USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 931 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 112 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.13) USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 0.0465 USER MOD Set 2.1: A 22 TYR OH : rot 113:sc= 0.423 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.281 X(o=0.81,f=0.91) USER MOD Set 2.3: A 105 SER OG : rot -151:sc= 0.67 USER MOD Set 3.1: A 89 HIS : no HD1:sc= 0.87 K(o=2.1,f=-3.9!) USER MOD Set 3.2: A 119 THR OG1 : rot 66:sc= 1.2 USER MOD Set 4.1: A 64 MET CE :methyl -167:sc= -0.0321 (180deg=-0.238) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.06 K(o=1,f=-1.4) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.02 K(o=2.3,f=-4.1!) USER MOD Set 5.2: A 40 SER OG : rot -100:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.939) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 151:sc= 1.98 (180deg=1.09) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 2.44 (180deg=2.34) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.593 K(o=0.59,f=-4.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= 0.743 (180deg=-0.859) USER MOD Single : A 61 SER OG : rot -75:sc= 0.545 USER MOD Single : A 65 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.92 USER MOD Single : A 73 CYS SG : rot 124:sc= 0.946 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.14) USER MOD Single : A 82 GLN : amide:sc= 0.629 K(o=0.63,f=-0.0078) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.17) USER MOD Single : A 91 TYR OH : rot 180:sc=-0.00204 USER MOD Single : A 93 TYR OH : rot -37:sc= 0.0595 USER MOD Single : A 94 SER OG : rot 45:sc= 1.52 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.069) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 108 LYS NZ :NH3+ 142:sc= 1.97 (180deg=0.16) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.22) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.035) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.159 -7.871 22.630 1.00 0.00 N ATOM 2 CA MET A 1 -14.715 -8.120 22.846 1.00 0.00 C ATOM 3 C MET A 1 -14.174 -8.996 21.712 1.00 0.00 C ATOM 4 O MET A 1 -14.670 -10.106 21.495 1.00 0.00 O ATOM 5 CB MET A 1 -14.450 -8.743 24.233 1.00 0.00 C ATOM 6 CG MET A 1 -12.957 -8.925 24.540 1.00 0.00 C ATOM 7 SD MET A 1 -11.964 -7.405 24.486 1.00 0.00 S ATOM 8 CE MET A 1 -10.371 -8.081 25.031 1.00 0.00 C ATOM 0 H1 MET A 1 -16.528 -7.276 23.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.295 -7.385 21.721 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.670 -8.777 22.618 1.00 0.00 H new ATOM 0 HA MET A 1 -14.184 -7.168 22.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.897 -8.110 25.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.947 -9.712 24.290 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.858 -9.369 25.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.540 -9.637 23.828 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.628 -7.284 25.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.480 -8.511 26.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.047 -8.854 24.335 1.00 0.00 H new ATOM 20 N ALA A 2 -13.170 -8.508 20.975 1.00 0.00 N ATOM 21 CA ALA A 2 -12.498 -9.223 19.893 1.00 0.00 C ATOM 22 C ALA A 2 -11.076 -8.672 19.748 1.00 0.00 C ATOM 23 O ALA A 2 -10.764 -7.604 20.284 1.00 0.00 O ATOM 24 CB ALA A 2 -13.279 -9.035 18.583 1.00 0.00 C ATOM 0 H ALA A 2 -12.793 -7.572 21.123 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.454 -10.288 20.119 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.774 -9.570 17.779 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.289 -9.427 18.702 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.329 -7.974 18.338 1.00 0.00 H new ATOM 30 N VAL A 3 -10.231 -9.379 18.995 1.00 0.00 N ATOM 31 CA VAL A 3 -8.857 -8.989 18.693 1.00 0.00 C ATOM 32 C VAL A 3 -8.604 -9.396 17.234 1.00 0.00 C ATOM 33 O VAL A 3 -8.966 -10.508 16.834 1.00 0.00 O ATOM 34 CB VAL A 3 -7.863 -9.681 19.662 1.00 0.00 C ATOM 35 CG1 VAL A 3 -6.471 -9.043 19.551 1.00 0.00 C ATOM 36 CG2 