USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 644 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 THR OG1 : rot -179:sc= -0.951 USER MOD Set 1.3: A 69 ASN : amide:sc= -1.57 K(o=-2.5,f=-4.5) USER MOD Set 2.1: A 37 SER OG : rot 81:sc= 0.431 USER MOD Set 2.2: A 40 THR OG1 : rot 77:sc= 0.262 USER MOD Set 3.1: A 22 GLN : amide:sc= -1.61 K(o=-1.7,f=-6.1!) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.0581 X(o=-1.7,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= -2.42! (180deg=-5.34!) USER MOD Single : A 7 SER OG : rot 180:sc= -1.54 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 -67:sc= 0.0778! USER MOD Single : A 14 ASN : amide:sc= -0.293 K(o=-0.29,f=-0.98) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 87:sc= 0.416 USER MOD Single : A 34 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.5!) USER MOD Single : A 42 GLN : amide:sc=-0.000261 X(o=-0.00026,f=-0.18) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 160:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.03! C(o=-2!,f=-3.2!) 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= -2.39! C(o=-2.4!,f=-4.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0705 K(o=-0.07,f=-0.94) USER MOD Single : A 66 SER OG : rot 180:sc= -0.537 USER MOD Single : A 67 THR OG1 : rot 147:sc= 1.98 USER MOD Single : A 70 GLN : amide:sc= -0.0762 K(o=-0.076,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.0255 X(o=-0.025,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= -0.12 (180deg=-0.539) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.36) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.75 USER MOD Single : A 89 LYS NZ :NH3+ 166:sc=-0.00555 (180deg=-0.083) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.020 1.826 -4.577 1.00 73.50 N ATOM 2 CA MET A 1 5.850 2.372 -3.236 1.00 3.33 C ATOM 3 C MET A 1 6.200 1.332 -2.176 1.00 44.14 C ATOM 4 O MET A 1 7.106 1.519 -1.364 1.00 3.21 O ATOM 5 CB MET A 1 4.413 2.856 -3.037 1.00 34.12 C ATOM 6 CG MET A 1 4.302 4.354 -2.803 1.00 62.10 C ATOM 7 SD MET A 1 2.592 4.920 -2.720 1.00 62.24 S ATOM 8 CE MET A 1 2.638 6.302 -3.859 1.00 34.31 C ATOM 0 H1 MET A 1 6.699 2.409 -5.106 1.00 73.50 H new ATOM 0 H2 MET A 1 6.377 0.851 -4.512 1.00 73.50 H new ATOM 0 H3 MET A 1 5.105 1.827 -5.071 1.00 73.50 H new ATOM 0 HA MET A 1 6.529 3.218 -3.127 1.00 3.33 H new ATOM 0 HB2 MET A 1 3.824 2.589 -3.914 1.00 34.12 H new ATOM 0 HB3 MET A 1 3.976 2.331 -2.188 1.00 34.12 H new ATOM 0 HG2 MET A 1 4.811 4.611 -1.874 1.00 62.10 H new ATOM 0 HG3 MET A 1 4.817 4.882 -3.606 1.00 62.10 H new ATOM 0 HE1 MET A 1 1.650 6.759 -3.917 1.00 34.31 H new ATOM 0 HE2 MET A 1 3.359 7.040 -3.507 1.00 34.31 H new ATOM 0 HE3 MET A 1 2.933 5.949 -4.847 1.00 34.31 H new ATOM 18 N PRO A 2 5.467 0.209 -2.183 1.00 52.20 N ATOM 19 CA PRO A 2 5.682 -0.883 -1.229 1.00 1.31 C ATOM 20 C PRO A 2 6.993 -1.621 -1.479 1.00 13.12 C ATOM 21 O PRO A 2 7.536 -1.584 -2.582 1.00 71.34 O ATOM 22 CB PRO A 2 4.490 -1.810 -1.477 1.00 21.53 C ATOM 23 CG PRO A 2 4.084 -1.538 -2.884 1.00 11.21 C ATOM 24 CD PRO A 2 4.371 -0.081 -3.123 1.00 30.21 C ATOM 0 HA PRO A 2 5.751 -0.521 -0.203 1.00 1.31 H new ATOM 0 HB2 PRO A 2 4.766 -2.855 -1.340 1.00 21.53 H new ATOM 0 HB3 PRO A 2 3.676 -1.602 -0.783 1.00 21.53 H new ATOM 0 HG2 PRO A 2 4.642 -2.165 -3.579 1.00 11.21 H new ATOM 0 HG3 PRO A 2 3.027 -1.757 -3.035 1.00 11.21 H new ATOM 0 HD2 PRO A 2 4.667 0.106 -4.155 1.00 30.21 H new ATOM 0 HD3 PRO A 2 3.497 0.539 -2.924 1.00 30.21 H new ATOM 32 N ALA A 3 7.495 -2.291 -0.447 1.00 2.22 N ATOM 33 CA ALA A 3 8.741 -3.040 -0.556 1.00 11.31 C ATOM 34 C ALA A 3 9.905 -2.120 -0.908 1.00 63.23 C ATOM 35 O ALA A 3 10.903 -2.558 -1.481 1.00 13.10 O ATOM 36 CB ALA A 3 8.604 -4.143 -1.594 1.00 62.25 C ATOM 0 H ALA A 3 7.058 -2.330 0.474 1.00 2.22 H new ATOM 0 HA ALA A 3 8.951 -3.493 0.413 1.00 11.31 H new ATOM 0 HB1 ALA A 3 9.542 -4.694 -1.665 1.00 62.25 H new ATOM 0 HB2 ALA A 3 7.805 -4.823 -1.299 1.00 62.25 H new ATOM 0 HB3 ALA A 3 8.367 -3.703 -2.563 1.00 62.25 H new ATOM 42 N ALA A 4 9.771 -0.844 -0.563 1.00 12.10 N ATOM 43 CA ALA A 4 10.812 0.137 -0.842 1.00 25.30 C ATOM 44 C ALA A 4 12.022 -0.074 0.063 1.00 35.10 C ATOM 45 O ALA A 4 11.910 -0.020 1.289 1.00 54.15 O ATOM 46 CB ALA A 4 10.267 1.547 -0.677 1.00 51.51 C ATOM 0 H ALA A 4 8.951 -0.465 -0.089 1.00 12.10 H new ATOM 0 HA ALA A 4 11.135 0.003 -1.874 1.00 25.30 H new ATOM 0 HB1 ALA A 4 11.056 2.269 -0.889 1.00 51.51 H new ATOM 0 HB2 ALA A 4 9.439 1.700 -1.369 1.00 51.51 H new ATOM 0 HB3 ALA A 4 9.915 1.684 0.345 1.00 51.51 H new ATOM 52 N LEU A 5 13.176 -0.315 -0.547 1.00 65.33 N ATOM 53 CA LEU A 5 14.408 -0.535 0.204 1.00 74.21 C ATOM 54 C LEU A 5 14.622 0.570 1.233 1.00 30.34 C ATOM 55 O LEU A 5 14.060 1.659 1.117 1.00 33.32 O ATOM 56 CB LEU A 5 15.604 -0.601 -0.747 1.00 52.22 C ATOM 57 CG LEU A 5 16.673 -1.640 -0.410 1.00 23.32 C ATOM 58 CD1 LEU A 5 16.299 -2.997 -0.985 1.00 31.40 C ATOM 59 CD2 LEU A 5 18.032 -1.195 -0.930 1.00 24.13 C ATOM 0 H LEU A 5 13.286 -0.363 -1.560 1.00 65.33 H new ATOM 0 HA LEU A 5 14.319 -1.485 0.731 1.00 74.21 H new ATOM 0 HB2 LEU A 5 15.233 -0.804 -1.752 1.00 52.22 H new ATOM 0 HB3 LEU A 5 16.076 0.381 -0.774 1.00 52.22 H new ATOM 0 HG LEU A 5 16.733 -1.732 0.674 1.00 23.32 H new ATOM 0 HD11 LEU A 5 17.072 -3.724 -0.735 1.00 31.40 H new ATOM 0 HD12 LEU A 5 15.347 -3.321 -0.564 1.00 31.40 H new ATOM 0 HD13 LEU A 5 16.210 -2.921 -2.069 1.00 31.40 H new ATOM 0 HD21 LEU A 5 18.781 -1.947 -0.681 1.00 24.13 H new ATOM 0 HD22 LEU A 5 17.986 -1.074 -2.012 1.00 24.13 H new ATOM 0 HD23 LEU A 5 18.304 -0.245 -0.470 1.00 24.13 H new ATOM 71 N VAL A 6 15.441 0.282 2.240 1.00 12.44 N ATOM 72 CA VAL A 6 15.733 1.253 3.289 1.00 73.50 C ATOM 73 C VAL A 6 17.218 1.259 3.634 1.00 73.11 C ATOM 74 O VAL A 6 17.927 2.225 3.352 1.00 71.43 O ATOM 75 CB VAL A 6 14.922 0.960 4.565 1.00 13.44 C ATOM 76 CG1 VAL A 6 15.082 2.091 5.570 1.00 34.03 C ATOM 77 CG2 VAL A 6 13.455 0.741 4.226 1.00 41.41 C ATOM 0 H VAL A 6 15.914 -0.615 2.352 1.00 12.44 H new ATOM 0 HA VAL A 6 15.449 2.232 2.903 1.00 73.50 H new ATOM 0 HB VAL A 6 15.307 0.046 5.017 1.00 13.44 H new ATOM 0 HG11 VAL A 6 14.502 1.867 6.465 1.00 34.03 H new ATOM 0 HG12 VAL A 6 16.134 2.196 5.836 1.00 34.03 H new ATOM 0 HG13 VAL A 6 14.725 3.022 5.130 1.00 34.03 H new ATOM 0 HG21 VAL A 6 12.897 0.535 5.140 1.00 41.41 H new ATOM 0 HG22 VAL A 6 13.054 1.636 3.750 1.00 41.41 H new ATOM 0 HG23 VAL A 6 13.361 -0.105 3.545 1.00 41.41 H new ATOM 87 N SER A 7 17.682 0.174 4.246 1.00 41.13 N ATOM 88 CA SER A 7 19.083 0.055 4.633 1.00 41.54 C ATOM 89 C SER A 7 19.350 -1.289 5.303 1.00 73.15 C ATOM 90 O SER A 7 18.451 -2.122 5.427 1.00 41.31 O ATOM 91 CB SER A 7 19.471 1.195 5.577 1.00 25.40 C ATOM 92 OG SER A 7 18.322 1.815 6.128 1.00 64.33 O ATOM 0 H SER A 7 17.108 -0.635 4.484 1.00 41.13 H new ATOM 0 HA SER A 7 19.690 0.117 3.730 1.00 41.54 H new ATOM 0 HB2 SER A 7 20.100 0.809 6.379 1.00 25.40 H new ATOM 0 HB3 SER A 7 20.063 1.934 5.036 1.00 25.40 H new ATOM 0 HG SER A 7 18.597 2.539 6.729 1.00 64.33 H new ATOM 98 N ILE A 8 20.590 -1.493 5.732 1.00 64.21 N ATOM 99 CA ILE A 8 20.976 -2.735 6.390 1.00 32.31 C ATOM 100 C ILE A 8 21.651 -2.461 7.729 1.00 22.25 C ATOM 101 O ILE A 8 22.265 -1.412 7.924 1.00 52.13 O ATOM 102 CB ILE A 8 21.926 -3.568 5.509 1.00 4.44 C ATOM 103 CG1 ILE A 8 21.390 -3.651 4.079 1.00 51.51 C ATOM 104 CG2 ILE A 8 22.107 -4.960 6.095 1.00 64.24 C ATOM 105 CD1 ILE A 8 20.066 -4.373 3.971 1.00 34.51 C ATOM 0 H ILE A 8 21.345 -0.814 5.636 1.00 64.21 H new ATOM 0 HA ILE A 8 20.060 -3.301 6.557 1.00 32.31 H new ATOM 0 HB ILE A 8 22.899 -3.077 5.484 1.00 4.44 H new ATOM 0 HG12 ILE A 8 21.278 -2.642 3.683 1.00 51.51 H new ATOM 0 HG13 ILE A 8 22.124 -4.159 3.454 1.00 51.51 H new ATOM 0 HG21 ILE A 8 22.781 -5.537 5.461 1.00 64.24 H new ATOM 0 HG22 ILE A 8 22.529 -4.881 7.097 1.00 64.24 H new ATOM 0 HG23 ILE A 8 21.140 -5.461 6.147 1.00 64.24 H new ATOM 0 HD11 ILE A 8 19.747 -4.394 2.929 1.00 34.51 H new ATOM 0 HD12 ILE A 8 20.177 -5.394 4.337 1.00 34.51 H new ATOM 0 HD13 ILE A 8 19.318 -3.853 4.569 1.00 34.51 H new ATOM 117 N SER A 9 21.535 -3.413 8.650 1.00 2.33 N ATOM 118 CA SER A 9 22.133 -3.273 9.973 1.00 70.40 C ATOM 119 C SER A 9 23.367 -4.160 10.107 1.00 23.04 C ATOM 120 O SER A 9 23.264 -5.386 10.151 1.00 53.04 O ATOM 121 CB SER A 9 21.114 -3.631 11.057 1.00 51.14 C ATOM 122 OG SER A 9 21.492 -3.090 12.311 1.00 40.03 O ATOM 0 H SER A 9 21.033 -4.289 8.504 1.00 2.33 H new ATOM 0 HA SER A 9 22.437 -2.234 10.099 1.00 70.40 H new ATOM 0 HB2 SER A 9 20.131 -3.253 10.776 1.00 51.14 H new ATOM 0 HB3 SER A 9 21.028 -4.715 11.136 1.00 51.14 H new ATOM 0 HG SER A 9 20.824 -3.331 12.986 1.00 40.03 H new ATOM 128 N VAL A 10 24.536 -3.530 10.173 1.00 21.32 N ATOM 129 CA VAL A 10 25.792 -4.260 10.304 1.00 75.22 C ATOM 130 C VAL A 10 26.507 -3.895 11.600 1.00 60.54 C ATOM 131 O VAL A 10 26.598 -2.722 11.961 1.00 23.44 O ATOM 132 CB VAL A 10 26.730 -3.980 9.115 1.00 2.43 C ATOM 133 CG1 VAL A 10 27.036 -2.493 9.016 1.00 42.12 C ATOM 134 CG2 VAL A 10 28.012 -4.788 9.247 1.00 72.53 C ATOM 0 H VAL A 10 24.639 -2.516 10.138 1.00 21.32 H new ATOM 0 HA VAL A 10 25.542 -5.321 10.317 1.00 75.22 H new ATOM 0 HB VAL A 10 26.227 -4.286 8.197 1.00 2.43 H new ATOM 0 HG11 VAL A 10 27.700 -2.314 8.170 1.00 42.12 H new ATOM 0 HG12 VAL A 10 26.108 -1.939 8.873 1.00 42.12 H new ATOM 0 HG13 VAL A 10 27.519 -2.159 9.934 1.00 42.12 H new ATOM 0 HG21 VAL A 10 28.663 -4.578 8.399 1.00 72.53 H new ATOM 0 HG22 VAL A 10 28.521 -4.515 10.171 1.00 72.53 H new ATOM 0 HG23 VAL A 10 27.772 -5.851 9.266 1.00 72.53 H new ATOM 144 N SER A 11 27.014 -4.909 12.295 1.00 51.32 N ATOM 145 CA SER A 11 27.719 -4.695 13.553 1.00 22.41 C ATOM 146 C SER A 11 29.201 -5.030 13.409 1.00 52.32 C ATOM 147 O SER A 11 29.677 -6.068 13.869 1.00 52.23 O ATOM 148 CB SER A 11 27.098 -5.548 14.661 1.00 11.23 C ATOM 149 OG SER A 11 25.791 -5.099 14.978 1.00 64.52 O ATOM 0 H SER A 11 26.950 -5.886 12.008 1.00 51.32 H new ATOM 0 HA SER A 11 27.626 -3.642 13.819 1.00 22.41 H new ATOM 0 HB2 SER A 11 27.061 -6.590 14.344 1.00 11.23 H new ATOM 0 HB3 SER A 11 27.726 -5.507 15.551 1.00 11.23 H new ATOM 0 HG SER A 11 25.415 -5.661 15.687 1.00 64.52 H new ATOM 155 N PRO A 12 29.949 -4.129 12.754 1.00 14.02 N ATOM 156 CA PRO A 12 31.387 -4.305 12.534 1.00 42.22 C ATOM 157 C PRO A 12 32.191 -4.180 13.824 1.00 52.03 C ATOM 158 O PRO A 12 31.757 -3.533 14.778 1.00 23.40 O ATOM 159 CB PRO A 12 31.740 -3.168 11.572 1.00 42.23 C ATOM 160 CG PRO A 12 30.704 -2.126 11.820 1.00 25.11 C ATOM 161 CD PRO A 12 29.448 -2.869 12.179 1.00 34.34 C ATOM 0 HA PRO A 12 31.622 -5.297 12.148 1.00 42.22 H new ATOM 0 HB2 PRO A 12 32.742 -2.784 11.764 1.00 42.23 H new ATOM 0 HB3 PRO A 12 31.721 -3.506 10.536 1.00 42.23 H new ATOM 0 HG2 PRO A 12 31.007 -1.459 12.627 1.00 25.11 H new ATOM 0 HG3 PRO A 12 30.552 -1.508 10.935 1.00 25.11 H new ATOM 0 HD2 PRO A 12 28.843 -2.313 12.895 1.00 34.34 H new ATOM 0 HD3 PRO A 12 28.823 -3.047 11.304 1.00 34.34 H new ATOM 169 N THR A 13 33.365 -4.803 13.847 1.00 42.34 N ATOM 170 CA THR A 13 34.229 -4.762 15.020 1.00 42.24 C ATOM 171 C THR A 13 35.415 -3.830 14.797 1.00 71.02 C ATOM 172 O THR A 13 36.020 -3.825 13.726 1.00 72.33 O ATOM 173 CB THR A 13 34.754 -6.164 15.380 1.00 32.51 C ATOM 174 OG1 THR A 13 34.322 -7.116 14.401 1.00 15.20 O ATOM 175 CG2 THR A 13 34.264 -6.588 16.757 1.00 43.02 C ATOM 0 H THR A 13 33.739 -5.342 13.066 1.00 42.34 H new ATOM 0 HA THR A 13 33.624 -4.385 15.845 1.00 42.24 H new ATOM 0 HB THR A 13 35.843 -6.127 15.394 1.00 32.51 H new ATOM 0 HG1 THR A 13 33.348 -7.214 14.447 1.00 15.20 H new ATOM 0 HG21 THR A 13 34.647 -7.581 16.990 1.00 43.02 H new ATOM 0 HG22 THR A 13 34.619 -5.878 17.504 1.00 43.02 H new ATOM 0 HG23 THR A 13 33.174 -6.609 16.765 1.00 43.02 H new ATOM 183 N ASN A 14 35.742 -3.042 15.816 1.00 24.52 N ATOM 184 CA ASN A 14 36.857 -2.106 15.731 1.00 1.20 C ATOM 185 C ASN A 14 37.800 -2.273 16.919 1.00 50.03 C ATOM 186 O ASN A 14 37.494 -1.846 18.032 1.00 2.00 O ATOM 187 CB ASN A 14 36.339 -0.667 15.676 1.00 74.44 C ATOM 188 CG ASN A 14 35.298 -0.387 16.742 1.00 14.40 C ATOM 189 OD1 ASN A 14 34.171 -0.878 16.670 1.00 21.04 O ATOM 190 ND2 ASN A 14 35.671 0.408 17.738 1.00 21.25 N ATOM 0 H ASN A 14 35.251 -3.033 16.710 1.00 24.52 H new ATOM 0 HA ASN A 14 37.411 -2.322 14.817 1.00 1.20 H new ATOM 0 HB2 ASN A 14 37.175 0.022 15.798 1.00 74.44 H new ATOM 0 HB3 ASN A 14 35.909 -0.476 14.693 1.00 74.44 H new ATOM 0 HD21 ASN A 14 35.013 0.634 18.484 1.00 21.25 H new ATOM 0 HD22 ASN A 14 36.615 0.793 17.757 1.00 21.25 H new ATOM 197 N SER A 15 38.948 -2.897 16.673 1.00 52.41 N ATOM 198 CA SER A 15 39.935 -3.123 17.722 1.00 34.23 C ATOM 199 C SER A 15 41.207 -3.739 17.148 1.00 74.40 C ATOM 200 O SER A 15 41.380 -3.814 15.931 1.00 25.21 O ATOM 201 CB SER A 15 39.357 -4.035 18.806 1.00 20.24 C ATOM 202 OG SER A 15 39.677 -3.555 20.101 1.00 54.33 O ATOM 0 H SER A 15 39.217 -3.255 15.757 1.00 52.41 H new ATOM 0 HA SER A 15 40.187 -2.159 18.164 1.00 34.23 H new ATOM 0 HB2 SER A 15 38.274 -4.096 18.695 1.00 20.24 H new ATOM 0 HB3 SER A 15 39.748 -5.045 18.682 1.00 20.24 H new ATOM 0 HG SER A 15 39.295 -4.154 20.776 1.00 54.33 H new ATOM 208 N THR A 16 42.095 -4.180 18.033 1.00 21.43 N ATOM 209 CA THR A 16 43.352 -4.789 17.616 1.00 30.14 C ATOM 210 C THR A 16 43.336 -6.296 17.846 1.00 52.00 C ATOM 211 O THR A 16 42.757 -6.780 18.819 1.00 51.23 O ATOM 212 CB THR A 16 44.549 -4.179 18.370 1.00 32.24 C ATOM 213 OG1 THR A 16 45.734 -4.938 18.104 1.00 53.31 O ATOM 214 CG2 THR A 16 44.286 -4.149 19.868 1.00 1.05 C ATOM 0 H THR A 16 41.967 -4.127 19.044 1.00 21.43 H new ATOM 0 HA THR A 16 43.462 -4.588 16.550 1.00 30.14 H new ATOM 0 HB THR A 16 44.687 -3.156 18.020 1.00 32.24 H new ATOM 0 HG1 THR A 16 45.986 -4.832 17.163 1.00 53.31 H new ATOM 0 HG21 THR A 16 45.145 -3.714 20.380 1.00 1.05 H new ATOM 0 HG22 THR A 16 43.400 -3.547 20.070 1.00 1.05 H new ATOM 0 HG23 THR A 16 44.124 -5.165 20.229 1.00 1.05 H new ATOM 222 N VAL A 17 43.976 -7.034 16.945 1.00 72.25 N ATOM 223 CA VAL A 17 44.036 -8.487 17.050 1.00 24.10 C ATOM 224 C VAL A 17 45.441 -9.001 16.755 1.00 71.42 C ATOM 225 O VAL A 17 46.216 -8.352 16.053 1.00 73.42 O ATOM 226 CB VAL A 17 43.042 -9.162 16.087 1.00 54.20 C ATOM 227 CG1 VAL A 17 42.907 -10.642 16.409 1.00 64.44 C ATOM 228 CG2 VAL A 17 41.688 -8.470 16.149 1.00 44.45 C ATOM 0 H VAL A 17 44.460 -6.650 16.134 1.00 72.25 H new ATOM 0 HA VAL A 17 43.766 -8.741 18.075 1.00 24.10 H new ATOM 0 HB VAL A 17 43.427 -9.069 15.072 1.00 54.20 H new ATOM 0 HG11 VAL A 17 42.200 -11.102 15.718 1.00 64.44 H new ATOM 0 HG12 VAL A 17 43.879 -11.126 16.310 1.00 64.44 H new ATOM 0 HG13 VAL A 17 42.545 -10.761 17.430 1.00 64.44 H new ATOM 0 HG21 VAL A 17 40.997 -8.960 15.462 1.00 44.45 H new ATOM 0 HG22 VAL A 17 41.295 -8.530 17.164 1.00 44.45 H new ATOM 0 HG23 VAL A 17 41.801 -7.424 15.865 1.00 44.45 H new ATOM 238 N ALA A 18 45.762 -10.172 17.296 1.00 62.15 N ATOM 239 CA ALA A 18 47.073 -10.775 17.088 1.00 32.41 C ATOM 240 C ALA A 18 47.240 -11.243 15.646 1.00 10.03 C ATOM 241 O ALA A 18 46.259 -11.438 14.928 1.00 22.11 O ATOM 242 CB ALA A 18 47.277 -11.937 18.049 1.00 70.41 C ATOM 0 H ALA A 18 45.133 -10.721 17.881 1.00 62.15 H new ATOM 0 HA ALA A 18 47.830 -10.016 17.286 1.00 32.41 H new ATOM 0 HB1 ALA A 18 48.260 -12.378 17.883 1.00 70.41 H new ATOM 0 HB2 ALA A 18 47.210 -11.576 19.075 1.00 70.41 H new ATOM 0 HB3 ALA A 18 46.508 -12.690 17.878 1.00 70.41 H new ATOM 248 N LYS A 19 48.488 -11.420 15.228 1.00 65.52 N ATOM 249 CA LYS A 19 48.785 -11.866 13.872 1.00 43.25 C ATOM 250 C LYS A 19 47.992 -13.122 13.525 1.00 2.15 C ATOM 251 O LYS A 19 47.815 -14.006 14.362 1.00 31.04 O ATOM 252 CB LYS A 19 50.284 -12.137 13.718 1.00 34.43 C ATOM 253 CG LYS A 19 50.858 -13.016 14.816 1.00 11.44 C ATOM 254 CD LYS A 19 51.597 -14.213 14.243 1.00 34.54 C ATOM 255 CE LYS A 19 52.733 -14.655 15.153 1.00 11.10 C ATOM 256 NZ LYS A 19 53.295 -15.971 14.740 1.00 15.13 N ATOM 0 H LYS A 19 49.311 -11.261 15.809 1.00 65.52 H new ATOM 0 HA LYS A 19 48.493 -11.072 13.184 1.00 43.25 H new ATOM 0 HB2 LYS A 19 50.462 -12.612 12.753 1.00 34.43 H new ATOM 0 HB3 LYS A 19 50.818 -11.187 13.708 1.00 34.43 H new ATOM 0 HG2 LYS A 19 51.538 -12.430 15.435 1.00 11.44 H new ATOM 0 HG3 LYS A 19 50.053 -13.361 15.465 1.00 11.44 H new ATOM 0 HD2 LYS A 19 50.900 -15.039 14.102 1.00 34.54 H new ATOM 0 HD3 LYS A 19 51.994 -13.960 13.260 1.00 34.54 H new ATOM 0 HE2 LYS A 19 53.522 -13.903 15.140 1.00 11.10 H new ATOM 0 HE3 LYS A 19 52.372 -14.720 16.179 1.00 11.10 H new ATOM 0 HZ1 LYS A 19 54.066 -16.237 15.385 1.00 15.13 H new ATOM 0 HZ2 LYS A 19 52.548 -16.694 14.776 1.00 15.13 H new ATOM 0 HZ3 LYS A 19 53.663 -15.902 13.770 1.00 15.13 H new ATOM 270 N GLY A 20 47.518 -13.194 12.285 1.00 20.33 N ATOM 271 CA GLY A 20 46.751 -14.347 11.851 1.00 52.14 C ATOM 272 C GLY A 20 45.402 -14.438 12.537 1.00 64.20 C ATOM 273 O GLY A 20 45.303 -14.921 13.666 1.00 43.02 O ATOM 0 H GLY A 20 47.651 -12.475 11.574 1.00 20.33 H new ATOM 0 HA2 GLY A 20 46.604 -14.296 10.772 1.00 52.14 H new ATOM 0 HA3 GLY A 20 47.320 -15.255 12.053 1.00 52.14 H new ATOM 277 N LEU A 21 44.361 -13.972 11.856 1.00 21.32 N ATOM 278 CA LEU A 21 43.011 -14.002 12.408 1.00 40.10 C ATOM 279 C LEU A 21 42.004 -13.431 11.414 1.00 21.34 C ATOM 280 O LEU A 21 42.377 -12.743 10.465 1.00 3.11 O ATOM 281 CB LEU A 21 42.956 -13.213 13.717 1.00 5.51 C ATOM 282 CG LEU A 21 42.658 -14.024 14.978 1.00 15.12 C ATOM 283 CD1 LEU A 21 43.797 -13.897 15.977 1.00 10.23 C ATOM 284 CD2 LEU A 21 41.345 -13.574 15.603 1.00 20.02 C ATOM 0 H LEU A 21 44.426 -13.569 10.921 1.00 21.32 H new ATOM 0 HA LEU A 21 42.749 -15.041 12.607 1.00 40.10 H new ATOM 0 HB2 LEU A 21 43.911 -12.706 13.853 1.00 5.51 H new ATOM 0 HB3 LEU A 21 42.195 -12.438 13.619 1.00 5.51 H new ATOM 0 HG LEU A 21 42.564 -15.073 14.698 1.00 15.12 H new ATOM 0 HD11 LEU A 21 43.566 -14.481 16.868 1.00 10.23 H new ATOM 0 HD12 LEU A 21 44.718 -14.268 15.528 1.00 10.23 H new ATOM 0 HD13 LEU A 21 43.924 -12.850 16.253 1.00 10.23 H new ATOM 0 HD21 LEU A 21 41.148 -14.162 16.500 1.00 20.02 H new ATOM 0 HD22 LEU A 21 41.411 -12.519 15.868 1.00 20.02 H new ATOM 0 HD23 LEU A 21 40.534 -13.719 14.889 1.00 20.02 H new ATOM 296 N GLN A 22 40.727 -13.721 11.642 1.00 50.02 N ATOM 297 CA GLN A 22 39.667 -13.235 10.767 1.00 55.01 C ATOM 298 C GLN A 22 38.493 -12.700 11.580 1.00 15.31 C ATOM 299 O GLN A 22 38.271 -13.118 12.716 1.00 1.40 O ATOM 300 CB GLN A 22 39.191 -14.353 9.837 1.00 11.24 C ATOM 301 CG GLN A 22 38.437 -15.461 10.555 1.00 54.34 C ATOM 302 CD GLN A 22 36.965 -15.143 10.736 1.00 45.43 C ATOM 303 OE1 GLN A 22 36.363 -14.447 9.917 1.00 64.51 O ATOM 304 NE2 GLN A 22 36.378 -15.651 11.812 1.00 32.24 N ATOM 0 H GLN A 22 