CA LEU A 68 24.682 36.588 11.147 1.00 21.42 C ATOM 949 C LEU A 68 25.753 37.270 10.302 1.00 1.23 C ATOM 950 O LEU A 68 26.827 37.608 10.798 1.00 20.43 O ATOM 951 CB LEU A 68 25.331 35.870 12.332 1.00 64.23 C ATOM 952 CG LEU A 68 24.392 35.047 13.215 1.00 44.41 C ATOM 953 CD1 LEU A 68 24.191 33.658 12.631 1.00 73.13 C ATOM 954 CD2 LEU A 68 24.936 34.958 14.633 1.00 24.12 C ATOM 0 H LEU A 68 24.436 35.201 9.593 1.00 20.13 H new ATOM 0 HA LEU A 68 24.000 37.352 11.522 1.00 21.42 H new ATOM 0 HB2 LEU A 68 26.109 35.209 11.949 1.00 64.23 H new ATOM 0 HB3 LEU A 68 25.824 36.615 12.956 1.00 64.23 H new ATOM 0 HG LEU A 68 23.424 35.547 13.249 1.00 44.41 H new ATOM 0 HD11 LEU A 68 23.520 33.087 13.273 1.00 73.13 H new ATOM 0 HD12 LEU A 68 23.756 33.742 11.635 1.00 73.13 H new ATOM 0 HD13 LEU A 68 25.152 33.148 12.566 1.00 73.13 H new ATOM 0 HD21 LEU A 68 24.255 34.369 15.248 1.00 24.12 H new ATOM 0 HD22 LEU A 68 25.916 34.481 14.617 1.00 24.12 H new ATOM 0 HD23 LEU A 68 25.027 35.960 15.051 1.00 24.12 H new ATOM 966 N ASN A 69 25.451 37.472 9.024 1.00 63.12 N ATOM 967 CA ASN A 69 26.388 38.116 8.110 1.00 52.11 C ATOM 968 C ASN A 69 25.782 39.384 7.515 1.00 61.44 C ATOM 969 O ASN A 69 24.617 39.698 7.755 1.00 72.30 O ATOM 970 CB ASN A 69 26.784 37.152 6.990 1.00 44.21 C ATOM 971 CG ASN A 69 25.616 36.800 6.090 1.00 61.24 C ATOM 972 OD1 ASN A 69 25.409 37.424 5.049 1.00 3.52 O ATOM 973 ND2 ASN A 69 24.845 35.794 6.487 1.00 1.34 N ATOM 0 H ASN A 69 24.565 37.199 8.598 1.00 63.12 H new ATOM 0 HA ASN A 69 27.279 38.391 8.675 1.00 52.11 H new ATOM 0 HB2 ASN A 69 27.577 37.600 6.392 1.00 44.21 H new ATOM 0 HB3 ASN A 69 27.191 36.240 7.426 1.00 44.21 H new ATOM 0 HD21 ASN A 69 24.045 35.511 5.922 1.00 1.34 H new ATOM 0 HD22 ASN A 69 25.053 35.304 7.357 1.00 1.34 H new ATOM 980 N GLN A 70 26.582 40.106 6.737 1.00 52.12 N ATOM 981 CA GLN A 70 26.124 41.339 6.107 1.00 2.23 C ATOM 982 C GLN A 70 26.352 41.298 4.600 1.00 61.11 C ATOM 983 O GLN A 70 27.176 42.040 4.066 1.00 73.51 O ATOM 984 CB GLN A 70 26.847 42.544 6.712 1.00 44.04 C ATOM 985 CG GLN A 70 26.828 42.566 8.231 1.00 33.05 C ATOM 986 CD GLN A 70 28.218 42.521 8.834 1.00 41.52 C ATOM 987 OE1 GLN A 70 28.956 41.553 8.649 1.00 5.53 O ATOM 988 NE2 GLN A 70 28.583 43.572 9.559 1.00 2.12 N ATOM 0 H GLN A 70 27.549 39.859 6.528 1.00 52.12 H new ATOM 0 HA GLN A 70 25.054 41.436 6.291 1.00 2.23 H new ATOM 0 HB2 GLN A 70 27.882 42.545 6.370 1.00 44.04 H new ATOM 0 HB3 GLN A 70 26.387 43.459 6.338 1.00 44.04 H new ATOM 0 HG2 GLN A 70 26.318 43.467 8.571 1.00 