VAL A 3 -8.282 -9.630 21.142 1.00 0.00 C ATOM 0 H VAL A 3 -10.495 -10.266 18.566 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.708 -7.917 18.823 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.856 -10.726 19.353 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.787 -9.541 20.238 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.102 -9.149 18.531 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.534 -7.985 19.805 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.532 -10.136 21.750 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.366 -8.591 21.461 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.245 -10.127 21.265 1.00 0.00 H new ATOM 46 N ALA A 4 -8.021 -8.497 16.435 1.00 0.00 N ATOM 47 CA ALA A 4 -7.586 -8.801 15.073 1.00 0.00 C ATOM 48 C ALA A 4 -6.273 -9.602 15.096 1.00 0.00 C ATOM 49 O ALA A 4 -5.711 -9.873 16.158 1.00 0.00 O ATOM 50 CB ALA A 4 -7.426 -7.489 14.293 1.00 0.00 C ATOM 0 H ALA A 4 -7.838 -7.534 16.718 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.335 -9.416 14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.102 -7.708 13.276 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.381 -6.964 14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.682 -6.862 14.784 1.00 0.00 H new ATOM 56 N ASP A 5 -5.747 -9.942 13.920 1.00 0.00 N ATOM 57 CA ASP A 5 -4.413 -10.512 13.746 1.00 0.00 C ATOM 58 C ASP A 5 -3.905 -10.069 12.377 1.00 0.00 C ATOM 59 O ASP A 5 -4.704 -9.930 11.447 1.00 0.00 O ATOM 60 CB ASP A 5 -4.455 -12.044 13.827 1.00 0.00 C ATOM 61 CG ASP A 5 -3.050 -12.634 13.638 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.653 -12.889 12.481 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.336 -12.826 14.647 1.00 0.00 O ATOM 0 H ASP A 5 -6.250 -9.825 13.040 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.750 -10.165 14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.858 -12.352 14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.126 -12.436 13.062 1.00 0.00 H new ATOM 68 N LEU A 6 -2.595 -9.841 12.244 1.00 0.00 N ATOM 69 CA LEU A 6 -1.980 -9.325 11.026 1.00 0.00 C ATOM 70 C LEU A 6 -2.307 -10.174 9.795 1.00 0.00 C ATOM 71 O LEU A 6 -2.446 -9.617 8.704 1.00 0.00 O ATOM 72 CB LEU A 6 -0.454 -9.228 11.209 1.00 0.00 C ATOM 73 CG LEU A 6 0.037 -8.189 12.239 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.567 -8.227 12.299 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.404 -6.759 11.910 1.00 0.00 C ATOM 0 H LEU A 6 -1.925 -10.014 12.993 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.397 -8.333 10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.080 -10.208 11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.006 -8.993 10.243 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.409 -8.456 13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.921 -7.495 13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.895 -9.223 12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.976 -7.990 11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.027 -6.077 12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.007 -6.471 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.493 -6.710 11.887 1.00 0.00 H new ATOM 87 N ALA A 7 -2.459 -11.495 9.938 1.00 0.00 N ATOM 88 CA ALA A 7 -2.766 -12.379 8.822 1.00 0.00 C ATOM 89 C ALA A 7 -4.155 -12.107 8.227 1.00 0.00 C ATOM 90 O ALA A 7 -4.382 -12.407 7.054 1.00 0.00 O ATOM 91 CB ALA A 7 -2.665 -13.840 9.274 1.00 0.00 C ATOM 0 H ALA A 7 -2.371 -11.976 10.833 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.035 -12.182 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.896 -14.497 8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.654 -14.043 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.374 -14.021 10.082 1.00 0.00 H new ATOM 97 N LEU A 8 -5.086 -11.558 9.017 1.00 0.00 N ATOM 98 CA LEU A 8 -6.452 -11.286 8.574 1.00 0.00 C ATOM 99 C LEU A 8 -6.513 -10.013 7.726 1.00 0.00 C ATOM 100 O LEU A 8 -7.436 -9.859 6.925 1.00 0.00 O ATOM 101 CB LEU A 8 -7.394 -11.125 9.783 1.00 0.00 C ATOM 102 CG LEU A 8 -7.471 -12.343 10.725 1.00 0.00 C ATOM 103 CD1 LEU A 8 -8.384 -12.021 11.913 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.987 -13.602 10.017 1.00 0.00 C ATOM 0 H LEU A 8 -4.909 -11.290 9.985 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.773 -12.135 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.071 -10.259 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.397 -10.907 9.415 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.457 -12.549 11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.436 -12.884 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.983 -11.167 12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.383 -11.782 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.022 -14.430 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.988 -13.416 9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.319 -13.856 9.194 1.00 0.00 H new ATOM 116 N ILE A 9 -5.568 -9.087 7.917 1.00 0.00 N ATOM 117 CA ILE A 9 -5.599 -7.772 7.287 1.00 0.00 C ATOM 118 C ILE A 9 -5.321 -7.947 5.783 1.00 0.00 C ATOM 119 O ILE A 9 -4.326 -8.598 5.444 1.00 0.00 O ATOM 120 CB ILE A 9 -4.560 -6.830 7.943 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.669 -6.848 9.485 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.705 -5.408 7.377 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.740 -5.881 10.223 1.00 0.00 C ATOM 0 H ILE A 9 -4.757 -9.234 8.518 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.579 -7.315 7.423 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.562 -7.194 7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.698 -6.618 9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.463 -7.860 9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.970 -4.753 7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.541 -5.427 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.708 -5.034 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.897 -5.974 11.298 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.703 -6.120 9.986 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.957 -4.859 9.912 1.00 0.00 H new ATOM 135 N PRO A 10 -6.129 -7.347 4.885 1.00 0.00 N ATOM 136 CA PRO A 10 -5.833 -7.272 3.459 1.00 0.00 C ATOM 137 C PRO A 10 -4.410 -6.767 3.211 1.00 0.00 C ATOM 138 O PRO A 10 -4.056 -5.661 3.630 1.00 0.00 O ATOM 139 CB PRO A 10 -6.882 -6.325 2.869 1.00 0.00 C ATOM 140 CG PRO A 10 -8.075 -6.498 3.804 1.00 0.00 C ATOM 141 CD PRO A 10 -7.410 -6.709 5.162 1.00 0.00 C ATOM 0 HA PRO A 10 -5.879 -8.254 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.529 -5.294 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.133 -6.592 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.722 -5.620 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.693 -7.350 3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.270 -5.760 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.027 -7.335 5.806 1.00 0.00 H new ATOM 149 N ASP A 11 -3.591 -7.584 2.549 1.00 0.00 N ATOM 150 CA ASP A 11 -2.183 -7.270 2.306 1.00 0.00 C ATOM 151 C ASP A 11 -2.026 -6.196 1.225 1.00 0.00 C ATOM 152 O ASP A 11 -1.109 -5.375 1.271 1.00 0.00 O ATOM 153 CB ASP A 11 -1.442 -8.550 1.907 1.00 0.00 C ATOM 154 CG ASP A 11 0.071 -8.369 2.040 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.543 -8.207 3.187 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.799 -8.449 1.026 1.00 0.00 O ATOM 0 H ASP A 11 -3.885 -8.482 2.166 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.752 -6.870 3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.770 -9.376 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.692 -8.814 0.879 1.00 0.00 H new ATOM 161 N VAL A 12 -2.974 -6.158 0.286 1.00 0.00 N ATOM 162 CA VAL A 12 -3.089 -5.164 -0.767 1.00 0.00 C ATOM 163 C VAL A 12 -4.586 -4.909 -0.910 1.00 0.00 C ATOM 164 O VAL A 12 -5.359 -5.865 -1.022 1.00 0.00 O ATOM 165 CB VAL A 12 -2.492 -5.699 -2.089 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.577 -4.665 -3.225 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.036 -6.156 -1.954 1.00 0.00 C ATOM 