40.402 -14.289 12.424 1.00 50.02 H new ATOM 0 HA GLN A 22 40.071 -12.420 10.167 1.00 55.01 H new ATOM 0 HB2 GLN A 22 38.547 -13.926 9.068 1.00 11.24 H new ATOM 0 HB3 GLN A 22 40.054 -14.783 9.328 1.00 11.24 H new ATOM 0 HG2 GLN A 22 38.538 -16.388 9.991 1.00 54.34 H new ATOM 0 HG3 GLN A 22 38.891 -15.631 11.531 1.00 54.34 H new ATOM 0 HE21 GLN A 22 36.915 -16.222 12.464 1.00 32.24 H new ATOM 0 HE22 GLN A 22 35.390 -15.470 11.987 1.00 32.24 H new ATOM 313 N GLU A 23 37.744 -11.773 10.990 1.00 2.33 N ATOM 314 CA GLU A 23 36.594 -11.180 11.662 1.00 55.13 C ATOM 315 C GLU A 23 35.313 -11.433 10.871 1.00 13.55 C ATOM 316 O GLU A 23 35.181 -10.999 9.728 1.00 63.54 O ATOM 317 CB GLU A 23 36.803 -9.676 11.848 1.00 53.42 C ATOM 318 CG GLU A 23 37.109 -9.276 13.282 1.00 75.44 C ATOM 319 CD GLU A 23 38.271 -10.053 13.868 1.00 22.21 C ATOM 320 OE1 GLU A 23 39.377 -9.990 13.291 1.00 22.13 O ATOM 321 OE2 GLU A 23 38.076 -10.724 14.903 1.00 74.01 O ATOM 0 H GLU A 23 37.913 -11.417 10.049 1.00 2.33 H new ATOM 0 HA GLU A 23 36.495 -11.649 12.641 1.00 55.13 H new ATOM 0 HB2 GLU A 23 37.621 -9.349 11.206 1.00 53.42 H new ATOM 0 HB3 GLU A 23 35.908 -9.150 11.516 1.00 53.42 H new ATOM 0 HG2 GLU A 23 37.334 -8.210 13.318 1.00 75.44 H new ATOM 0 HG3 GLU A 23 36.223 -9.435 13.897 1.00 75.44 H new ATOM 328 N ASN A 24 34.371 -12.137 11.491 1.00 24.20 N ATOM 329 CA ASN A 24 33.101 -12.449 10.846 1.00 62.11 C ATOM 330 C ASN A 24 31.931 -11.895 11.653 1.00 72.22 C ATOM 331 O ASN A 24 31.929 -11.951 12.883 1.00 70.13 O ATOM 332 CB ASN A 24 32.949 -13.962 10.678 1.00 34.20 C ATOM 333 CG ASN A 24 32.484 -14.641 11.952 1.00 71.31 C ATOM 334 OD1 ASN A 24 33.209 -14.684 12.946 1.00 60.02 O ATOM 335 ND2 ASN A 24 31.269 -15.177 11.927 1.00 11.33 N ATOM 0 H ASN A 24 34.463 -12.502 12.439 1.00 24.20 H new ATOM 0 HA ASN A 24 33.096 -11.979 9.863 1.00 62.11 H new ATOM 0 HB2 ASN A 24 32.236 -14.166 9.879 1.00 34.20 H new ATOM 0 HB3 ASN A 24 33.904 -14.388 10.370 1.00 34.20 H new ATOM 0 HD21 ASN A 24 30.902 -15.648 12.754 1.00 11.33 H new ATOM 0 HD22 ASN A 24 30.703 -15.118 11.081 1.00 11.33 H new ATOM 342 N PHE A 25 30.936 -11.361 10.952 1.00 42.02 N ATOM 343 CA PHE A 25 29.760 -10.796 11.602 1.00 34.32 C ATOM 344 C PHE A 25 28.498 -11.091 10.796 1.00 62.50 C ATOM 345 O PHE A 25 28.519 -11.889 9.858 1.00 40.52 O ATOM 346 CB PHE A 25 29.924 -9.285 11.778 1.00 31.35 C ATOM 347 CG PHE A 25 30.056 -8.860 13.213 1.00 43.01 C ATOM 348 CD1 PHE A 25 28.954 -8.857 14.053 1.00 44.11 C ATOM 349 CD2 PHE A 25 31.283 -8.464 13.721 1.00 13.24 C ATOM 350 CE1 PHE A 25 29.073 -8.465 15.373 1.00 65.21 C ATOM 351 CE2 PHE A 25 31.408 -8.071 15.041 1.00 61.41 C ATOM 352 CZ PHE A 25 30.302 -8.073 15.868 1.00 70.21 C ATOM 0 H PHE A 25 30.921 -11.308 9.933 1.00 42.02 H new ATOM 0 HA PHE A 25 29.661 -11.260 12.583 1.00 34.32 H new ATOM 0 HB2 PHE A 25 30.806 -8.957 11.227 1.00 31.35 H new ATOM 0 HB3 PHE A 25 29.065 -8.780 11.335 1.00 31.35 H new ATOM 0 HD1 PHE A 25 27.991 -9.164 13.672 1.00 44.11 H new ATOM 0 HD2 PHE A 25 32.151 -8.462 13.079 1.00 13.24 H new ATOM 0 HE1 PHE A 25 28.206 -8.465 16.017 1.00 65.21 H new ATOM 0 HE2 PHE A 25 32.369 -7.763 15.425 1.00 61.41 H new ATOM 0 HZ PHE A 25 30.398 -7.769 16.900 1.00 70.21 H new ATOM 362 N LYS A 26 27.400 -10.443 11.169 1.00 72.32 N ATOM 363 CA LYS A 26 26.128 -10.634 10.482 1.00 50.12 C ATOM 364 C LYS A 26 25.510 -9.293 10.098 1.00 4.03 C ATOM 365 O LYS A 26 25.813 -8.264 10.702 1.00 63.31 O ATOM 366 CB LYS A 26 25.159 -11.419 11.368 1.00 34.04 C ATOM 367 CG LYS A 26 24.651 -10.629 12.562 1.00 35.22 C ATOM 368 CD LYS A 26 23.976 -11.532 13.582 1.00 43.32 C ATOM 369 CE LYS A 26 23.856 -10.850 14.936 1.00 22.13 C ATOM 370 NZ LYS A 26 22.452 -10.848 15.433 1.00 4.43 N ATOM 0 H LYS A 26 27.365 -9.780 11.944 1.00 72.32 H new ATOM 0 HA LYS A 26 26.318 -11.201 9.571 1.00 50.12 H new ATOM 0 HB2 LYS A 26 24.308 -11.740 10.767 1.00 34.04 H new ATOM 0 HB3 LYS A 26 25.656 -12.321 11.725 1.00 34.04 H new ATOM 0 HG2 LYS A 26 25.482 -10.105 13.033 1.00 35.22 H new ATOM 0 HG3 LYS A 26 23.946 -9.870 12.224 1.00 35.22 H new ATOM 0 HD2 LYS A 26 22.985 -11.810 13.224 1.00 43.32 H new ATOM 0 HD3 LYS A 26 24.547 -12.455 13.687 1.00 43.32 H new ATOM 0 HE2 LYS A 26 24.496 -11.359 15.657 1.00 22.13 H new ATOM 0 HE3 LYS A 26 24.216 -9.824 14.859 1.00 22.13 H new ATOM 0 HZ1 LYS A 26 22.412 -10.374 16.358 1.00 4.43 H new ATOM 0 HZ2 LYS A 26 21.845 -10.341 14.758 1.00 4.43 H new ATOM 0 HZ3 LYS A 26 22.117 -11.828 15.531 1.00 4.43 H new ATOM 384 N ALA A 27 24.642 -9.313 9.092 1.00 3.42 N ATOM 385 CA ALA A 27 23.980 -8.099 8.631 1.00 13.23 C ATOM 386 C ALA A 27 22.471 -8.299 8.537 1.00 71.12 C ATOM 387 O ALA A 27 21.990 -9.120 7.754 1.00 3.42 O ATOM 388 CB ALA A 27 24.542 -7.669 7.284 1.00 24.44 C ATOM 0 H ALA A 27 24.381 -10.156 8.581 1.00 3.42 H new ATOM 0 HA ALA A 27 24.172 -7.311 9.360 1.00 13.23 H new ATOM 0 HB1 ALA A 27 24.038 -6.761 6.953 1.00 24.44 H new ATOM 0 HB2 ALA A 27 25.611 -7.476 7.380 1.00 24.44 H new ATOM 0 HB3 ALA A 27 24.381 -8.461 6.553 1.00 24.44 H new ATOM 394 N THR A 28 21.727 -7.544 9.340 1.00 71.53 N ATOM 395 CA THR A 28 20.273 -7.640 9.348 1.00 73.51 C ATOM 396 C THR A 28 19.644 -6.531 8.513 1.00 73.34 C ATOM 397 O THR A 28 19.641 -5.367 8.910 1.00 60.11 O ATOM 398 CB THR A 28 19.713 -7.568 10.781 1.00 21.32 C ATOM 399 OG1 THR A 28 20.757 -7.822 11.728 1.00 31.11 O ATOM 400 CG2 THR A 28 18.590 -8.576 10.975 1.00 52.21 C ATOM 0 H THR A 28 22.108 -6.859 9.993 1.00 71.53 H new ATOM 0 HA THR A 28 20.018 -8.607 8.914 1.00 73.51 H new ATOM 0 HB THR A 28 19.313 -6.567 10.941 1.00 21.32 H new ATOM 0 HG1 THR A 28 20.393 -7.773 12.637 1.00 31.11 H new ATOM 0 HG21 THR A 28 18.211 -8.506 11.994 1.00 52.21 H new ATOM 0 HG22 THR A 28 17.784 -8.363 10.273 1.00 52.21 H new ATOM 0 HG23 THR A 28 18.969 -9.582 10.797 1.00 52.21 H new ATOM 408 N GLY A 29 19.110 -6.901 7.352 1.00 0.30 N ATOM 409 CA GLY A 29 18.485 -5.925 6.479 1.00 14.30 C ATOM 410 C GLY A 29 17.033 -5.673 6.837 1.00 43.33 C ATOM 411 O GLY A 29 16.304 -6.600 7.188 1.00 72.42 O ATOM 0 H GLY A 29 19.099 -7.859 7.001 1.00 0.30 H new ATOM 0 HA2 GLY A 29 19.038 -4.987 6.533 1.00 14.30 H new ATOM 0 HA3 GLY A 29 18.547 -6.272 5.448 1.00 14.30 H new ATOM 415 N ILE A 30 16.614 -4.415 6.749 1.00 11.02 N ATOM 416 CA ILE A 30 15.240 -4.044 7.067 1.00 25.40 C ATOM 417 C ILE A 30 14.601 -3.269 5.920 1.00 11.03 C ATOM 418 O ILE A 30 14.949 -2.116 5.666 1.00 11.42 O ATOM 419 CB ILE A 30 15.169 -3.194 8.349 1.00 21.43 C ATOM 420 CG1 ILE A 30 16.188 -2.055 8.289 1.00 4.14 C ATOM 421 CG2 ILE A 30 15.409 -4.063 9.575 1.00 63.32 C ATOM 422 CD1 ILE A 30 15.602 -0.701 8.625 1.00 61.41 C ATOM 0 H ILE A 30 17.206 -3.636 6.460 1.00 11.02 H new ATOM 0 HA ILE A 30 14.691 -4.972 7.226 1.00 25.40 H new ATOM 0 HB ILE A 30 14.172 -2.760 8.425 1.00 21.43 H new ATOM 0 HG12 ILE A 30 17.003 -2.271 8.980 1.00 4.14 H new ATOM 0 HG13 ILE A 30 16.620 -2.017 7.289 1.00 4.14 H new ATOM 0 HG21 ILE A 30 15.356 -3.448 10.473 1.00 63.32 H new ATOM 0 HG22 ILE A 30 14.648 -4.842 9.623 1.00 63.32 H new ATOM 0 HG23 ILE A 30 16.395 -4.522 9.508 1.00 63.32 H new ATOM 0 HD11 ILE A 30 16.381 0.058 8.562 1.00 61.41 H new ATOM 0 HD12 ILE A 30 14.806 -0.464 7.919 1.00 61.41 H new ATOM 0 HD13 ILE A 30 15.196 -0.721 9.636 1.00 61.41 H new ATOM 434 N PHE A 31 13.662 -3.909 5.231 1.00 22.43 N ATOM 435 CA PHE A 31 12.972 -3.280 4.111 1.00 4.34 C ATOM 436 C PHE A 31 11.469 -3.219 4.364 1.00 73.04 C ATOM 437 O PHE A 31 10.966 -3.787 5.334 1.00 2.42 O ATOM 438 CB PHE A 31 13.253 -4.045 2.816 1.00 2.05 C ATOM 439 CG PHE A 31 14.687 -4.466 2.668 1.00 44.42 C ATOM 440 CD1 PHE A 31 15.651 -3.557 2.263 1.00 43.34 C ATOM 441 CD2 PHE A 31 15.071 -5.770 2.933 1.00 65.32 C ATOM 442 CE1 PHE A 31 16.972 -3.940 2.125 1.00 21.41 C ATOM 443 CE2 PHE A 31 16.391 -6.160 2.798 1.00 54.45 C ATOM 444 CZ PHE A 31 17.342 -5.244 2.392 1.00 11.00 C ATOM 0 H PHE A 31 13.361 -4.863 5.429 1.00 22.43 H new ATOM 0 HA PHE A 31 13.347 -2.262 4.011 1.00 4.34 H new ATOM 0 HB2 PHE A 31 12.617 -4.930 2.781 1.00 2.05 H new ATOM 0 HB3 PHE A 31 12.977 -3.420 1.967 1.00 2.05 H new ATOM 0 HD1 PHE A 31 15.367 -2.537 2.053 1.00 43.34 H new ATOM 0 HD2 PHE A 31 14.331 -6.491 3.249 1.00 65.32 H new ATOM 0 HE1 PHE A 31 17.714 -3.221 1.809 1.00 21.41 H new ATOM 0 HE2 PHE A 31 16.678 -7.179 3.010 1.00 54.45 H new ATOM 0 HZ PHE A 31 18.373 -5.547 2.283 1.00 11.00 H new ATOM 454 N THR A 32 10.754 -2.526 3.482 1.00 3.55 N ATOM 455 CA THR A 32 9.309 -2.388 3.609 1.00 31.12 C ATOM 456 C THR A 32 8.607 -3.720 3.369 1.00 11.22 C ATOM 457 O THR A 32 7.496 -3.942 3.851 1.00 60.40 O ATOM 458 CB THR A 32 8.755 -1.344 2.622 1.00 42.51 C ATOM 459 OG1 THR A 32 9.341 -0.063 2.883 1.00 21.43 O ATOM 460 CG2 THR A 32 7.241 -1.246 2.730 1.00 0.45 C ATOM 0 H THR A 32 11.153 -2.052 2.672 1.00 3.55 H new ATOM 0 HA THR A 32 9.112 -2.054 4.628 1.00 31.12 H new ATOM 0 HB THR A 32 9.011 -1.661 1.611 1.00 42.51 H new ATOM 0 HG1 THR A 32 10.186 0.016 2.393 1.00 21.43 H new ATOM 0 HG21 THR A 32 6.873 -0.502 2.023 1.00 0.45 H new ATOM 0 HG22 THR A 32 6.796 -2.215 2.502 1.00 0.45 H new ATOM 0 HG23 THR A 32 6.967 -0.951 3.743 1.00 0.45 H new ATOM 468 N ASP A 33 9.262 -4.602 2.623 1.00 73.23 N ATOM 469 CA ASP A 33 8.700 -5.914 2.320 1.00 5.22 C ATOM 470 C ASP A 33 8.883 -6.867 3.497 1.00 62.52 C ATOM 471 O ASP A 33 8.464 -8.023 3.442 1.00 5.15 O ATOM 472 CB ASP A 33 