33.05 H new ATOM 0 HG3 GLN A 70 26.251 41.716 8.595 1.00 33.05 H new ATOM 0 HE21 GLN A 70 27.939 44.353 9.686 1.00 2.12 H new ATOM 0 HE22 GLN A 70 29.508 43.599 9.989 1.00 2.12 H new ATOM 997 N GLY A 71 25.616 40.425 3.919 1.00 64.45 N ATOM 998 CA GLY A 71 25.754 40.303 2.479 1.00 33.50 C ATOM 999 C GLY A 71 24.590 39.566 1.846 1.00 53.41 C ATOM 1000 O GLY A 71 23.501 39.506 2.416 1.00 23.41 O ATOM 0 H GLY A 71 24.927 39.800 4.338 1.00 64.45 H new ATOM 0 HA2 GLY A 71 25.833 41.297 2.039 1.00 33.50 H new ATOM 0 HA3 GLY A 71 26.681 39.778 2.249 1.00 33.50 H new ATOM 1004 N ASN A 72 24.819 39.007 0.662 1.00 33.13 N ATOM 1005 CA ASN A 72 23.779 38.273 -0.050 1.00 61.02 C ATOM 1006 C ASN A 72 24.099 36.782 -0.095 1.00 45.05 C ATOM 1007 O ASN A 72 25.227 36.387 -0.394 1.00 74.11 O ATOM 1008 CB ASN A 72 23.625 38.816 -1.472 1.00 44.42 C ATOM 1009 CG ASN A 72 24.915 39.409 -2.007 1.00 71.22 C ATOM 1010 OD1 ASN A 72 25.673 38.741 -2.710 1.00 24.41 O ATOM 1011 ND2 ASN A 72 25.169 40.669 -1.676 1.00 11.43 N ATOM 0 H ASN A 72 25.715 39.048 0.176 1.00 33.13 H new ATOM 0 HA ASN A 72 22.841 38.409 0.487 1.00 61.02 H new ATOM 0 HB2 ASN A 72 23.297 38.013 -2.131 1.00 44.42 H new ATOM 0 HB3 ASN A 72 22.845 39.578 -1.485 1.00 44.42 H new ATOM 0 HD21 ASN A 72 26.021 41.121 -2.007 1.00 11.43 H new ATOM 0 HD22 ASN A 72 24.512 41.185 -1.091 1.00 11.43 H new ATOM 1018 N VAL A 73 23.100 35.958 0.203 1.00 52.15 N ATOM 1019 CA VAL A 73 23.274 34.511 0.194 1.00 32.43 C ATOM 1020 C VAL A 73 22.181 33.830 -0.623 1.00 1.33 C ATOM 1021 O VAL A 73 21.142 34.426 -0.909 1.00 23.10 O ATOM 1022 CB VAL A 73 23.264 33.936 1.623 1.00 31.04 C ATOM 1023 CG1 VAL A 73 23.928 32.568 1.654 1.00 61.14 C ATOM 1024 CG2 VAL A 73 23.951 34.893 2.586 1.00 35.55 C ATOM 0 H VAL A 73 22.161 36.268 0.454 1.00 52.15 H new ATOM 0 HA VAL A 73 24.243 34.312 -0.264 1.00 32.43 H new ATOM 0 HB VAL A 73 22.228 33.817 1.941 1.00 31.04 H new ATOM 0 HG11 VAL A 73 23.911 32.178 2.672 1.00 61.14 H new ATOM 0 HG12 VAL A 73 23.389 31.887 0.996 1.00 61.14 H new ATOM 0 HG13 VAL A 73 24.961 32.657 1.317 1.00 61.14 H new ATOM 0 HG21 VAL A 73 23.935 34.472 3.591 1.00 35.55 H new ATOM 0 HG22 VAL A 73 24.984 35.045 2.273 1.00 35.55 H new ATOM 0 HG23 VAL A 73 23.427 35.849 2.585 1.00 35.55 H new ATOM 1034 N LYS A 74 22.422 32.578 -0.996 1.00 10.02 N ATOM 1035 CA LYS A 74 21.458 31.814 -1.779 1.00 65.30 C ATOM 1036 C LYS A 74 20.805 30.729 -0.929 1.00 15.10 C ATOM 1037 O LYS A 74 21.489 29.916 -0.308 1.00 62.44 O ATOM 1038 CB LYS A 74 22.144 31.182 -2.993 1.00 