0 H VAL A 12 -3.716 -6.857 0.243 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.543 -4.251 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.105 -6.566 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.145 -5.086 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.621 -4.407 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.025 -3.768 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.678 -6.520 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.420 -5.317 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.973 -6.957 -1.217 1.00 0.00 H new ATOM 177 N ASP A 13 -5.003 -3.648 -0.934 1.00 0.00 N ATOM 178 CA ASP A 13 -6.369 -3.266 -1.281 1.00 0.00 C ATOM 179 C ASP A 13 -6.286 -1.894 -1.931 1.00 0.00 C ATOM 180 O ASP A 13 -5.889 -0.925 -1.283 1.00 0.00 O ATOM 181 CB ASP A 13 -7.293 -3.257 -0.055 1.00 0.00 C ATOM 182 CG ASP A 13 -8.726 -2.829 -0.424 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.185 -3.117 -1.552 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.429 -2.261 0.440 1.00 0.00 O ATOM 0 H ASP A 13 -4.400 -2.856 -0.712 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.806 -3.993 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.314 -4.251 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.893 -2.577 0.697 1.00 0.00 H new ATOM 189 N ILE A 14 -6.564 -1.827 -3.231 1.00 0.00 N ATOM 190 CA ILE A 14 -6.327 -0.650 -4.055 1.00 0.00 C ATOM 191 C ILE A 14 -7.505 -0.444 -5.012 1.00 0.00 C ATOM 192 O ILE A 14 -8.270 -1.374 -5.282 1.00 0.00 O ATOM 193 CB ILE A 14 -4.973 -0.775 -4.811 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.922 -2.006 -5.749 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.787 -0.784 -3.827 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.647 -2.092 -6.598 1.00 0.00 C ATOM 0 H ILE A 14 -6.969 -2.607 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.255 0.232 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.890 0.107 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.008 -2.911 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.787 -1.981 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.854 -0.872 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.782 0.144 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.885 -1.630 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.688 -2.981 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.568 -1.205 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.777 -2.151 -5.944 1.00 0.00 H new ATOM 208 N ASP A 15 -7.615 0.765 -5.562 1.00 0.00 N ATOM 209 CA ASP A 15 -8.587 1.136 -6.589 1.00 0.00 C ATOM 210 C ASP A 15 -7.837 1.788 -7.749 1.00 0.00 C ATOM 211 O ASP A 15 -8.016 2.962 -8.070 1.00 0.00 O ATOM 212 CB ASP A 15 -9.721 2.005 -6.023 1.00 0.00 C ATOM 213 CG ASP A 15 -10.757 2.355 -7.103 1.00 0.00 C ATOM 214 OD1 ASP A 15 -11.215 1.437 -7.818 1.00 0.00 O ATOM 215 OD2 ASP A 15 -11.153 3.538 -7.208 1.00 0.00 O ATOM 0 H ASP A 15 -7.008 1.540 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.091 0.245 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.211 1.477 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.304 2.922 -5.606 1.00 0.00 H new ATOM 220 N SER A 16 -6.948 1.006 -8.365 1.00 0.00 N ATOM 221 CA SER A 16 -6.142 1.330 -9.543 1.00 0.00 C ATOM 222 C SER A 16 -6.980 1.488 -10.832 1.00 0.00 C ATOM 223 O SER A 16 -6.455 1.422 -11.945 1.00 0.00 O ATOM 224 CB SER A 16 -5.061 0.241 -9.663 1.00 0.00 C ATOM 225 OG SER A 16 -5.585 -1.050 -9.376 1.00 0.00 O ATOM 0 H SER A 16 -6.759 0.062 -8.029 1.00 0.00 H new ATOM 0 HA SER A 16 -5.680 2.309 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.645 0.250 -10.670 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.243 0.463 -8.978 1.00 0.00 H new ATOM 0 HG SER A 16 -4.874 -1.718 -9.463 1.00 0.00 H new ATOM 231 N ASP A 17 -8.292 1.701 -10.692 1.00 0.00 N ATOM 232 CA ASP A 17 -9.243 2.025 -11.756 1.00 0.00 C ATOM 233 C ASP A 17 -8.876 3.330 -12.483 1.00 0.00 C ATOM 234 O ASP A 17 -9.318 3.561 -13.609 1.00 0.00 O ATOM 235 CB ASP A 17 -10.631 2.120 -11.117 1.00 