9.358 -6.497 1.068 1.00 15.12 C ATOM 473 CG ASP A 33 10.869 -6.391 1.105 1.00 44.41 C ATOM 474 OD1 ASP A 33 11.512 -7.282 1.697 1.00 22.22 O ATOM 475 OD2 ASP A 33 11.410 -5.415 0.542 1.00 72.31 O ATOM 0 H ASP A 33 10.182 -4.433 2.217 1.00 73.23 H new ATOM 0 HA ASP A 33 7.632 -5.792 2.136 1.00 5.22 H new ATOM 0 HB2 ASP A 33 9.073 -7.544 0.965 1.00 15.12 H new ATOM 0 HB3 ASP A 33 8.982 -5.976 0.187 1.00 15.12 H new ATOM 480 N ASN A 34 9.512 -6.375 4.559 1.00 64.01 N ATOM 481 CA ASN A 34 9.752 -7.184 5.748 1.00 23.23 C ATOM 482 C ASN A 34 10.485 -8.473 5.390 1.00 24.44 C ATOM 483 O ASN A 34 10.406 -9.466 6.114 1.00 21.01 O ATOM 484 CB ASN A 34 8.429 -7.513 6.443 1.00 40.44 C ATOM 485 CG ASN A 34 7.383 -6.435 6.233 1.00 51.14 C ATOM 486 OD1 ASN A 34 6.378 -6.653 5.556 1.00 71.21 O ATOM 487 ND2 ASN A 34 7.616 -5.264 6.813 1.00 14.44 N ATOM 0 H ASN A 34 9.865 -5.420 4.621 1.00 64.01 H new ATOM 0 HA ASN A 34 10.378 -6.607 6.428 1.00 23.23 H new ATOM 0 HB2 ASN A 34 8.049 -8.462 6.065 1.00 40.44 H new ATOM 0 HB3 ASN A 34 8.605 -7.642 7.511 1.00 40.44 H new ATOM 0 HD21 ASN A 34 6.948 -4.500 6.706 1.00 14.44 H new ATOM 0 HD22 ASN A 34 8.463 -5.128 7.365 1.00 14.44 H new ATOM 494 N SER A 35 11.199 -8.450 4.269 1.00 22.24 N ATOM 495 CA SER A 35 11.944 -9.618 3.813 1.00 2.23 C ATOM 496 C SER A 35 13.432 -9.301 3.696 1.00 20.22 C ATOM 497 O SER A 35 13.871 -8.677 2.731 1.00 32.31 O ATOM 498 CB SER A 35 11.406 -10.098 2.464 1.00 14.41 C ATOM 499 OG SER A 35 10.917 -11.425 2.553 1.00 40.12 O ATOM 0 H SER A 35 11.277 -7.636 3.660 1.00 22.24 H new ATOM 0 HA SER A 35 11.815 -10.411 4.550 1.00 2.23 H new ATOM 0 HB2 SER A 35 10.608 -9.435 2.130 1.00 14.41 H new ATOM 0 HB3 SER A 35 12.196 -10.048 1.715 1.00 14.41 H new ATOM 0 HG SER A 35 10.577 -11.708 1.678 1.00 40.12 H new ATOM 505 N ASN A 36 14.203 -9.737 4.687 1.00 0.34 N ATOM 506 CA ASN A 36 15.642 -9.500 4.697 1.00 0.21 C ATOM 507 C ASN A 36 16.390 -10.668 4.063 1.00 60.43 C ATOM 508 O ASN A 36 16.012 -11.827 4.234 1.00 21.23 O ATOM 509 CB ASN A 36 16.134 -9.282 6.129 1.00 4.32 C ATOM 510 CG ASN A 36 16.306 -10.585 6.886 1.00 11.53 C ATOM 511 OD1 ASN A 36 15.458 -11.474 6.813 1.00 64.44 O ATOM 512 ND2 ASN A 36 17.407 -10.702 7.620 1.00 52.14 N ATOM 0 H ASN A 36 13.855 -10.256 5.493 1.00 0.34 H new ATOM 0 HA ASN A 36 15.841 -8.603 4.111 1.00 0.21 H new ATOM 0 HB2 ASN A 36 17.085 -8.750 6.106 1.00 4.32 H new ATOM 0 HB3 ASN A 36 15.426 -8.647 6.661 1.00 4.32 H new ATOM 0 HD21 ASN A 36 17.576 -11.555 8.153 1.00 52.14 H new ATOM 0 HD22 ASN A 36 18.083 -9.939 7.651 1.00 52.14 H new ATOM 519 N SER A 37 17.454 -10.355 3.330 1.00 75.15 N ATOM 520 CA SER A 37 18.253 -11.378 2.667 1.00 63.54 C ATOM 521 C SER A 37 19.743 -11.122 2.873 1.00 40.24 C ATOM 522 O SER A 37 20.153 -10.007 3.197 1.00 21.20 O ATOM 523 CB SER A 37 17.933 -11.417 1.171 1.00 12.11 C ATOM 524 OG SER A 37 16.924 -10.478 0.841 1.00 31.15 O ATOM 0 H SER A 37 17.782 -9.401 3.181 1.00 75.15 H new ATOM 0 HA SER A 37 18.003 -12.342 3.110 1.00 63.54 H new ATOM 0 HB2 SER A 37 18.835 -11.203 0.597 1.00 12.11 H new ATOM 0 HB3 SER A 37 17.607 -12.419 0.891 1.00 12.11 H new ATOM 0 HG SER A 37 17.323 -9.587 0.753 1.00 31.15 H new ATOM 530 N ASP A 38 20.548 -12.161 2.682 1.00 72.32 N ATOM 531 CA ASP A 38 21.993 -12.050 2.845 1.00 14.22 C ATOM 532 C ASP A 38 22.579 -11.066 1.838 1.00 62.04 C ATOM 533 O ASP A 38 22.655 -11.357 0.643 1.00 12.14 O ATOM 534 CB ASP A 38 22.653 -13.420 2.683 1.00 51.22 C ATOM 535 CG ASP A 38 22.123 -14.179 1.482 1.00 25.01 C ATOM 536 OD1 ASP A 38 21.073 -14.842 1.615 1.00 41.33 O ATOM 537 OD2 ASP A 38 22.759 -14.110 0.410 1.00 50.24 O ATOM 0 H ASP A 38 20.224 -13.090 2.414 1.00 72.32 H new ATOM 0 HA ASP A 38 22.193 -11.676 3.849 1.00 14.22 H new ATOM 0 HB2 ASP A 38 23.731 -13.291 2.581 1.00 51.22 H new ATOM 0 HB3 ASP A 38 22.486 -14.010 3.584 1.00 51.22 H new ATOM 542 N ILE A 39 22.992 -9.901 2.327 1.00 74.53 N ATOM 543 CA ILE A 39 23.571 -8.875 1.469 1.00 61.42 C ATOM 544 C ILE A 39 22.892 -8.853 0.103 1.00 4.24 C ATOM 545 O ILE A 39 23.556 -8.885 -0.933 1.00 42.25 O ATOM 546 CB ILE A 39 25.083 -9.092 1.274 1.00 24.24 C ATOM 547 CG1 ILE A 39 25.352 -10.490 0.714 1.00 63.23 C ATOM 548 CG2 ILE A 39 25.821 -8.892 2.590 1.00 35.52 C ATOM 549 CD1 ILE A 39 26.774 -10.686 0.236 1.00 60.34 C ATOM 0 H ILE A 39 22.936 -9.645 3.313 1.00 74.53 H new ATOM 0 HA ILE A 39 23.410 -7.919 1.968 1.00 61.42 H new ATOM 0 HB ILE A 39 25.451 -8.357 0.558 1.00 24.24 H new ATOM 0 HG12 ILE A 39 25.131 -11.230 1.483 1.00 63.23 H new ATOM 0 HG13 ILE A 39 24.669 -10.678 -0.115 1.00 63.23 H new ATOM 0 HG21 ILE A 39 26.889 -9.049 2.436 1.00 35.52 H new ATOM 0 HG22 ILE A 39 25.652 -7.878 2.952 1.00 35.52 H new ATOM 0 HG23 ILE A 39 25.452 -9.606 3.326 1.00 35.52 H new ATOM 0 HD11 ILE A 39 26.892 -11.699 -0.148 1.00 60.34 H new ATOM 0 HD12 ILE A 39 26.994 -9.970 -0.556 1.00 60.34 H new ATOM 0 HD13 ILE A 39 27.462 -10.530 1.067 1.00 60.34 H new ATOM 561 N THR A 40 21.564 -8.796 0.110 1.00 42.44 N ATOM 562 CA THR A 40 20.795 -8.768 -1.128 1.00 14.32 C ATOM 563 C THR A 40 21.193 -7.580 -1.996 1.00 60.14 C ATOM 564 O THR A 40 21.113 -7.642 -3.223 1.00 55.44 O ATOM 565 CB THR A 40 19.282 -8.699 -0.847 1.00 33.20 C ATOM 566 OG1 THR A 40 19.039 -8.809 0.560 1.00 1.40 O ATOM 567 CG2 THR A 40 18.544 -9.809 -1.582 1.00 2.44 C ATOM 0 H THR A 40 20.999 -8.768 0.959 1.00 42.44 H new ATOM 0 HA THR A 40 21.017 -9.693 -1.659 1.00 14.32 H new ATOM 0 HB THR A 40 18.912 -7.738 -1.205 1.00 33.20 H new ATOM 0 HG1 THR A 40 19.245 -7.955 0.995 1.00 1.40 H new ATOM 0 HG21 THR A 40 17.477 -9.740 -1.368 1.00 2.44 H new ATOM 0 HG22 THR A 40 18.707 -9.706 -2.655 1.00 2.44 H new ATOM 0 HG23 THR A 40 18.919 -10.777 -1.250 1.00 2.44 H new ATOM 575 N ASP A 41 21.623 -6.501 -1.353 1.00 3.41 N ATOM 576 CA ASP A 41 22.036 -5.298 -2.068 1.00 24.34 C ATOM 577 C ASP A 41 23.476 -5.424 -2.556 1.00 22.12 C ATOM 578 O ASP A 41 24.015 -4.504 -3.170 1.00 60.25 O ATOM 579 CB ASP A 41 21.896 -4.070 -1.167 1.00 74.20 C ATOM 580 CG ASP A 41 20.671 -3.242 -1.504 1.00 71.51 C ATOM 581 OD1 ASP A 41 19.552 -3.796 -1.469 1.00 71.40 O ATOM 582 OD2 ASP A 41 20.831 -2.041 -1.802 1.00 43.40 O ATOM 0 H ASP A 41 21.695 -6.434 -0.338 1.00 3.41 H new ATOM 0 HA ASP A 41 21.386 -5.179 -2.935 1.00 24.34 H new ATOM 0 HB2 ASP A 41 21.839 -4.391 -0.127 1.00 74.20 H new ATOM 0 HB3 ASP A 41 22.787 -3.450 -1.261 1.00 74.20 H new ATOM 587 N GLN A 42 24.093 -6.568 -2.277 1.00 35.14 N ATOM 588 CA GLN A 42 25.470 -6.813 -2.686 1.00 44.41 C ATOM 589 C GLN A 42 26.422 -5.834 -2.006 1.00 23.23 C ATOM 590 O GLN A 42 26.596 -4.703 -2.460 1.00 33.21 O ATOM 591 CB GLN A 42 25.601 -6.697 -4.206 1.00 4.43 C ATOM 592 CG GLN A 42 26.726 -7.539 -4.786 1.00 31.34 C ATOM 593 CD GLN A 42 27.304 -6.947 -6.055 1.00 42.44 C ATOM 594 OE1 GLN A 42 27.672 -5.772 -6.094 1.00 64.24 O ATOM 595 NE2 GLN A 42 27.387 -7.758 -7.103 1.00 45.02 N ATOM 0 H GLN A 42 23.660 -7.340 -1.769 1.00 35.14 H new ATOM 0 HA GLN A 42 25.739 -7.824 -2.381 1.00 44.41 H new ATOM 0 HB2 GLN A 42 24.660 -6.996 -4.667 1.00 4.43 H new ATOM 0 HB3 GLN A 42 25.767 -5.652 -4.469 1.00 4.43 H new ATOM 0 HG2 GLN A 42 27.518 -7.641 -4.044 1.00 31.34 H new ATOM 0 HG3 GLN A 42 26.353 -8.542 -4.995 1.00 31.34 H new ATOM 0 HE21 GLN A 42 27.070 -8.725 -7.026 1.00 45.02 H new ATOM 0 HE22 GLN A 42 27.767 -7.414 -7.985 1.00 45.02 H new ATOM 604 N VAL A 43 27.037 -6.277 -0.913 1.00 41.05 N ATOM 605 CA VAL A 43 27.972 -5.441 -0.170 1.00 42.34 C ATOM 606 C VAL A 43 29.412 -5.727 -0.582 1.00 31.12 C ATOM 607 O VAL A 43 29.814 -6.884 -0.714 1.00 52.44 O ATOM 608 CB VAL A 43 27.832 -5.655 1.348 1.00 14.44 C ATOM 609 CG1 VAL A 43 28.290 -7.052 1.736 1.00 61.23 C ATOM 610 CG2 VAL A 43 28.616 -4.597 2.110 1.00 44.12 C ATOM 0 H VAL A 43 26.904 -7.210 -0.523 1.00 41.05 H new ATOM 0 HA VAL A 43 27.728 -4.405 -0.407 1.00 42.34 H new ATOM 0 HB VAL A 43 26.780 -5.557 1.615 1.00 14.44 H new ATOM 0 HG11 VAL A 43 28.183 -7.184 2.813 1.00 61.23 H new ATOM 0 HG12 VAL A 43 27.680 -7.792 1.218 1.00 61.23 H new ATOM 0 HG13 VAL A 43 29.335 -7.183 1.456 1.00 61.23 H new ATOM 0 HG21 VAL A 43 28.506 -4.764 3.182 1.00 44.12 H new ATOM 0 HG22 VAL A 43 29.670 -4.660 1.840 1.00 44.12 H new ATOM 0 HG23 VAL A 43 28.235 -3.608 1.856 1.00 44.12 H new ATOM 620 N THR A 44 30.187 -4.665 -0.783 1.00 33.54 N ATOM 621 CA THR A 44 31.582 -4.802 -1.180 1.00 3.13 C ATOM 622 C THR A 44 32.507 -4.735 0.030 1.00 22.12 C ATOM 623 O THR A 44 32.633 -3.691 0.670 1.00 44.23 O ATOM 624 CB THR A 44 31.990 -3.708 -2.184 1.00 41.33 C ATOM 625 OG1 THR A 44 30.929 -3.480 -3.118 1.00 14.41 O ATOM 626 CG2 THR A 44 33.254 -4.104 -2.932 1.00 51.15 C ATOM 0 H THR A 44 29.871 -3.701 -0.677 1.00 33.54 H new ATOM 0 HA THR A 44 31.681 -5.777 -1.656 1.00 3.13 H new ATOM 0 HB THR A 44 32.188 -2.791 -1.628 1.00 41.33 H new ATOM 0 HG1 THR A 44 31.196 -2.782 -3.752 1.00 14.41 H new ATOM 0 HG21 THR A 44 33.523 -3.316 -3.635 1.00 51.15 H new ATOM 0 HG22 THR A 44 34.067 -4.248 -2.221 1.00 51.15 H new ATOM 0 HG23 THR A 44 33.079 -5.032 -3.476 1.00 51.15 H new ATOM 634 N TRP A 45 33.152 -5.855 0.338 1.00 11.53 N ATOM 635 CA TRP A 45 34.067 -5.922 1.472 1.00 34.13 C ATOM 636 C TRP A 45 35.506 -6.099 1.001 1.00 32.51 C ATOM 637 O TRP A 45 35.812 -7.021 0.245 1.00 72.52 O ATOM 638 CB TRP A 45 33.676 -7.073 2.401 1.00 13.54 C ATOM 639 CG TRP A 45 33.413 -6.635 3.811 1.00 51.14 C ATOM 640 CD1 TRP