34.43 C ATOM 1039 CG LYS A 74 21.185 30.829 -4.117 1.00 42.11 C ATOM 1040 CD LYS A 74 20.592 29.443 -3.930 1.00 34.02 C ATOM 1041 CE LYS A 74 21.639 28.357 -4.125 1.00 13.24 C ATOM 1042 NZ LYS A 74 21.194 27.327 -5.104 1.00 43.30 N ATOM 0 H LYS A 74 23.277 32.070 -0.769 1.00 10.02 H new ATOM 0 HA LYS A 74 20.682 32.498 -2.122 1.00 65.30 H new ATOM 0 HB2 LYS A 74 22.899 31.871 -3.373 1.00 34.43 H new ATOM 0 HB3 LYS A 74 22.667 30.280 -2.676 1.00 34.43 H new ATOM 0 HG2 LYS A 74 20.383 31.566 -4.157 1.00 42.11 H new ATOM 0 HG3 LYS A 74 21.709 30.876 -5.072 1.00 42.11 H new ATOM 0 HD2 LYS A 74 20.163 29.361 -2.931 1.00 34.02 H new ATOM 0 HD3 LYS A 74 19.777 29.296 -4.639 1.00 34.02 H new ATOM 0 HE2 LYS A 74 22.570 28.808 -4.470 1.00 13.24 H new ATOM 0 HE3 LYS A 74 21.851 27.881 -3.168 1.00 13.24 H new ATOM 0 HZ1 LYS A 74 21.607 26.407 -4.851 1.00 43.30 H new ATOM 0 HZ2 LYS A 74 20.156 27.257 -5.087 1.00 43.30 H new ATOM 0 HZ3 LYS A 74 21.507 27.597 -6.058 1.00 43.30 H new ATOM 1056 N VAL A 75 19.475 30.722 -0.906 1.00 44.23 N ATOM 1057 CA VAL A 75 18.729 29.736 -0.135 1.00 21.35 C ATOM 1058 C VAL A 75 17.978 28.775 -1.050 1.00 45.20 C ATOM 1059 O VAL A 75 17.110 29.185 -1.821 1.00 34.23 O ATOM 1060 CB VAL A 75 17.724 30.411 0.817 1.00 2.15 C ATOM 1061 CG1 VAL A 75 16.924 29.365 1.579 1.00 51.43 C ATOM 1062 CG2 VAL A 75 18.445 31.345 1.777 1.00 5.33 C ATOM 0 H VAL A 75 18.893 31.389 -1.413 1.00 44.23 H new ATOM 0 HA VAL A 75 19.458 29.178 0.453 1.00 21.35 H new ATOM 0 HB VAL A 75 17.029 31.003 0.222 1.00 2.15 H new ATOM 0 HG11 VAL A 75 16.219 29.861 2.246 1.00 51.43 H new ATOM 0 HG12 VAL A 75 16.377 28.740 0.873 1.00 51.43 H new ATOM 0 HG13 VAL A 75 17.602 28.744 2.164 1.00 51.43 H new ATOM 0 HG21 VAL A 75 17.720 31.813 2.442 1.00 5.33 H new ATOM 0 HG22 VAL A 75 19.164 30.776 2.367 1.00 5.33 H new ATOM 0 HG23 VAL A 75 18.968 32.115 1.211 1.00 5.33 H new ATOM 1072 N THR A 76 18.319 27.493 -0.961 1.00 12.14 N ATOM 1073 CA THR A 76 17.678 26.473 -1.781 1.00 10.10 C ATOM 1074 C THR A 76 16.952 25.449 -0.917 1.00 32.42 C ATOM 1075 O THR A 76 17.435 25.068 0.149 1.00 31.20 O ATOM 1076 CB THR A 76 18.701 25.744 -2.671 1.00 65.44 C ATOM 1077 OG1 THR A 76 19.963 26.419 -2.622 1.00 23.45 O ATOM 1078 CG2 THR A 76 18.214 25.674 -4.111 1.00 2.42 C ATOM 0 H THR A 76 19.036 27.137 -0.329 1.00 12.14 H new ATOM 0 HA THR A 76 16.955 26.986 -2.416 1.00 10.10 H new ATOM 0 HB THR A 76 18.818 24.728 -2.294 1.00 65.44 H new ATOM 0 HG1 THR A 76 20.646 25.867 -3.056 1.00 23.45 H new ATOM 0 HG21 THR A 76 18.954 25.155 -4.720 1.00 2.42 H new ATOM 0 HG22 THR A 76 17.268 25.134 -4.149 1.00 2.42 H new ATOM 0 HG23 THR A 76 18.071 26.684 -4.496 1.00 2.42 H new ATOM 1086 N ALA A 77 15.789 25.005 -1.384 1.00 1.54 N ATOM 1087 CA ALA A 77 14.998 24.023 -0.654 1.00 73.51 C ATOM 1088 C ALA A 77 14.527 22.903 -1.576 1.00 62.12 C ATOM 1089 O ALA A 77 14.148 23.147 -2.722 1.00 2.24 O ATOM 1090 CB ALA A 77 13.807 24.694 0.014 1.00 41.21 C ATOM 0 H ALA A 77 15.374 25.310 -2.265 1.00 1.54 H new ATOM 0 HA ALA A 77 15.632 23.583 0.116 1.00 73.51 H new ATOM 0 HB1 ALA A 77 13.226 23.948 0.555 1.00 41.21 H new ATOM 0 HB2 ALA A 77 14.161 25.454 0.711 1.00 41.21 H new ATOM 0 HB3 ALA A 77 13.180 25.162 -0.745 1.00 41.21 H new ATOM 1096 N SER A 78 14.555 21.674 -1.070 1.00 12.33 N ATOM 1097 CA SER A 78 14.135 20.516 -1.850 1.00 2.10 C ATOM 1098 C SER A 78 13.511 19.453 -0.951 1.00 54.04 C ATOM 1099 O SER A 78 14.015 19.169 0.135 1.00 1.24 O ATOM 1100 CB SER A 78 15.327 19.925 -2.606 1.00 53.20 C ATOM 1101 OG SER A 78 15.947 20.902 -3.424 1.00 73.14 O ATOM 0 H SER A 78 14.864 21.455 -0.123 1.00 12.33 H new ATOM 0 HA SER A 78 13.385 20.845 -2.569 1.00 2.10 H new ATOM 0 HB2 SER A 78 16.052 19.528 -1.895 1.00 53.20 H new ATOM 0 HB3 SER A 78 14.993 19.089 -3.221 1.00 53.20 H new ATOM 0 HG SER A 78 16.706 20.500 -3.895 1.00 73.14 H new ATOM 1107 N ILE A 79 12.410 18.869 -1.413 1.00 41.24 N ATOM 1108 CA ILE A 79 11.717 17.837 -0.653 1.00 32.11 C ATOM 1109 C ILE A 79 11.255 16.702 -1.561 1.00 24.24 C ATOM 1110 O ILE A 79 10.350 16.874 -2.376 1.00 23.31 O ATOM 1111 CB ILE A 79 10.498 18.410 0.093 1.00 14.51 C ATOM 1112 CG1 ILE A 79 9.699 17.284 0.752 1.00 22.21 C ATOM 1113 CG2 ILE A 79 9.617 19.203 -0.862 1.00 21.24 C ATOM 1114 CD1 ILE A 79 9.270 17.596 2.169 1.00 61.23 C ATOM 0 H ILE A 79 11.979 19.093 -2.310 1.00 41.24 H new ATOM 0 HA ILE A 79 12.430 17.450 0.075 1.00 32.11 H new ATOM 0 HB ILE A 79 10.853 19.083 0.874 1.00 14.51 H new ATOM 0 HG12 ILE A 79 8.814 17.077 0.150 1.00 22.21 H new ATOM 0 HG13 ILE A 79 10.302 16.376 0.755 1.00 22.21 H new ATOM 0 HG21 ILE A 79 8.760 19.602 -0.320 1.00 21.24 H new ATOM 0 HG22 ILE A 79 10.191 20.026 -1.288 1.00 21.24 H new ATOM 0 HG23 ILE A 79 9.269 18.550 -1.663 1.00 21.24 H new ATOM 0 HD11 ILE A 79 8.708 16.754 2.573 1.00 61.23 H new ATOM 0 HD12 ILE A 79 10.151 17.774 2.785 1.00 61.23 H new ATOM 0 HD13 ILE A 79 8.641 18.486 2.171 1.00 61.23 H new ATOM 1126 N GLY A 80 11.884 15.539 -1.412 1.00 12.41 N ATOM 1127 CA GLY A 80 11.523 14.392 -2.224 1.00 30.14 C ATOM 1128 C GLY A 80 11.852 14.592 -3.690 1.00 14.43 C ATOM 1129 O GLY A 80 12.937 14.235 -4.144 1.00 64.12 O ATOM 0 H GLY A 80 12.636 15.372 -0.744 1.00 12.41 H new ATOM 0 HA2 GLY A 80 12.046 13.510 -1.855 1.00 30.14 H new ATOM 0 HA3 GLY A 80 10.456 14.197 -2.118 1.00 30.14 H new ATOM 1133 N GLY A 81 10.909 15.165 -4.433 1.00 64.10 N ATOM 1134 CA GLY A 81 11.123 15.401 -5.849 1.00 31.40 C ATOM 1135 C GLY A 81 11.176 16.877 -6.190 1.00 33.34 C ATOM 1136 O GLY A 81 12.254 17.435 -6.395 1.00 20.31 O ATOM 0 H GLY A 81 10.002 15.469 -4.080 1.00 64.10 H new ATOM 0 HA2 GLY A 81 12.055 14.927 -6.156 1.00 31.40 H new ATOM 0 HA3 GLY A 81 10.322 14.928 -6.418 1.00 31.40 H new ATOM 1140 N ILE A 82 10.009 17.510 -6.251 1.00 44.15 N ATOM 1141 CA ILE A 82 9.928 18.930 -6.570 1.00 53.04 C ATOM 1142 C ILE A 82 10.853 19.748 -5.676 1.00 51.31 C ATOM 1143 O ILE A 82 11.061 19.413 -4.511 1.00 21.15 O ATOM 1144 CB ILE A 82 8.489 19.459 -6.422 1.00 32.43 C ATOM 1145 CG1 ILE A 82 7.551 18.725 -7.382 1.00 72.42 C ATOM 1146 CG2 ILE A 82 8.447 20.958 -6.674 1.00 52.31 C ATOM 1147 CD1 ILE A 82 7.844 18.999 -8.841 1.00 20.14 C ATOM 0 H ILE A 82 9.108 17.062 -6.084 1.00 44.15 H new ATOM 0 HA ILE A 82 10.241 19.038 -7.608 1.00 53.04 H new ATOM 0 HB ILE A 82 8.152 19.273 -5.402 1.00 32.43 H new ATOM 0 HG12 ILE A 82 7.625 17.653 -7.200 1.00 72.42 H new ATOM 0 HG13 ILE A 82 6.523 19.015 -7.166 1.00 72.42 H new ATOM 0 HG21 ILE A 82 7.423 21.317 -6.566 1.00 52.31 H new ATOM 0 HG22 ILE A 82 9.088 21.466 -5.953 1.00 52.31 H new ATOM 0 HG23 ILE A 82 8.800 21.167 -7.684 1.00 52.31 H new ATOM 0 HD11 ILE A 82 7.141 18.446 -9.463 1.00 20.14 H new ATOM 0 HD12 ILE A 82 7.742 20.066 -9.038 1.00 20.14 H new ATOM 0 HD13 ILE A 82 8.861 18.682 -9.074 1.00 20.14 H new ATOM 1159 N GLN A 83 11.404 20.824 -6.230 1.00 75.30 N ATOM 1160 CA GLN A 83 12.306 21.691 -5.482 1.00 32.24 C ATOM 1161 C GLN A 83 12.169 23.140 -5.935 1.00 55.51 C ATOM 1162 O GLN A 83 11.627 23.418 -7.004 1.00 50.32 O ATOM 1163 CB GLN A 83 13.753 21.225 -5.652 1.00 51.43 C ATOM 1164 CG GLN A 83 14.358 21.600 -6.996 1.00 31.13 C ATOM 1165 CD GLN A 83 15.760 21.053 -7.177 1.00 1.00 C ATOM 1166 OE1 GLN A 83 15.991 20.163 -7.996 1.00 53.01 O ATOM 1167 NE2 GLN A 83 16.706 21.584 -6.412 1.00 5.14 N ATOM 0 H GLN A 83 11.241 21.116 -7.194 1.00 75.30 H new ATOM 0 HA GLN A 83 12.035 21.632 -4.428 1.00 32.24 H new ATOM 0 HB2 GLN A 83 14.361 21.656 -4.856 1.00 51.43 H new ATOM 0 HB3 GLN A 83 13.794 20.142 -5.534 1.00 51.43 H new ATOM 0 HG2 GLN A 83 13.719 21.224 -7.795 1.00 31.13 H new ATOM 0 HG3 GLN A 83 14.381 22.686 -7.090 1.00 31.13 H new ATOM 0 HE21 GLN A 83 16.470 22.320 -5.746 1.00 5.14 H new ATOM 0 HE22 GLN A 83 17.669 21.256 -6.490 1.00 5.14 H new ATOM 1176 N GLY A 84 12.663 24.062 -5.114 1.00 31.13 N ATOM 1177 CA GLY A 84 12.585 25.472 -5.448 1.00 11.02 C ATOM 1178 C GLY A 84 13.777 26.256 -4.935 1.00 54.11 C ATOM 1179 O GLY A 84 14.580 25.740 -4.159 1.00 2.05 O ATOM 0 H GLY A 84 13.116 23.857 -4.223 1.00 31.13 H new ATOM 0 HA2 GLY A 84 12.520 25.583 -6.530 1.00 11.02 H new ATOM 0 HA3 GLY A 84 11.670 25.892 -5.029 1.00 11.02 H new ATOM 1183 N SER A 85 13.893 27.506 -5.371 1.00 55.25 N ATOM 1184 CA SER A 85 14.998 28.361 -4.956 1.00 2.40 C ATOM 1185 C SER A 85 14.484 29.703 -4.443 1.00 41.34 C ATOM 1186 O SER A 85 13.388 30.139 -4.798 1.00 30.23 O ATOM 1187 CB SER A 85 15.964 28.584 -6.121 1.00 64.11 C ATOM 1188 OG SER A 85 15.298 28.463 -7.366 1.00 64.01 O ATOM 0 H SER A 85 13.235 27.949 -6.012 1.00 55.25 H new ATOM 0 HA SER A 85 15.527 27.860 -4.145 1.00 2.40 H new ATOM 0 HB2 SER A 85 16.414 29.574 -6.040 1.00 64.11 H new ATOM 0 HB3 SER A 85 16.776 27.859 -6.068 1.00 64.11 H new ATOM 0 HG SER A 85 15.937 28.612 -8.094 1.00 64.01 H new ATOM 1194 N THR A 86 15.284 30.356 -3.606 1.00 23.33 N ATOM 1195 CA THR A 86 14.912 31.647 -3.042 1.00 54.14 C ATOM 1196 C THR A 86 16.134 32.538 -2.853 1.00 61.12 C ATOM 1197 O THR A 86 17.253 32.048 -2.700 1.00 1.05 O ATOM 1198 CB THR A 86 14.195 31.484 -1.689 1.00 20.23 C ATOM 1199 OG1 THR A 86 13.438 30.269 -1.679 1.00 33.43 O ATOM 1200 CG2 THR A 86 13.274 32.664 -1.418 1.00 73.33 C ATOM 0 H THR A 86 16.195 30.011 -3.304 1.00 23.33 H new ATOM 0 HA THR A 86 14.230 32.116 -3.751 1.00 54.14 H new ATOM 0 HB THR A 86 14.951 31.447 -0.905 1.00 20.23 H new ATOM 0 HG1 THR A 86 13.390 29.921 -0.764 1.00 33.43 H new ATOM 0 HG21 THR A 86 12.779 32.526 -0.457 1.00 73.33 H new ATOM 0 HG22 THR A 86 13.858 33.584 -1.396 1.00 73.33 H new ATOM 0 HG23 THR A 86 12.524 32.729 -2.206 1.00 73.33 H new ATOM 1208 N ASP A 87 15.913 33.848 -2.865 1.00 22.33 N ATOM 1209 CA ASP A 87 16.998 34.807 -2.692 1.00 54.54 C ATOM 1210 C ASP A 87 16.936 35.455 -1.312 1.00 62.34 C ATOM 1211 O ASP A 87 15.905 35.999 -0.916 1.00 23.44 O ATOM 1212 CB ASP A 87 16.932 35.883 -3.777 1.00 41.54 C ATOM 1213 CG ASP A 87 17.788 37.091 -3.448 1.00 60.30 C ATOM 1214 OD1 ASP A 87 18.974 36.901 -3.105 1.00 54.14 O ATOM 1215 OD2 ASP A 87 17.272 38.225 -3.532 1.00 40.00 O ATOM 0 H ASP A 87 14.993 34.270 -2.993 1.00 22.33 H new ATOM 0 HA ASP A 87 17.943 34.270 -2.779 1.00 54.54 H new ATOM 0 HB2 ASP A 87 17.258 