0.00 C ATOM 236 CG ASP A 17 -11.709 2.650 -12.069 1.00 0.00 C ATOM 237 OD1 ASP A 17 -12.073 1.956 -13.045 1.00 0.00 O ATOM 238 OD2 ASP A 17 -12.243 3.745 -11.781 1.00 0.00 O ATOM 0 H ASP A 17 -8.744 1.648 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.222 1.245 -12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.926 1.133 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.576 2.771 -10.244 1.00 0.00 H new ATOM 243 N GLY A 18 -8.028 4.160 -11.870 1.00 0.00 N ATOM 244 CA GLY A 18 -7.402 5.322 -12.479 1.00 0.00 C ATOM 245 C GLY A 18 -5.966 5.428 -11.970 1.00 0.00 C ATOM 246 O GLY A 18 -5.597 4.768 -10.994 1.00 0.00 O ATOM 0 H GLY A 18 -7.752 4.030 -10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.412 5.231 -13.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.959 6.225 -12.230 1.00 0.00 H new ATOM 250 N VAL A 19 -5.154 6.252 -12.634 1.00 0.00 N ATOM 251 CA VAL A 19 -3.748 6.449 -12.297 1.00 0.00 C ATOM 252 C VAL A 19 -3.691 7.358 -11.062 1.00 0.00 C ATOM 253 O VAL A 19 -3.687 8.585 -11.191 1.00 0.00 O ATOM 254 CB VAL A 19 -2.976 7.008 -13.516 1.00 0.00 C ATOM 255 CG1 VAL A 19 -1.468 7.040 -13.241 1.00 0.00 C ATOM 256 CG2 VAL A 19 -3.199 6.175 -14.791 1.00 0.00 C ATOM 0 H VAL A 19 -5.461 6.808 -13.432 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.256 5.508 -12.051 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.364 8.014 -13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.948 7.437 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.269 7.676 -12.379 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.114 6.030 -13.036 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.634 6.612 -15.615 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.861 5.153 -14.621 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.260 6.170 -15.041 1.00 0.00 H new ATOM 266 N PHE A 20 -3.674 6.778 -9.862 1.00 0.00 N ATOM 267 CA PHE A 20 -3.834 7.500 -8.598 1.00 0.00 C ATOM 268 C PHE A 20 -2.864 6.999 -7.529 1.00 0.00 C ATOM 269 O PHE A 20 -2.178 5.987 -7.704 1.00 0.00 O ATOM 270 CB PHE A 20 -5.302 7.460 -8.141 1.00 0.00 C ATOM 271 CG PHE A 20 -6.116 8.613 -8.702 1.00 0.00 C ATOM 272 CD1 PHE A 20 -6.162 9.842 -8.013 1.00 0.00 C ATOM 273 CD2 PHE A 20 -6.826 8.468 -9.908 1.00 0.00 C ATOM 274 CE1 PHE A 20 -6.918 10.911 -8.527 1.00 0.00 C ATOM 275 CE2 PHE A 20 -7.584 9.535 -10.420 1.00 0.00 C ATOM 276 CZ PHE A 20 -7.631 10.758 -9.729 1.00 0.00 C ATOM 0 H PHE A 20 -3.546 5.774 -9.738 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.574 8.546 -8.763 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.751 6.517 -8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.341 7.487 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.616 9.963 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.788 7.531 -10.444 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.951 11.851 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.130 9.415 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.214 11.579 -10.121 1.00 0.00 H new ATOM 286 N LYS A 21 -2.737 7.795 -6.462 1.00 0.00 N ATOM 287 CA LYS A 21 -1.720 7.647 -5.430 1.00 0.00 C ATOM 288 C LYS A 21 -1.900 6.351 -4.642 1.00 0.00 C ATOM 289 O LYS A 21 -3.015 5.841 -4.518 1.00 0.00 O ATOM 290 CB LYS A 21 -1.760 8.854 -4.473 1.00 0.00 C ATOM 291 CG LYS A 21 -1.844 10.254 -5.115 1.00 0.00 C ATOM 292 CD LYS A 21 -0.692 10.571 -6.082 1.00 0.00 C ATOM 293 CE LYS A 21 -0.849 11.937 -6.775 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.797 13.092 -5.841 1.00 0.00 N ATOM 0 H LYS A 21 -3.362 8.583 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.749 7.605 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.617 8.733 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.867 8.821 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.789 10.340 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.857 11.004 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.250 10.553 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.635 9.789 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.062 