A 45 34.233 -5.883 4.602 1.00 45.44 C ATOM 641 CD2 TRP A 45 32.251 -6.925 4.596 1.00 62.15 C ATOM 642 NE1 TRP A 45 33.652 -5.688 5.831 1.00 12.42 N ATOM 643 CE2 TRP A 45 32.435 -6.316 5.852 1.00 20.34 C ATOM 644 CE3 TRP A 45 31.073 -7.638 4.358 1.00 11.04 C ATOM 645 CZ2 TRP A 45 31.485 -6.401 6.866 1.00 34.24 C ATOM 646 CZ3 TRP A 45 30.131 -7.722 5.366 1.00 51.41 C ATOM 647 CH2 TRP A 45 30.340 -7.106 6.607 1.00 45.51 C ATOM 0 H TRP A 45 33.058 -6.728 -0.181 1.00 11.53 H new ATOM 0 HA TRP A 45 33.997 -4.982 2.020 1.00 34.13 H new ATOM 0 HB2 TRP A 45 32.785 -7.561 2.007 1.00 13.54 H new ATOM 0 HB3 TRP A 45 34.473 -7.817 2.402 1.00 13.54 H new ATOM 0 HD1 TRP A 45 35.197 -5.498 4.305 1.00 45.44 H new ATOM 0 HE1 TRP A 45 34.061 -5.161 6.603 1.00 12.42 H new ATOM 0 HE3 TRP A 45 30.902 -8.115 3.404 1.00 11.04 H new ATOM 0 HZ2 TRP A 45 31.645 -5.928 7.823 1.00 34.24 H new ATOM 0 HZ3 TRP A 45 29.218 -8.272 5.194 1.00 51.41 H new ATOM 0 HH2 TRP A 45 29.584 -7.189 7.374 1.00 45.51 H new ATOM 658 N ASP A 46 36.385 -5.212 1.452 1.00 1.14 N ATOM 659 CA ASP A 46 37.793 -5.272 1.077 1.00 1.24 C ATOM 660 C ASP A 46 38.689 -5.102 2.300 1.00 11.44 C ATOM 661 O ASP A 46 38.309 -4.452 3.275 1.00 62.04 O ATOM 662 CB ASP A 46 38.113 -4.193 0.041 1.00 23.42 C ATOM 663 CG ASP A 46 38.110 -4.733 -1.376 1.00 14.43 C ATOM 664 OD1 ASP A 46 39.088 -5.409 -1.755 1.00 60.12 O ATOM 665 OD2 ASP A 46 37.129 -4.477 -2.106 1.00 35.45 O ATOM 0 H ASP A 46 36.148 -4.442 2.078 1.00 1.14 H new ATOM 0 HA ASP A 46 37.986 -6.252 0.641 1.00 1.24 H new ATOM 0 HB2 ASP A 46 37.383 -3.388 0.122 1.00 23.42 H new ATOM 0 HB3 ASP A 46 39.089 -3.761 0.260 1.00 23.42 H new ATOM 670 N SER A 47 39.879 -5.690 2.242 1.00 21.54 N ATOM 671 CA SER A 47 40.827 -5.608 3.347 1.00 23.22 C ATOM 672 C SER A 47 42.187 -5.117 2.861 1.00 63.15 C ATOM 673 O SER A 47 42.576 -5.363 1.719 1.00 51.54 O ATOM 674 CB SER A 47 40.977 -6.973 4.022 1.00 73.34 C ATOM 675 OG SER A 47 42.213 -7.070 4.708 1.00 34.41 O ATOM 0 H SER A 47 40.210 -6.229 1.442 1.00 21.54 H new ATOM 0 HA SER A 47 40.439 -4.893 4.072 1.00 23.22 H new ATOM 0 HB2 SER A 47 40.156 -7.128 4.722 1.00 73.34 H new ATOM 0 HB3 SER A 47 40.911 -7.762 3.273 1.00 73.34 H new ATOM 0 HG SER A 47 42.161 -7.784 5.377 1.00 34.41 H new ATOM 681 N SER A 48 42.906 -4.422 3.736 1.00 42.41 N ATOM 682 CA SER A 48 44.221 -3.892 3.395 1.00 4.15 C ATOM 683 C SER A 48 45.116 -4.986 2.820 1.00 34.14 C ATOM 684 O SER A 48 44.980 -6.159 3.165 1.00 35.05 O ATOM 685 CB SER A 48 44.881 -3.275 4.630 1.00 2.31 C ATOM 686 OG SER A 48 46.145 -2.719 4.309 1.00 14.11 O ATOM 0 H SER A 48 42.600 -4.213 4.686 1.00 42.41 H new ATOM 0 HA SER A 48 44.089 -3.120 2.637 1.00 4.15 H new ATOM 0 HB2 SER A 48 44.234 -2.501 5.043 1.00 2.31 H new ATOM 0 HB3 SER A 48 45.000 -4.036 5.401 1.00 2.31 H new ATOM 0 HG SER A 48 46.545 -2.330 5.114 1.00 14.11 H new ATOM 692 N ASN A 49 46.031 -4.592 1.941 1.00 72.23 N ATOM 693 CA ASN A 49 46.948 -5.539 1.316 1.00 11.32 C ATOM 694 C ASN A 49 48.394 -5.218 1.683 1.00 34.33 C ATOM 695 O ASN A 49 49.138 -4.650 0.884 1.00 63.23 O ATOM 696 CB ASN A 49 46.779 -5.517 -0.204 1.00 42.33 C ATOM 697 CG ASN A 49 47.188 -6.826 -0.850 1.00 60.44 C ATOM 698 OD1 ASN A 49 47.790 -7.687 -0.208 1.00 43.21 O ATOM 699 ND2 ASN A 49 46.862 -6.983 -2.128 1.00 53.11 N ATOM 0 H ASN A 49 46.158 -3.624 1.645 1.00 72.23 H new ATOM 0 HA ASN A 49 46.710 -6.536 1.687 1.00 11.32 H new ATOM 0 HB2 ASN A 49 45.738 -5.304 -0.448 1.00 42.33 H new ATOM 0 HB3 ASN A 49 47.376 -4.707 -0.622 1.00 42.33 H new ATOM 0 HD21 ASN A 49 47.111 -7.844 -2.616 1.00 53.11 H new ATOM 0 HD22 ASN A 49 46.363 -6.243 -2.622 1.00 53.11 H new ATOM 706 N THR A 50 48.785 -5.587 2.899 1.00 25.11 N ATOM 707 CA THR A 50 50.141 -5.339 3.373 1.00 21.12 C ATOM 708 C THR A 50 51.034 -6.554 3.146 1.00 11.41 C ATOM 709 O THR A 50 52.255 -6.429 3.052 1.00 21.45 O ATOM 710 CB THR A 50 50.155 -4.978 4.871 1.00 64.53 C ATOM 711 OG1 THR A 50 48.818 -4.957 5.382 1.00 1.01 O ATOM 712 CG2 THR A 50 50.811 -3.624 5.095 1.00 64.40 C ATOM 0 H THR A 50 48.182 -6.058 3.573 1.00 25.11 H new ATOM 0 HA THR A 50 50.527 -4.496 2.800 1.00 21.12 H new ATOM 0 HB THR A 50 50.733 -5.736 5.400 1.00 64.53 H new ATOM 0 HG1 THR A 50 48.834 -4.713 6.331 1.00 1.01 H new ATOM 0 HG21 THR A 50 50.809 -3.391 6.160 1.00 64.40 H new ATOM 0 HG22 THR A 50 51.838 -3.653 4.731 1.00 64.40 H new ATOM 0 HG23 THR A 50 50.256 -2.857 4.555 1.00 64.40 H new ATOM 720 N ASP A 51 50.417 -7.727 3.058 1.00 42.14 N ATOM 721 CA ASP A 51 51.157 -8.965 2.839 1.00 14.24 C ATOM 722 C ASP A 51 50.235 -10.065 2.323 1.00 55.45 C ATOM 723 O ASP A 51 50.607 -10.835 1.437 1.00 52.22 O ATOM 724 CB ASP A 51 51.832 -9.416 4.135 1.00 2.44 C ATOM 725 CG ASP A 51 53.201 -10.021 3.894 1.00 3.55 C ATOM 726 OD1 ASP A 51 54.088 -9.299 3.392 1.00 22.24 O ATOM 727 OD2 ASP A 51 53.386 -11.216 4.207 1.00 13.43 O ATOM 0 H ASP A 51 49.407 -7.847 3.135 1.00 42.14 H new ATOM 0 HA ASP A 51 51.922 -8.774 2.087 1.00 14.24 H new ATOM 0 HB2 ASP A 51 51.928 -8.563 4.807 1.00 2.44 H new ATOM 0 HB3 ASP A 51 51.198 -10.147 4.636 1.00 2.44 H new ATOM 732 N ILE A 52 49.031 -10.132 2.882 1.00 23.42 N ATOM 733 CA ILE A 52 48.057 -11.138 2.478 1.00 53.13 C ATOM 734 C ILE A 52 46.666 -10.798 3.002 1.00 52.50 C ATOM 735 O ILE A 52 46.462 -10.660 4.209 1.00 73.11 O ATOM 736 CB ILE A 52 48.453 -12.539 2.978 1.00 30.42 C ATOM 737 CG1 ILE A 52 47.387 -13.565 2.587 1.00 50.12 C ATOM 738 CG2 ILE A 52 48.654 -12.526 4.486 1.00 4.01 C ATOM 739 CD1 ILE A 52 47.865 -14.997 2.674 1.00 24.22 C ATOM 0 H ILE A 52 48.707 -9.502 3.616 1.00 23.42 H new ATOM 0 HA ILE A 52 48.042 -11.142 1.388 1.00 53.13 H new ATOM 0 HB ILE A 52 49.394 -12.823 2.507 1.00 30.42 H new ATOM 0 HG12 ILE A 52 46.519 -13.440 3.235 1.00 50.12 H new ATOM 0 HG13 ILE A 52 47.056 -13.362 1.568 1.00 50.12 H new ATOM 0 HG21 ILE A 52 48.934 -13.524 4.824 1.00 4.01 H new ATOM 0 HG22 ILE A 52 49.445 -11.821 4.742 1.00 4.01 H new ATOM 0 HG23 ILE A 52 47.727 -12.224 4.974 1.00 4.01 H new ATOM 0 HD11 ILE A 52 47.057 -15.669 2.383 1.00 24.22 H new ATOM 0 HD12 ILE A 52 48.714 -15.139 2.005 1.00 24.22 H new ATOM 0 HD13 ILE A 52 48.169 -15.218 3.697 1.00 24.22 H new ATOM 751 N LEU A 53 45.711 -10.664 2.088 1.00 63.43 N ATOM 752 CA LEU A 53 44.337 -10.342 2.457 1.00 4.04 C ATOM 753 C LEU A 53 43.354 -11.285 1.773 1.00 74.43 C ATOM 754 O LEU A 53 43.447 -11.529 0.570 1.00 72.33 O ATOM 755 CB LEU A 53 44.015 -8.893 2.086 1.00 21.51 C ATOM 756 CG LEU A 53 43.646 -8.642 0.624 1.00 45.54 C ATOM 757 CD1 LEU A 53 42.145 -8.771 0.422 1.00 72.33 C ATOM 758 CD2 LEU A 53 44.129 -7.268 0.181 1.00 42.00 C ATOM 0 H LEU A 53 45.863 -10.773 1.085 1.00 63.43 H new ATOM 0 HA LEU A 53 44.238 -10.465 3.536 1.00 4.04 H new ATOM 0 HB2 LEU A 53 43.190 -8.553 2.712 1.00 21.51 H new ATOM 0 HB3 LEU A 53 44.878 -8.275 2.334 1.00 21.51 H new ATOM 0 HG LEU A 53 44.140 -9.395 0.010 1.00 45.54 H new ATOM 0 HD11 LEU A 53 41.902 -8.589 -0.625 1.00 72.33 H new ATOM 0 HD12 LEU A 53 41.826 -9.776 0.699 1.00 72.33 H new ATOM 0 HD13 LEU A 53 41.630 -8.041 1.046 1.00 72.33 H new ATOM 0 HD21 LEU A 53 43.858 -7.106 -0.862 1.00 42.00 H new ATOM 0 HD22 LEU A 53 43.663 -6.501 0.800 1.00 42.00 H new ATOM 0 HD23 LEU A 53 45.212 -7.211 0.287 1.00 42.00 H new ATOM 770 N SER A 54 42.410 -11.812 2.547 1.00 51.42 N ATOM 771 CA SER A 54 41.409 -12.730 2.015 1.00 2.54 C ATOM 772 C SER A 54 40.018 -12.373 2.529 1.00 33.25 C ATOM 773 O SER A 54 39.756 -12.426 3.732 1.00 41.34 O ATOM 774 CB SER A 54 41.753 -14.170 2.399 1.00 64.15 C ATOM 775 OG SER A 54 42.860 -14.646 1.652 1.00 1.22 O ATOM 0 H SER A 54 42.317 -11.619 3.544 1.00 51.42 H new ATOM 0 HA SER A 54 41.410 -12.641 0.929 1.00 2.54 H new ATOM 0 HB2 SER A 54 41.980 -14.222 3.464 1.00 64.15 H new ATOM 0 HB3 SER A 54 40.890 -14.812 2.225 1.00 64.15 H new ATOM 0 HG SER A 54 43.061 -15.568 1.917 1.00 1.22 H new ATOM 781 N ILE A 55 39.129 -12.011 1.610 1.00 2.34 N ATOM 782 CA ILE A 55 37.764 -11.647 1.970 1.00 44.43 C ATOM 783 C ILE A 55 36.755 -12.581 1.312 1.00 32.52 C ATOM 784 O ILE A 55 36.789 -12.795 0.100 1.00 14.14 O ATOM 785 CB ILE A 55 37.443 -10.196 1.564 1.00 4.13 C ATOM 786 CG1 ILE A 55 38.472 -9.236 2.165 1.00 2.12 C ATOM 787 CG2 ILE A 55 36.038 -9.820 2.009 1.00 73.43 C ATOM 788 CD1 ILE A 55 38.545 -9.296 3.675 1.00 40.21 C ATOM 0 H ILE A 55 39.329 -11.962 0.611 1.00 2.34 H new ATOM 0 HA ILE A 55 37.688 -11.738 3.054 1.00 44.43 H new ATOM 0 HB ILE A 55 37.492 -10.119 0.478 1.00 4.13 H new ATOM 0 HG12 ILE A 55 39.455 -9.465 1.752 1.00 2.12 H new ATOM 0 HG13 ILE A 55 38.228 -8.218 1.861 1.00 2.12 H new ATOM 0 HG21 ILE A 55 35.826 -8.792 1.715 1.00 73.43 H new ATOM 0 HG22 ILE A 55 35.316 -10.488 1.539 1.00 73.43 H new ATOM 0 HG23 ILE A 55 35.963 -9.910 3.093 1.00 73.43 H new ATOM 0 HD11 ILE A 55 39.295 -8.590 4.031 1.00 40.21 H new ATOM 0 HD12 ILE A 55 37.574 -9.038 4.097 1.00 40.21 H new ATOM 0 HD13 ILE A 55 38.819 -10.304 3.986 1.00 40.21 H new ATOM 800 N SER A 56 35.856 -13.135 2.120 1.00 61.31 N ATOM 801 CA SER A 56 34.837 -14.049 1.617 1.00 21.32 C ATOM 802 C SER A 56 33.440 -13.563 1.989 1.00 12.31 C ATOM 803 O SER A 56 33.062 -13.562 3.160 1.00 4.40 O ATOM 804 CB SER A 56 35.065 -15.456 2.174 1.00 75.24 C ATOM 805 OG SER A 56 35.018 -16.426 1.142 1.00 71.42 O ATOM 0 H SER A 56 35.813 -12.967 3.125 1.00 61.31 H new ATOM 0 HA SER A 56 34.915 -14.079 0.530 1.00 21.32 H new ATOM 0 HB2 SER