35.458 -4.726 1.00 41.54 H new ATOM 0 HB3 ASP A 87 15.897 36.200 -3.908 1.00 41.54 H new ATOM 1220 N PHE A 88 18.046 35.391 -0.585 1.00 4.32 N ATOM 1221 CA PHE A 88 18.118 35.969 0.752 1.00 3.31 C ATOM 1222 C PHE A 88 19.316 36.906 0.876 1.00 42.43 C ATOM 1223 O PHE A 88 20.457 36.510 0.637 1.00 60.12 O ATOM 1224 CB PHE A 88 18.211 34.863 1.805 1.00 65.22 C ATOM 1225 CG PHE A 88 18.956 35.274 3.043 1.00 44.15 C ATOM 1226 CD1 PHE A 88 18.512 36.336 3.813 1.00 5.35 C ATOM 1227 CD2 PHE A 88 20.101 34.599 3.435 1.00 70.23 C ATOM 1228 CE1 PHE A 88 19.195 36.717 4.953 1.00 4.13 C ATOM 1229 CE2 PHE A 88 20.788 34.975 4.574 1.00 73.24 C ATOM 1230 CZ PHE A 88 20.335 36.036 5.333 1.00 22.01 C ATOM 0 H PHE A 88 18.908 34.945 -0.899 1.00 4.32 H new ATOM 0 HA PHE A 88 17.209 36.546 0.920 1.00 3.31 H new ATOM 0 HB2 PHE A 88 17.204 34.552 2.083 1.00 65.22 H new ATOM 0 HB3 PHE A 88 18.703 33.995 1.366 1.00 65.22 H new ATOM 0 HD1 PHE A 88 17.622 36.873 3.520 1.00 5.35 H new ATOM 0 HD2 PHE A 88 20.461 33.770 2.844 1.00 70.23 H new ATOM 0 HE1 PHE A 88 18.838 37.546 5.546 1.00 4.13 H new ATOM 0 HE2 PHE A 88 21.678 34.440 4.870 1.00 73.24 H new ATOM 0 HZ PHE A 88 20.871 36.333 6.222 1.00 22.01 H new ATOM 1240 N LYS A 89 19.048 38.153 1.250 1.00 23.22 N ATOM 1241 CA LYS A 89 20.102 39.148 1.407 1.00 40.41 C ATOM 1242 C LYS A 89 20.006 39.832 2.767 1.00 45.31 C ATOM 1243 O LYS A 89 19.044 40.546 3.048 1.00 54.23 O ATOM 1244 CB LYS A 89 20.015 40.193 0.292 1.00 62.23 C ATOM 1245 CG LYS A 89 20.976 41.355 0.471 1.00 44.13 C ATOM 1246 CD LYS A 89 21.607 41.766 -0.849 1.00 70.33 C ATOM 1247 CE LYS A 89 21.281 43.210 -1.198 1.00 34.14 C ATOM 1248 NZ LYS A 89 22.293 43.801 -2.116 1.00 54.22 N ATOM 0 H LYS A 89 18.109 38.498 1.450 1.00 23.22 H new ATOM 0 HA LYS A 89 21.063 38.637 1.344 1.00 40.41 H new ATOM 0 HB2 LYS A 89 20.217 39.710 -0.664 1.00 62.23 H new ATOM 0 HB3 LYS A 89 18.997 40.579 0.246 1.00 62.23 H new ATOM 0 HG2 LYS A 89 20.445 42.204 0.901 1.00 44.13 H new ATOM 0 HG3 LYS A 89 21.758 41.076 1.178 1.00 44.13 H new ATOM 0 HD2 LYS A 89 22.688 41.640 -0.791 1.00 70.33 H new ATOM 0 HD3 LYS A 89 21.251 41.110 -1.643 1.00 70.33 H new ATOM 0 HE2 LYS A 89 20.297 43.258 -1.664 1.00 34.14 H new ATOM 0 HE3 LYS A 89 21.230 43.802 -0.284 1.00 34.14 H new ATOM 0 HZ1 LYS A 89 22.035 44.786 -2.330 1.00 54.22 H new ATOM 0 HZ2 LYS A 89 23.228 43.779 -1.662 1.00 54.22 H new ATOM 0 HZ3 LYS A 89 22.324 43.252 -2.999 1.00 54.22 H new ATOM 1262 N VAL A 90 21.012 39.611 3.608 1.00 71.42 N ATOM 1263 CA VAL A 90 21.042 40.208 