A 56 36.032 -15.500 2.675 1.00 75.24 H new ATOM 0 HB3 SER A 56 34.307 -15.681 2.924 1.00 75.24 H new ATOM 0 HG SER A 56 35.168 -17.316 1.523 1.00 71.42 H new ATOM 811 N ASN A 57 32.676 -13.150 0.983 1.00 45.34 N ATOM 812 CA ASN A 57 31.321 -12.660 1.203 1.00 54.34 C ATOM 813 C ASN A 57 30.536 -12.623 -0.106 1.00 23.04 C ATOM 814 O ASN A 57 30.729 -11.731 -0.931 1.00 75.35 O ATOM 815 CB ASN A 57 31.356 -11.264 1.828 1.00 13.15 C ATOM 816 CG ASN A 57 30.036 -10.532 1.683 1.00 54.30 C ATOM 817 OD1 ASN A 57 29.102 -10.753 2.454 1.00 1.25 O ATOM 818 ND2 ASN A 57 29.952 -9.654 0.690 1.00 63.33 N ATOM 0 H ASN A 57 32.973 -13.145 0.007 1.00 45.34 H new ATOM 0 HA ASN A 57 30.821 -13.345 1.887 1.00 54.34 H new ATOM 0 HB2 ASN A 57 31.607 -11.349 2.885 1.00 13.15 H new ATOM 0 HB3 ASN A 57 32.146 -10.678 1.358 1.00 13.15 H new ATOM 0 HD21 ASN A 57 29.088 -9.131 0.543 1.00 63.33 H new ATOM 0 HD22 ASN A 57 30.751 -9.502 0.075 1.00 63.33 H new ATOM 825 N ALA A 58 29.652 -13.598 -0.286 1.00 73.22 N ATOM 826 CA ALA A 58 28.836 -13.676 -1.492 1.00 24.30 C ATOM 827 C ALA A 58 27.600 -14.539 -1.264 1.00 21.42 C ATOM 828 O ALA A 58 26.479 -14.033 -1.212 1.00 21.41 O ATOM 829 CB ALA A 58 29.658 -14.223 -2.650 1.00 71.20 C ATOM 0 H ALA A 58 29.482 -14.345 0.387 1.00 73.22 H new ATOM 0 HA ALA A 58 28.502 -12.669 -1.741 1.00 24.30 H new ATOM 0 HB1 ALA A 58 29.037 -14.276 -3.544 1.00 71.20 H new ATOM 0 HB2 ALA A 58 30.507 -13.565 -2.836 1.00 71.20 H new ATOM 0 HB3 ALA A 58 30.020 -15.220 -2.400 1.00 71.20 H new ATOM 835 N SER A 59 27.812 -15.845 -1.129 1.00 10.40 N ATOM 836 CA SER A 59 26.714 -16.779 -0.911 1.00 13.21 C ATOM 837 C SER A 59 25.999 -16.480 0.404 1.00 64.13 C ATOM 838 O SER A 59 24.876 -16.931 0.629 1.00 23.21 O ATOM 839 CB SER A 59 27.233 -18.218 -0.907 1.00 3.33 C ATOM 840 OG SER A 59 26.769 -18.931 -2.040 1.00 44.21 O ATOM 0 H SER A 59 28.734 -16.280 -1.167 1.00 10.40 H new ATOM 0 HA SER A 59 26.001 -16.660 -1.727 1.00 13.21 H new ATOM 0 HB2 SER A 59 28.323 -18.215 -0.897 1.00 3.33 H new ATOM 0 HB3 SER A 59 26.907 -18.723 0.003 1.00 3.33 H new ATOM 0 HG SER A 59 27.116 -19.847 -2.015 1.00 44.21 H new ATOM 846 N ASP A 60 26.659 -15.717 1.268 1.00 42.01 N ATOM 847 CA ASP A 60 26.088 -15.356 2.560 1.00 24.24 C ATOM 848 C ASP A 60 26.150 -13.848 2.780 1.00 45.21 C ATOM 849 O ASP A 60 26.435 -13.087 1.855 1.00 62.21 O ATOM 850 CB ASP A 60 26.827 -16.079 3.688 1.00 41.11 C ATOM 851 CG ASP A 60 25.880 -16.735 4.674 1.00 40.54 C ATOM 852 OD1 ASP A 60 25.047 -16.015 5.263 1.00 32.32 O ATOM 853 OD2 ASP A 60 25.973 -17.967 4.856 1.00 15.31 O ATOM 0 H ASP A 60 27.590 -15.337 1.097 1.00 42.01 H new ATOM 0 HA ASP A 60 25.042 -15.663 2.565 1.00 24.24 H new ATOM 0 HB2 ASP A 60 27.484 -16.837 3.261 1.00 41.11 H new ATOM 0 HB3 ASP A 60 27.462 -15.368 4.217 1.00 41.11 H new ATOM 858 N SER A 61 25.881 -13.422 4.010 1.00 60.21 N ATOM 859 CA SER A 61 25.901 -12.004 4.350 1.00 64.41 C ATOM 860 C SER A 61 27.003 -11.704 5.362 1.00 71.11 C ATOM 861 O SER A 61 27.299 -10.544 5.649 1.00 15.34 O ATOM 862 CB SER A 61 24.545 -11.574 4.912 1.00 4.51 C ATOM 863 OG SER A 61 24.628 -11.317 6.303 1.00 23.34 O ATOM 0 H SER A 61 25.647 -14.039 4.788 1.00 60.21 H new ATOM 0 HA SER A 61 26.104 -11.440 3.440 1.00 64.41 H new ATOM 0 HB2 SER A 61 24.200 -10.679 4.394 1.00 4.51 H new ATOM 0 HB3 SER A 61 23.807 -12.354 4.727 1.00 4.51 H new ATOM 0 HG SER A 61 23.749 -11.042 6.638 1.00 23.34 H new ATOM 869 N HIS A 62 27.607 -12.759 5.900 1.00 45.15 N ATOM 870 CA HIS A 62 28.677 -12.610 6.880 1.00 43.34 C ATOM 871 C HIS A 62 29.980 -12.194 6.203 1.00 61.22 C ATOM 872 O HIS A 62 30.437 -12.842 5.262 1.00 34.20 O ATOM 873 CB HIS A 62 28.882 -13.917 7.646 1.00 15.21 C ATOM 874 CG HIS A 62 27.601 -14.593 8.029 1.00 1.22 C ATOM 875 ND1 HIS A 62 26.530 -13.920 8.578 1.00 31.12 N ATOM 876 CD2 HIS A 62 27.223 -15.889 7.938 1.00 33.20 C ATOM 877 CE1 HIS A 62 25.549 -14.774 8.810 1.00 53.21 C ATOM 878 NE2 HIS A 62 25.943 -15.976 8.430 1.00 45.52 N ATOM 0 H HIS A 62 27.374 -13.726 5.674 1.00 45.15 H new ATOM 0 HA HIS A 62 28.387 -11.828 7.582 1.00 43.34 H new ATOM 0 HB2 HIS A 62 29.474 -14.598 7.035 1.00 15.21 H new ATOM 0 HB3 HIS A 62 29.460 -13.714 8.548 1.00 15.21 H new ATOM 0 HD2 HIS A 62 27.817 -16.704 7.551 1.00 33.20 H new ATOM 0 HE1 HIS A 62 24.588 -14.530 9.238 1.00 53.21 H new ATOM 0 HE2 HIS A 62 25.388 -16.829 8.492 1.00 45.52 H new ATOM 886 N GLY A 63 30.574 -11.108 6.688 1.00 13.15 N ATOM 887 CA GLY A 63 31.817 -10.624 6.118 1.00 63.32 C ATOM 888 C GLY A 63 33.034 -11.124 6.871 1.00 31.22 C ATOM 889 O GLY A 63 33.493 -10.485 7.818 1.00 1.54 O ATOM 0 H GLY A 63 30.216 -10.554 7.466 1.00 13.15 H new ATOM 0 HA2 GLY A 63 31.883 -10.940 5.077 1.00 63.32 H new ATOM 0 HA3 GLY A 63 31.814 -9.534 6.121 1.00 63.32 H new ATOM 893 N LEU A 64 33.557 -12.271 6.452 1.00 21.12 N ATOM 894 CA LEU A 64 34.728 -12.858 7.095 1.00 33.21 C ATOM 895 C LEU A 64 36.015 -12.315 6.483 1.00 71.11 C ATOM 896 O LEU A 64 36.472 -12.796 5.446 1.00 13.32 O ATOM 897 CB LEU A 64 34.693 -14.382 6.969 1.00 72.23 C ATOM 898 CG LEU A 64 34.521 -14.935 5.553 1.00 12.42 C ATOM 899 CD1 LEU A 64 35.538 -16.032 5.281 1.00 3.41 C ATOM 900 CD2 LEU A 64 33.105 -15.456 5.352 1.00 3.25 C ATOM 0 H LEU A 64 33.189 -12.813 5.670 1.00 21.12 H new ATOM 0 HA LEU A 64 34.707 -12.586 8.150 1.00 33.21 H new ATOM 0 HB2 LEU A 64 35.618 -14.782 7.384 1.00 72.23 H new ATOM 0 HB3 LEU A 64 33.878 -14.759 7.586 1.00 72.23 H new ATOM 0 HG LEU A 64 34.693 -14.125 4.844 1.00 12.42 H new ATOM 0 HD11 LEU A 64 35.400 -16.413 4.269 1.00 3.41 H new ATOM 0 HD12 LEU A 64 36.545 -15.628 5.382 1.00 3.41 H new ATOM 0 HD13 LEU A 64 35.399 -16.843 5.996 1.00 3.41 H new ATOM 0 HD21 LEU A 64 33.001 -15.845 4.339 1.00 3.25 H new ATOM 0 HD22 LEU A 64 32.905 -16.252 6.069 1.00 3.25 H new ATOM 0 HD23 LEU A 64 32.394 -14.644 5.503 1.00 3.25 H new ATOM 912 N ALA A 65 36.596 -11.312 7.133 1.00 52.12 N ATOM 913 CA ALA A 65 37.833 -10.707 6.655 1.00 54.51 C ATOM 914 C ALA A 65 39.042 -11.278 7.387 1.00 1.42 C ATOM 915 O ALA A 65 39.253 -11.001 8.568 1.00 53.51 O ATOM 916 CB ALA A 65 37.778 -9.195 6.820 1.00 5.11 C ATOM 0 H ALA A 65 36.230 -10.901 7.992 1.00 52.12 H new ATOM 0 HA ALA A 65 37.939 -10.942 5.596 1.00 54.51 H new ATOM 0 HB1 ALA A 65 38.708 -8.756 6.459 1.00 5.11 H new ATOM 0 HB2 ALA A 65 36.942 -8.797 6.246 1.00 5.11 H new ATOM 0 HB3 ALA A 65 37.645 -8.949 7.873 1.00 5.11 H new ATOM 922 N SER A 66 39.834 -12.077 6.679 1.00 12.31 N ATOM 923 CA SER A 66 41.020 -12.691 7.264 1.00 43.34 C ATOM 924 C SER A 66 42.291 -12.070 6.692 1.00 41.34 C ATOM 925 O SER A 66 42.339 -11.690 5.521 1.00 21.20 O ATOM 926 CB SER A 66 41.017 -14.199 7.010 1.00 64.43 C ATOM 927 OG SER A 66 41.553 -14.503 5.733 1.00 1.33 O ATOM 0 H SER A 66 39.676 -12.314 5.700 1.00 12.31 H new ATOM 0 HA SER A 66 41.000 -12.511 8.339 1.00 43.34 H new ATOM 0 HB2 SER A 66 41.600 -14.702 7.782 1.00 64.43 H new ATOM 0 HB3 SER A 66 39.998 -14.581 7.080 1.00 64.43 H new ATOM 0 HG SER A 66 41.541 -15.473 5.596 1.00 1.33 H new ATOM 933 N THR A 67 43.321 -11.969 7.527 1.00 53.23 N ATOM 934 CA THR A 67 44.592 -11.393 7.107 1.00 70.35 C ATOM 935 C THR A 67 45.757 -12.022 7.863 1.00 52.22 C ATOM 936 O THR A 67 45.561 -12.706 8.868 1.00 12.02 O ATOM 937 CB THR A 67 44.617 -9.868 7.323 1.00 62.40 C ATOM 938 OG1 THR A 67 43.528 -9.475 8.165 1.00 31.11 O ATOM 939 CG2 THR A 67 44.530 -9.132 5.995 1.00 53.21 C ATOM 0 H THR A 67 43.299 -12.279 8.499 1.00 53.23 H new ATOM 0 HA THR A 67 44.698 -11.603 6.043 1.00 70.35 H new ATOM 0 HB THR A 67 45.560 -9.606 7.804 1.00 62.40 H new ATOM 0 HG1 THR A 67 43.798 -8.708 8.712 1.00 31.11 H new ATOM 0 HG21 THR A 67 44.549 -8.057 6.173 1.00 53.21 H new ATOM 0 HG22 THR A 67 45.377 -9.411 5.368 1.00 53.21 H new ATOM 0 HG23 THR A 67 43.601 -9.400 5.491 1.00 53.21 H new ATOM 947 N LEU A 68 46.969 -11.786 7.374 1.00 3.44 N ATOM 948 CA LEU A 68 48.167 -12.328 8.005 1.00 24.44 C ATOM 949 C LEU A 68 49.388 -11.474 7.681 1.00 4.44 C ATOM 950 O LEU A 68 50.463 -11.995 7.388 1.00 61.25 O ATOM 951 CB LEU A 68 48.402 -13.768 7.545 1.00 21.34 C ATOM 952 CG LEU A 68 48.928 -14.735 8.607 1.00 4.20 C ATOM 953 CD1 LEU A 68 47.988 -15.919 8.764 1.00 74.32 C ATOM 954 CD2 LEU A 68 50.330 -15.208 8.250 1.00 52.03 C ATOM 0 H LEU A 68 47.148 -11.223 6.543 1.00 3.44 H new ATOM 0 HA LEU A 68 48.015 -12.317 9.084 1.00 24.44 H new ATOM 0 HB2 LEU A 68 47.463 -14.162 7.157 1.00 21.34 H new ATOM 0 HB3 LEU A 68 49.108 -13.752 6.715 1.00 21.34 H new ATOM 0 HG LEU A 68 48.976 -14.207 9.559 1.00 4.20 H new ATOM 0 HD11 LEU A 68 48.379 -16.596 9.524 1.00 74.32 H new ATOM 0 HD12 LEU A 68 47.003 -15.564 9.067 1.00 74.32 H new ATOM 0 HD13 LEU A 68 47.907 -16.448 7.814 1.00 74.32 H new ATOM 0 HD21 LEU A 68 50.688 -15.895 9.016 1.00 52.03 H new ATOM 0 HD22 LEU A 68 50.308 -15.718 7.287 1.00 52.03 H new ATOM 0 HD23 LEU A 68 50.999 -14.350 8.190 1.00 52.03 H new ATOM 966 N ASN A 69 49.215 -10.157 7.739 1.00 30.14 N ATOM 967 CA ASN A 69 50.303 -9.229 7.454 1.00 65.53 C ATOM 968 C ASN A 69 50.742 -8.499 8.719 1.00 22.34 C ATOM 969 O ASN A 69 50.131 -8.649 9.777 1.00 55.42 O ATOM 970 CB ASN A 69 49.873 -8.217 6.391 1.00 54.13 C ATOM 971 CG ASN A 69 48.733 -7.334 6.862 1.00 41.15 C ATOM 972 OD1 ASN A 69 48.898 -6.522 7.772 1.00 53.31 O ATOM 973 ND2 ASN A 69 47.569 -7.490 6.242 1.00 40.23 N ATOM 0 H ASN A 69 48.331 -9.709 7.981 1.00 30.14 H new ATOM 0 HA ASN A 69 51.148 -9.805 7.077 1.00 65.53 H new ATOM 0 HB2 ASN A 69 50.725 -7.593 6.121 1.00 54.13 H new ATOM 0 HB3 ASN A 69 49.569 -8.748 5.489 1.00 54.13 H new ATOM 0 HD21 ASN A 69 46.766 -6.924 6.515 1.00 40.23 H new ATOM 0 HD22 ASN A 69 47.478 -8.176 5.492 1.00 40.23 H new ATOM 980 N GLN A 70 51.805 -7.710 8.602 1.00 11.33 N ATOM 981 CA GLN A 70 52.325 -6.957 9.737 1.00 2.52 C ATOM 982 C GLN A 70 52.089 -5.461 9.552 1.00 30.25 C ATOM 983 O GLN A 70 52.390 -4.900 8.500 1.00 62.32 O ATOM 984 CB GLN A 70 53.819 -7.231 9.916 1.00 4.53 C ATOM 985 CG GLN A 70 54.673 -6.728 8.763 1.00 53.11 C ATOM 986 CD GLN A 70 56.052 -7.357 8.739 1.00 35.44 C ATOM 987 OE1 GLN A 70 56.253 -8.457 9.255 1.00 24.21 O ATOM 988 NE2 GLN A 70 57.010 -6.662 8.139 1.00 41.21 N ATOM 0 H GLN A 70 52.323 -7.576 7.733 1.00 11.33 H new ATOM 0 HA GLN A 70 51.793 -7.282 10.631 1.00 2.52 H new ATOM 0 HB2 GLN A 70 54.158 -6.762 10.840 1.00 4.53 H new ATOM 0 HB3 GLN A 70 53.972 -8.304 10.029 1.00 4.53 H new ATOM 0 HG2 GLN A 70 54.166 -6.939 7.822 1.00 53.11 H new ATOM 0 HG3 GLN A 70 54.773 -5.645 8.836 1.00 53.11 H new ATOM 0 HE21 GLN A 70 56.798 -5.754 7.725 1.00 41.21 H new ATOM 0 HE22 GLN A 70 57.958 -7.036 8.092 1.00 41.21 H new ATOM 997 N GLY A 71 51.547 -4.821 10.584 1.00 50.40 N ATOM 998 CA GLY A 71 51.279 -3.396 10.515 1.00 71.13 C ATOM 999 C GLY A 71 49.853 -3.055 10.901 1.00 4.10 C ATOM 1000 O GLY A 71 49.399 -3.401 11.990 1.00 32.14 O ATOM 0 H GLY A 71 51.289 -5.264 11.466 1.00 50.40 H new ATOM 0 HA2 GLY A 71 51.967 -2.868 11.175 1.00 71.13 H new ATOM 0 HA3 GLY A 71 51.473 -3.042 9.503 1.00 71.13 H new ATOM 1004 N ASN A 72 49.147 -2.372 10.006 1.00 33.11 N ATOM 1005 CA ASN A 72 47.765 -1.982 10.260 1.00 13.32 C ATOM 1006 C ASN A 72 46.873 -2.334 9.074 1.00 71.34 C ATOM 1007 O ASN A 72 47.324 -2.355 7.928 1.00 22.34 O ATOM 1008 CB ASN A 72 47.681 -0.481 10.547 1.00 23.10 C ATOM 1009 CG ASN A 72 47.679 0.351 9.279 1.00 74.40 C ATOM 1010 OD1 ASN A 72 46.627 0.604 8.692 1.00 15.51 O ATOM 1011 ND2 ASN A 72 48.860 0.779 8.850 1.00 1.12 N ATOM 0 H ASN A 72 49.509 -2.077 9.099 1.00 33.11 H new ATOM 0 HA ASN A 72 47.413 -2.533 11.132 1.00 13.32 H new ATOM 0 HB2 ASN A 72 46.775 -0.273 11.116 1.00 23.10 H new ATOM 0 HB3 ASN A 72 48.524 -0.185 11.171 1.00 23.10 H new ATOM 0 HD21 ASN A 72 48.921 1.342 8.002 1.00 1.12 H new ATOM 0 HD22 ASN A 72 49.706 0.545 9.369 1.00 1.12 H new ATOM 1018 N VAL A 73 45.604 -2.610 9.356 1.00 75.42 N ATOM 1019 CA VAL A 73 44.647 -2.960 8.312 1.00 21.44 C ATOM 1020 C VAL A 73 43.327 -2.223 8.507 1.00 30.33 C ATOM 1021 O VAL A 73 42.836 -2.092 9.629 1.00 73.04 O ATOM 1022 CB VAL A 73 44.377 -4.477 8.285 1.00 53.54 C ATOM 1023 CG1 VAL A 73 43.349 -4.816 7.216 1.00 63.34 C ATOM 1024 CG2 VAL A 73 45.670 -5.244 8.056 1.00 41.23 C ATOM 0 H VAL A 73 45.214 -2.598 10.299 1.00 75.42 H new ATOM 0 HA VAL A 73 45.090 -2.660 7.362 1.00 21.44 H new ATOM 0 HB VAL A 73 43.972 -4.775 9.252 1.00 53.54 H new ATOM 0 HG11 VAL A 73 43.170 -5.891 7.211 1.00 63.34 H new ATOM 0 HG12 VAL A 73 42.416 -4.294 7.430 1.00 63.34 H new ATOM 0 HG13 VAL A 73 43.723 -4.506 6.240 1.00 63.34 H new ATOM 0 HG21 VAL A 73 45.461 -6.314 8.040 1.00 41.23 H new ATOM 0 HG22 VAL A 73 46.106 -4.945 7.103 1.00 41.23 H new ATOM 0 HG23 VAL A 73 46.371 -5.024 8.861 1.00 41.23 H new ATOM 1034 N LYS A 74 42.756 -1.743 7.408 1.00 72.53 N ATOM 1035 CA LYS A 74 41.491 -1.020 7.455 1.00 34.34 C ATOM 1036 C LYS A 74 40.457 -1.671 6.541 1.00 3.22 C ATOM 1037 O LYS A 74 40.652 -1.756 5.329 1.00 45.13 O ATOM 1038 CB LYS A 74 41.699 0.440 7.049 1.00 12.43 C ATOM 1039 CG LYS A 74 40.824 1.416 7.817 1.00 75.11 C ATOM 1040 CD LYS A 74 39.359 1.264 7.443 1.00 34.11 C ATOM 1041 CE LYS A 74 38.525 0.809 8.631 1.00 55.30 C ATOM 1042 NZ LYS A 74 38.604 1.771 9.765 1.00 11.20 N ATOM 0 H LYS A 74 43.150 -1.842 6.472 1.00 72.53 H new ATOM 0 HA LYS A 74 41.119 -1.056 8.479 1.00 34.34 H new ATOM 0 HB2 LYS A 74 42.745 0.705 7.202 1.00 12.43 H new ATOM 0 HB3 LYS A 74 41.496 0.544 5.983 1.00 12.43 H new ATOM 0 HG2 LYS A 74 40.946 1.251 8.888 1.00 75.11 H new ATOM 0 HG3 LYS A 74 41.149 2.436 7.612 1.00 75.11 H new ATOM 0 HD2 LYS A 74 38.977 2.215 7.071 1.00 34.11 H new ATOM 0 HD3 LYS A 74 39.262 0.543 6.632 1.00 34.11 H new ATOM 0 HE2 LYS A 74 37.486 0.695 8.323 1.00 55.30 H new ATOM 0 HE3 LYS A 74 38.868 -0.171 8.962 1.00 55.30 H new ATOM 0 HZ1 LYS A 74 37.729 1.719 10.326 1.00 11.20 H new ATOM 0 HZ2 LYS A 74 39.416 1.531 10.368 1.00 11.20 H new ATOM 0 HZ3 LYS A 74 38.721 2.736 9.394 1.00 11.20 H new ATOM 1056 N VAL A 75 39.357 -2.127 7.130 1.00 34.53 N ATOM 1057 CA VAL A 75 38.291 -2.768 6.368 1.00 2.12 C ATOM 1058 C VAL A 75 37.164 -1.786 6.068 1.00 62.24 C ATOM 1059 O VAL A 75 36.781 -0.983 6.919 1.00 73.30 O ATOM 1060 CB VAL A 75 37.713 -3.981 7.121 1.00 5.25 C ATOM 1061 CG1 VAL A 75 36.755 -4.756 6.230 1.00 21.02 C ATOM 1062 CG2 VAL A 75 38.834 -4.880 7.622 1.00 10.42 C ATOM 0 H VAL A 75 39.180 -2.065 8.133 1.00 34.53 H new ATOM 0 HA VAL A 75 38.732 -3.108 5.431 1.00 2.12 H new ATOM 0 HB VAL A 75 37.155 -3.619 7.984 1.00 5.25 H new ATOM 0 HG11 VAL A 75 36.357 -5.609 6.779 1.00 21.02 H new ATOM 0 HG12 VAL A 75 35.935 -4.106 5.925 1.00 21.02 H new ATOM 0 HG13 VAL A 75 37.286 -5.109 5.346 1.00 21.02 H new ATOM 0 HG21 VAL A 75 38.408 -5.732 8.152 1.00 10.42 H new ATOM 0 HG22 VAL A 75 39.421 -5.236 6.775 1.00 10.42 H new ATOM 0 HG23 VAL A 75 39.477 -4.317 8.298 1.00 10.42 H new ATOM 1072 N THR A 76 36.635 -1.856 4.850 1.00 43.32 N ATOM 1073 CA THR A 76 35.552 -0.973 4.435 1.00 21.14 C ATOM 1074 C THR A 76 34.448 -1.752 3.730 1.00 53.31 C ATOM 1075 O THR A 76 34.708 -2.502 2.790 1.00 74.02 O ATOM 1076 CB THR A 76 36.061 0.138 3.498 1.00 55.32 C ATOM 1077 OG1 THR A 76 37.434 0.428 3.781 1.00 61.54 O ATOM 1078 CG2 THR A 76 35.228 1.402 3.655 1.00 21.21 C ATOM 0 H THR A 76 36.939 -2.515 4.134 1.00 43.32 H new ATOM 0 HA THR A 76 35.150 -0.518 5.340 1.00 21.14 H new ATOM 0 HB THR A 76 35.969 -0.214 2.471 1.00 55.32 H new ATOM 0 HG1 THR A 76 37.750 1.134 3.179 1.00 61.54 H new ATOM 0 HG21 THR A 76 35.606 2.173 2.983 1.00 21.21 H new ATOM 0 HG22 THR A 76 34.188 1.185 3.410 1.00 21.21 H new ATOM 0 HG23 THR A 76 35.292 1.755 4.684 1.00 21.21 H new ATOM 1086 N ALA A 77 33.214 -1.568 4.189 1.00 3.22 N ATOM 1087 CA ALA A 77 32.070 -2.251 3.600 1.00 73.33 C ATOM 1088 C ALA A 77 30.811 -1.395 3.693 1.00 22.44 C ATOM 1089 O ALA A 77 30.532 -0.798 4.732 1.00 15.54 O ATOM 1090 CB ALA A 77 31.849 -3.594 4.280 1.00 20.13 C ATOM 0 H ALA A 77 32.982 -0.951 4.967 1.00 3.22 H new ATOM 0 HA ALA A 77 32.284 -2.421 2.545 1.00 73.33 H new ATOM 0 HB1 ALA A 77 30.991 -4.093 3.830 1.00 20.13 H new ATOM 0 HB2 ALA A 77 32.736 -4.215 4.156 1.00 20.13 H new ATOM 0 HB3 ALA A 77 31.661 -3.437 5.342 1.00 20.13 H new ATOM 1096 N SER A 78 30.056 -1.341 2.601 1.00 13.41 N ATOM 1097 CA SER A 78 28.829 -0.554 2.559 1.00 13.20 C ATOM 1098 C SER A 78 27.757 -1.263 1.737 1.00 14.13 C ATOM 1099 O SER A 78 28.045 -1.844 0.691 1.00 53.15 O ATOM 1100 CB SER A 78 29.106 0.831 1.970 1.00 32.15 C ATOM 1101 OG SER A 78 29.540 0.736 0.625 1.00 74.42 O ATOM 0 H SER A 78 30.272 -1.833 1.734 1.00 13.41 H new ATOM 0 HA SER A 78 28.464 -0.441 3.580 1.00 13.20 H new ATOM 0 HB2 SER A 78 28.203 1.439 2.022 1.00 32.15 H new ATOM 0 HB3 SER A 78 29.866 1.338 2.565 1.00 32.15 H new ATOM 0 HG SER A 78 29.709 1.634 0.271 1.00 74.42 H new ATOM 1107 N ILE A 79 26.520 -1.210 2.219 1.00 35.44 N ATOM 1108 CA ILE A 79 25.404 -1.846 1.530 1.00 72.31 C ATOM 1109 C ILE A 79 24.180 -0.937 1.510 1.00 32.11 C ATOM 1110 O ILE A 79 23.686 -0.520 2.557 1.00 62.10 O ATOM 1111 CB ILE A 79 25.024 -3.185 2.189 1.00 21.40 C ATOM 1112 CG1 ILE A 79 23.816 -3.802 1.482 1.00 73.42 C ATOM 1113 CG2 ILE A 79 24.733 -2.984 3.669 1.00 53.45 C ATOM 1114 CD1 ILE A 79 23.677 -5.291 1.711 1.00 73.11 C ATOM 0 H ILE A 79 26.265 -0.733 3.084 1.00 35.44 H new ATOM 0 HA ILE A 79 25.731 -2.034 0.507 1.00 72.31 H new ATOM 0 HB ILE A 79 25.866 -3.871 2.094 1.00 21.40 H new ATOM 0 HG12 ILE A 79 22.910 -3.304 1.827 1.00 73.42 H new ATOM 0 HG13 ILE A 79 23.896 -3.613 0.411 1.00 73.42 H new ATOM 0 HG21 ILE A 79 24.466 -3.940 4.120 1.00 53.45 H new ATOM 0 HG22 ILE A 79 25.619 -2.584 4.163 1.00 53.45 H new ATOM 0 HG23 ILE A 79 23.906 -2.284 3.785 1.00 53.45 H new ATOM 0 HD11 ILE A 79 22.800 -5.660 1.180 1.00 73.11 H new ATOM 0 HD12 ILE A 79 24.566 -5.801 1.341 1.00 73.11 H new ATOM 0 HD13 ILE A 79 23.565 -5.486 2.777 1.00 73.11 H new ATOM 1126 N GLY A 80 23.693 -0.635 0.310 1.00 0.32 N ATOM 1127 CA GLY A 80 22.529 0.222 0.176 1.00 22.20 C ATOM 1128 C GLY A 80 22.718 1.566 0.850 1.00 42.53 C ATOM 1129 O GLY A 80 23.356 2.462 0.297 1.00 73.44 O ATOM 0 H GLY A 80 24.084 -0.968 -0.571 1.00 0.32 H new ATOM 0 HA2 GLY A 80 22.315 0.376 -0.882 1.00 22.20 H new ATOM 0 HA3 GLY A 80 21.662 -0.278 0.607 1.00 22.20 H new ATOM 1133 N GLY A 81 22.161 1.710 2.048 1.00 32.03 N ATOM 1134 CA GLY A 81 22.281 2.959 2.778 1.00 71.14 C ATOM 1135 C GLY A 81 23.362 2.909 3.839 1.00 33.32 C ATOM 1136 O GLY A 81 24.474 3.390 3.625 1.00 45.24 O ATOM 0 H GLY A 81 21.628 0.984 2.527 1.00 32.03 H new ATOM 0 HA2 GLY A 81 22.500 3.766 2.078 1.00 71.14 H new ATOM 0 HA3 GLY A 81 21.326 3.195 3.248 1.00 71.14 H new ATOM 1140 N ILE A 82 23.034 2.326 4.988 1.00 41.33 N ATOM 1141 CA ILE A 82 23.985 2.216 6.086 1.00 5.04 C ATOM 1142 C ILE A 82 25.186 1.363 5.691 1.00 73.32 C ATOM 1143 