4.938 1.00 62.25 C ATOM 1264 C VAL A 90 21.973 41.414 4.977 1.00 3.21 C ATOM 1265 O VAL A 90 23.143 41.323 4.603 1.00 22.11 O ATOM 1266 CB VAL A 90 21.495 39.189 6.000 1.00 33.22 C ATOM 1267 CG1 VAL A 90 22.751 38.463 5.544 1.00 44.53 C ATOM 1268 CG2 VAL A 90 21.723 39.879 7.336 1.00 2.14 C ATOM 0 H VAL A 90 21.817 39.023 3.392 1.00 71.42 H new ATOM 0 HA VAL A 90 20.025 40.530 5.164 1.00 62.25 H new ATOM 0 HB VAL A 90 20.705 38.449 6.129 1.00 33.22 H new ATOM 0 HG11 VAL A 90 23.055 37.747 6.308 1.00 44.53 H new ATOM 0 HG12 VAL A 90 22.548 37.935 4.612 1.00 44.53 H new ATOM 0 HG13 VAL A 90 23.551 39.186 5.384 1.00 44.53 H new ATOM 0 HG21 VAL A 90 22.043 39.144 8.075 1.00 2.14 H new ATOM 0 HG22 VAL A 90 22.494 40.641 7.225 1.00 2.14 H new ATOM 0 HG23 VAL A 90 20.796 40.347 7.667 1.00 2.14 H new ATOM 1278 N THR A 91 21.447 42.547 5.434 1.00 60.45 N ATOM 1279 CA THR A 91 22.230 43.772 5.522 1.00 42.42 C ATOM 1280 C THR A 91 22.784 43.971 6.928 1.00 14.32 C ATOM 1281 O THR A 91 22.457 43.218 7.845 1.00 10.20 O ATOM 1282 CB THR A 91 21.391 45.004 5.134 1.00 41.44 C ATOM 1283 OG1 THR A 91 20.216 44.594 4.426 1.00 33.54 O ATOM 1284 CG2 THR A 91 22.200 45.960 4.270 1.00 4.33 C ATOM 0 H THR A 91 20.481 42.640 5.749 1.00 60.45 H new ATOM 0 HA THR A 91 23.057 43.669 4.820 1.00 42.42 H new ATOM 0 HB THR A 91 21.102 45.521 6.049 1.00 41.44 H new ATOM 0 HG1 THR A 91 19.687 45.383 4.185 1.00 33.54 H new ATOM 0 HG21 THR A 91 21.586 46.822 4.009 1.00 4.33 H new ATOM 0 HG22 THR A 91 23.079 46.294 4.822 1.00 4.33 H new ATOM 0 HG23 THR A 91 22.515 45.450 3.360 1.00 4.33 H new ATOM 1292 N GLN A 92 23.622 44.990 7.091 1.00 71.22 N ATOM 1293 CA GLN A 92 24.220 45.287 8.387 1.00 62.31 C ATOM 1294 C GLN A 92 23.256 46.080 9.263 1.00 42.24 C ATOM 1295 O GLN A 92 23.638 46.600 10.312 1.00 61.12 O ATOM 1296 CB GLN A 92 25.523 46.068 8.204 1.00 33.21 C ATOM 1297 CG GLN A 92 25.312 47.511 7.775 1.00 74.32 C ATOM 1298 CD GLN A 92 26.554 48.124 7.160 1.00 1.43 C ATOM 1299 OE1 GLN A 92 27.183 49.004 7.750 1.00 21.52 O ATOM 1300 NE2 GLN A 92 26.915 47.663 5.969 1.00 42.24 N ATOM 0 H GLN A 92 23.902 45.623 6.342 1.00 71.22 H new ATOM 0 HA GLN A 92 24.438 44.341 8.884 1.00 62.31 H new ATOM 0 HB2 GLN A 92 26.080 46.054 9.141 1.00 33.21 H new ATOM 0 HB3 GLN A 92 26.138 45.563 7.460 1.00 33.21 H new ATOM 0 HG2 GLN A 92 24.495 47.556 7.055 1.00 74.32 H new ATOM 0 HG3 GLN A 92 25.009 48.102 8.639 1.00 74.32 H new ATOM 0 HE21 GLN A 92 26.365 46.933 5.516 1.00 42.24 H new ATOM 0 HE22 GLN A 92 27.743 48.038 5.506 1.00 42.24 H new