O ILE A 82 25.063 0.437 4.889 1.00 25.24 O ATOM 1144 CB ILE A 82 23.329 1.609 7.341 1.00 63.05 C ATOM 1145 CG1 ILE A 82 22.058 2.380 7.701 1.00 35.51 C ATOM 1146 CG2 ILE A 82 24.307 1.615 8.506 1.00 43.42 C ATOM 1147 CD1 ILE A 82 22.314 3.816 8.100 1.00 70.02 C ATOM 0 H ILE A 82 22.117 1.923 5.182 1.00 41.33 H new ATOM 0 HA ILE A 82 24.321 3.228 6.314 1.00 5.04 H new ATOM 0 HB ILE A 82 23.057 0.576 7.127 1.00 63.05 H new ATOM 0 HG12 ILE A 82 21.379 2.364 6.848 1.00 35.51 H new ATOM 0 HG13 ILE A 82 21.552 1.869 8.520 1.00 35.51 H new ATOM 0 HG21 ILE A 82 23.829 1.183 9.385 1.00 43.42 H new ATOM 0 HG22 ILE A 82 25.187 1.026 8.246 1.00 43.42 H new ATOM 0 HG23 ILE A 82 24.608 2.640 8.723 1.00 43.42 H new ATOM 0 HD11 ILE A 82 21.368 4.301 8.341 1.00 70.02 H new ATOM 0 HD12 ILE A 82 22.967 3.840 8.972 1.00 70.02 H new ATOM 0 HD13 ILE A 82 22.791 4.343 7.274 1.00 70.02 H new ATOM 1159 N GLN A 83 26.344 1.681 6.260 1.00 61.52 N ATOM 1160 CA GLN A 83 27.567 0.942 5.967 1.00 74.31 C ATOM 1161 C GLN A 83 28.342 0.644 7.246 1.00 60.51 C ATOM 1162 O GLN A 83 28.117 1.270 8.280 1.00 3.24 O ATOM 1163 CB GLN A 83 28.445 1.732 4.996 1.00 3.52 C ATOM 1164 CG GLN A 83 28.825 3.113 5.506 1.00 1.32 C ATOM 1165 CD GLN A 83 30.146 3.118 6.250 1.00 61.22 C ATOM 1166 OE1 GLN A 83 31.200 2.859 5.668 1.00 20.31 O ATOM 1167 NE2 GLN A 83 30.097 3.413 7.543 1.00 14.44 N ATOM 0 H GLN A 83 26.461 2.445 6.926 1.00 61.52 H new ATOM 0 HA GLN A 83 27.288 -0.005 5.504 1.00 74.31 H new ATOM 0 HB2 GLN A 83 29.354 1.164 4.797 1.00 3.52 H new ATOM 0 HB3 GLN A 83 27.920 1.836 4.047 1.00 3.52 H new ATOM 0 HG2 GLN A 83 28.884 3.803 4.664 1.00 1.32 H new ATOM 0 HG3 GLN A 83 28.039 3.481 6.166 1.00 1.32 H new ATOM 0 HE21 GLN A 83 29.202 3.621 7.985 1.00 14.44 H new ATOM 0 HE22 GLN A 83 30.955 3.431 8.095 1.00 14.44 H new ATOM 1176 N GLY A 84 29.256 -0.319 7.167 1.00 4.33 N ATOM 1177 CA GLY A 84 30.051 -0.683 8.326 1.00 72.54 C ATOM 1178 C GLY A 84 31.492 -0.989 7.968 1.00 52.25 C ATOM 1179 O GLY A 84 31.772 -1.520 6.893 1.00 3.01 O ATOM 0 H GLY A 84 29.460 -0.853 6.322 1.00 4.33 H new ATOM 0 HA2 GLY A 84 30.025 0.131 9.051 1.00 72.54 H new ATOM 0 HA3 GLY A 84 29.607 -1.554 8.808 1.00 72.54 H new ATOM 1183 N SER A 85 32.408 -0.651 8.869 1.00 23.10 N ATOM 1184 CA SER A 85 33.829 -0.887 8.640 1.00 31.43 C ATOM 1185 C SER A 85 34.491 -1.467 9.887 1.00 51.42 C ATOM 1186 O SER A 85 34.256 -1.002 11.003 1.00 51.32 O ATOM 1187 CB SER A 85 34.525 0.414 8.237 1.00 65.41 C ATOM 1188 OG SER A 85 33.679 1.531 8.444 1.00 73.12 O ATOM 0 H SER A 85 32.192 -0.213 9.764 1.00 23.10 H new ATOM 0 HA SER A 85 33.927 -1.609 7.829 1.00 31.43 H new ATOM 0 HB2 SER A 85 35.440 0.535 8.817 1.00 65.41 H new ATOM 0 HB3 SER A 85 34.816 0.364 7.188 1.00 65.41 H new ATOM 0 HG SER A 85 34.148 2.350 8.180 1.00 73.12 H new ATOM 1194 N THR A 86 35.321 -2.486 9.689 1.00 60.10 N ATOM 1195 CA THR A 86 36.017 -3.131 10.795 1.00 11.13 C ATOM 1196 C THR A 86 37.485 -2.722 10.834 1.00 31.34 C ATOM 1197 O THR A 86 38.136 -2.610 9.795 1.00 33.04 O ATOM 1198 CB THR A 86 35.925 -4.666 10.699 1.00 43.54 C ATOM 1199 OG1 THR A 86 36.781 -5.142 9.654 1.00 73.50 O ATOM 1200 CG2 THR A 86 34.494 -5.106 10.430 1.00 23.41 C ATOM 0 H THR A 86 35.528 -2.883 8.772 1.00 60.10 H new ATOM 0 HA THR A 86 35.527 -2.802 11.711 1.00 11.13 H new ATOM 0 HB THR A 86 36.245 -5.089 11.651 1.00 43.54 H new ATOM 0 HG1 THR A 86 36.719 -6.119 9.600 1.00 73.50 H new ATOM 0 HG21 THR A 86 34.454 -6.193 10.366 1.00 23.41 H new ATOM 0 HG22 THR A 86 33.850 -4.766 11.241 1.00 23.41 H new ATOM 0 HG23 THR A 86 34.151 -4.674 9.490 1.00 23.41 H new ATOM 1208 N ASP A 87 38.001 -2.502 12.038 1.00 11.25 N ATOM 1209 CA ASP A 87 39.394 -2.107 12.213 1.00 71.21 C ATOM 1210 C ASP A 87 40.239 -3.289 12.677 1.00 4.14 C ATOM 1211 O ASP A 87 39.917 -3.945 13.668 1.00 31.10 O ATOM 1212 CB ASP A 87 39.499 -0.961 13.220 1.00 23.34 C ATOM 1213 CG ASP A 87 40.933 -0.530 13.459 1.00 50.25 C ATOM 1214 OD1 ASP A 87 41.519 0.105 12.557 1.00 74.13 O ATOM 1215 OD2 ASP A 87 41.470 -0.827 14.546 1.00 33.54 O ATOM 0 H ASP A 87 37.476 -2.590 12.908 1.00 11.25 H new ATOM 0 HA ASP A 87 39.774 -1.768 11.249 1.00 71.21 H new ATOM 0 HB2 ASP A 87 38.922 -0.110 12.859 1.00 23.34 H new ATOM 0 HB3 ASP A 87 39.053 -1.270 14.165 1.00 23.34 H new ATOM 1220 N PHE A 88 41.322 -3.555 11.955 1.00 64.31 N ATOM 1221 CA PHE A 88 42.214 -4.659 12.292 1.00 75.54 C ATOM 1222 C PHE A 88 43.650 -4.170 12.450 1.00 61.24 C ATOM 1223 O PHE A 88 44.274 -3.719 11.489 1.00 62.21 O ATOM 1224 CB PHE A 88 42.148 -5.743 11.213 1.00 34.03 C ATOM 1225 CG PHE A 88 43.227 -6.779 11.338 1.00 24.51 C ATOM 1226 CD1 PHE A 88 43.541 -7.327 12.572 1.00 42.13 C ATOM 1227 CD2 PHE A 88 43.928 -7.207 10.222 1.00 43.20 C ATOM 1228 CE1 PHE A 88 44.535 -8.280 12.689 1.00 30.14 C ATOM 1229 CE2 PHE A 88 44.923 -8.160 10.333 1.00 31.24 C ATOM 1230 CZ PHE A 88 45.226 -8.698 11.569 1.00 72.23 C ATOM 0 H PHE A 88 41.604 -3.021 11.133 1.00 64.31 H new ATOM 0 HA PHE A 88 41.886 -5.081 13.242 1.00 75.54 H new ATOM 0 HB2 PHE A 88 41.176 -6.234 11.262 1.00 34.03 H new ATOM 0 HB3 PHE A 88 42.219 -5.273 10.232 1.00 34.03 H new ATOM 0 HD1 PHE A 88 43.003 -7.006 13.452 1.00 42.13 H new ATOM 0 HD2 PHE A 88 43.694 -6.791 9.253 1.00 43.20 H new ATOM 0 HE1 PHE A 88 44.771 -8.698 13.656 1.00 30.14 H new ATOM 0 HE2 PHE A 88 45.463 -8.483 9.455 1.00 31.24 H new ATOM 0 HZ PHE A 88 46.002 -9.444 11.659 1.00 72.23 H new ATOM 1240 N LYS A 89 44.169 -4.262 13.669 1.00 2.13 N ATOM 1241 CA LYS A 89 45.532 -3.830 13.956 1.00 60.01 C ATOM 1242 C LYS A 89 46.373 -4.992 14.476 1.00 51.41 C ATOM 1243 O LYS A 89 46.180 -5.457 15.599 1.00 12.23 O ATOM 1244 CB LYS A 89 45.524 -2.693 14.981 1.00 71.53 C ATOM 1245 CG LYS A 89 45.483 -1.310 14.355 1.00 64.25 C ATOM 1246 CD LYS A 89 46.495 -0.377 14.999 1.00 54.33 C ATOM 1247 CE LYS A 89 45.967 1.048 15.078 1.00 70.44 C ATOM 1248 NZ LYS A 89 44.910 1.191 16.117 1.00 61.21 N ATOM 0 H LYS A 89 43.666 -4.632 14.475 1.00 2.13 H new ATOM 0 HA LYS A 89 45.976 -3.470 13.028 1.00 60.01 H new ATOM 0 HB2 LYS A 89 44.661 -2.812 15.636 1.00 71.53 H new ATOM 0 HB3 LYS A 89 46.413 -2.773 15.607 1.00 71.53 H new ATOM 0 HG2 LYS A 89 45.686 -1.387 13.287 1.00 64.25 H new ATOM 0 HG3 LYS A 89 44.482 -0.891 14.460 1.00 64.25 H new ATOM 0 HD2 LYS A 89 46.734 -0.734 16.001 1.00 54.33 H new ATOM 0 HD3 LYS A 89 47.422 -0.392 14.425 1.00 54.33 H new ATOM 0 HE2 LYS A 89 46.789 1.728 15.300 1.00 70.44 H new ATOM 0 HE3 LYS A 89 45.565 1.341 14.108 1.00 70.44 H new ATOM 0 HZ1 LYS A 89 44.745 2.200 16.307 1.00 61.21 H new ATOM 0 HZ2 LYS A 89 44.029 0.754 15.779 1.00 61.21 H new ATOM 0 HZ3 LYS A 89 45.217 0.719 16.992 1.00 61.21 H new ATOM 1262 N VAL A 90 47.308 -5.455 13.652 1.00 34.02 N ATOM 1263 CA VAL A 90 48.180 -6.561 14.030 1.00 12.52 C ATOM 1264 C VAL A 90 49.510 -6.050 14.574 1.00 73.24 C ATOM 1265 O VAL A 90 50.260 -5.369 13.873 1.00 15.13 O ATOM 1266 CB VAL A 90 48.450 -7.496 12.837 1.00 43.55 C ATOM 1267 CG1 VAL A 90 48.999 -6.709 11.656 1.00 72.14 C ATOM 1268 CG2 VAL A 90 49.407 -8.608 13.238 1.00 44.23 C ATOM 0 H VAL A 90 47.481 -5.081 12.719 1.00 34.02 H new ATOM 0 HA VAL A 90 47.663 -7.120 14.809 1.00 12.52 H new ATOM 0 HB VAL A 90 47.507 -7.951 12.533 1.00 43.55 H new ATOM 0 HG11 VAL A 90 49.184 -7.386 10.822 1.00 72.14 H new ATOM 0 HG12 VAL A 90 48.275 -5.952 11.355 1.00 72.14 H new ATOM 0 HG13 VAL A 90 49.932 -6.225 11.944 1.00 72.14 H new ATOM 0 HG21 VAL A 90 49.587 -9.259 12.383 1.00 44.23 H new ATOM 0 HG22 VAL A 90 50.351 -8.174 13.568 1.00 44.23 H new ATOM 0 HG23 VAL A 90 48.970 -9.188 14.051 1.00 44.23 H new ATOM 1278 N THR A 91 49.798 -6.385 15.828 1.00 51.54 N ATOM 1279 CA THR A 91 51.037 -5.960 16.466 1.00 2.03 C ATOM 1280 C THR A 91 51.704 -7.120 17.197 1.00 45.40 C ATOM 1281 O THR A 91 51.029 -7.994 17.738 1.00 31.23 O ATOM 1282 CB THR A 91 50.791 -4.813 17.464 1.00 14.04 C ATOM 1283 OG1 THR A 91 49.551 -5.019 18.151 1.00 24.45 O ATOM 1284 CG2 THR A 91 50.763 -3.470 16.750 1.00 75.44 C ATOM 0 H THR A 91 49.190 -6.949 16.421 1.00 51.54 H new ATOM 0 HA THR A 91 51.696 -5.606 15.673 1.00 2.03 H new ATOM 0 HB THR A 91 51.609 -4.807 18.184 1.00 14.04 H new ATOM 0 HG1 THR A 91 49.403 -4.287 18.785 1.00 24.45 H new ATOM 0 HG21 THR A 91 50.588 -2.676 17.476 1.00 75.44 H new ATOM 0 HG22 THR A 91 51.718 -3.303 16.252 1.00 75.44 H new ATOM 0 HG23 THR A 91 49.963 -3.468 16.010 1.00 75.44 H new ATOM 1292 N GLN A 92 53.034 -7.119 17.209 1.00 75.34 N ATOM 1293 CA GLN A 92 53.791 -8.173 17.874 1.00 43.42 C ATOM 1294 C GLN A 92 53.484 -9.535 17.261 1.00 55.33 C ATOM 1295 O GLN A 92 54.219 -10.021 16.400 1.00 12.44 O ATOM 1296 CB GLN A 92 53.475 -8.190 19.370 1.00 31.42 C ATOM 1297 CG GLN A 92 54.709 -8.290 20.252 1.00 62.21 C ATOM 1298 CD GLN A 92 54.375 -8.658 21.684 1.00 22.11 C ATOM 1299 OE1 GLN A 92 53.387 -8.184 22.245 1.00 74.04 O ATOM 1300 NE2 GLN A 92 55.200 -9.508 22.285 1.00 11.11 N ATOM 0 H GLN A 92 53.608 -6.401 16.767 1.00 75.34 H new ATOM 0 HA GLN A 92 54.852 -7.965 17.736 1.00 43.42 H new ATOM 0 HB2 GLN A 92 52.927 -7.283 19.627 1.00 31.42 H new ATOM 0 HB3 GLN A 92 52.817 -9.032 19.584 1.00 31.42 H new ATOM 0 HG2 GLN A 92 55.387 -9.036 19.838 1.00 62.21 H new ATOM 0 HG3 GLN A 92 55.238 -7.337 20.240 1.00 62.21 H new ATOM 0 HE21 GLN A 92 56.007 -9.877 21.782 1.00 11.11 H new ATOM 0 HE22 GLN A 92 55.026 -9.792 23.249 1.00 11.11 H new TER 1309 GLN A 92