12.049 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.799 11.956 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.620 13.965 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.704 13.173 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.031 12.947 -5.152 1.00 0.00 H new ATOM 308 N TYR A 22 -0.812 5.872 -4.044 1.00 0.00 N ATOM 309 CA TYR A 22 -0.794 4.758 -3.108 1.00 0.00 C ATOM 310 C TYR A 22 0.320 5.013 -2.076 1.00 0.00 C ATOM 311 O TYR A 22 1.242 5.788 -2.345 1.00 0.00 O ATOM 312 CB TYR A 22 -0.616 3.429 -3.874 1.00 0.00 C ATOM 313 CG TYR A 22 0.789 2.890 -3.793 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.797 3.460 -4.585 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.111 1.977 -2.774 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.141 3.186 -4.298 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.452 1.691 -2.486 1.00 0.00 C ATOM 318 CZ TYR A 22 3.467 2.331 -3.223 1.00 0.00 C ATOM 319 OH TYR A 22 4.758 2.151 -2.860 1.00 0.00 O ATOM 0 H TYR A 22 0.115 6.266 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.739 4.677 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.308 2.688 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.882 3.580 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.539 4.106 -5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.324 1.496 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.924 3.627 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.705 0.987 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 22 4.905 2.538 -1.972 1.00 0.00 H new ATOM 329 N VAL A 23 0.277 4.342 -0.924 1.00 0.00 N ATOM 330 CA VAL A 23 1.319 4.377 0.101 1.00 0.00 C ATOM 331 C VAL A 23 1.695 2.952 0.506 1.00 0.00 C ATOM 332 O VAL A 23 0.883 2.023 0.407 1.00 0.00 O ATOM 333 CB VAL A 23 0.895 5.221 1.324 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.867 6.718 0.991 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.462 4.789 1.896 1.00 0.00 C ATOM 0 H VAL A 23 -0.508 3.741 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 23 2.198 4.864 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 23 1.651 5.043 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.565 7.282 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.860 7.040 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.156 6.898 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.711 5.415 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.231 4.898 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.409 3.747 2.211 1.00 0.00 H new ATOM 345 N LEU A 24 2.927 2.804 0.997 1.00 0.00 N ATOM 346 CA LEU A 24 3.481 1.560 1.509 1.00 0.00 C ATOM 347 C LEU A 24 3.544 1.771 3.016 1.00 0.00 C ATOM 348 O LEU A 24 4.256 2.669 3.473 1.00 0.00 O ATOM 349 CB LEU A 24 4.881 1.337 0.900 1.00 0.00 C ATOM 350 CG LEU A 24 5.489 -0.076 1.038 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.485 -0.646 2.462 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.783 -1.062 0.108 1.00 0.00 C ATOM 0 H LEU A 24 3.587 3.580 1.049 1.00 0.00 H new ATOM 0 HA LEU A 24 2.891 0.679 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.832 1.582 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.568 2.048 1.360 1.00 0.00 H new ATOM 0 HG LEU A 24 6.535 0.048 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.931 -1.640 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.061 0.007 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.459 -0.711 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.227 -2.051 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.724 -1.108 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.893 -0.731 -0.925 1.00 0.00 H new ATOM 364 N ILE A 25 2.788 0.997 3.790 1.00 0.00 N ATOM 365 CA ILE A 25 2.660 1.197 5.230 1.00 0.00 C ATOM 366 C ILE A 25 3.156 -0.065 5.916 1.00 0.00 C ATOM 367 O ILE A 25 2.686 -1.163 5.619 1.00 0.00 O ATOM 368 CB ILE A 25 1.203 1.574 5.600 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.889 2.996 5.080 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.961 1.505 7.120 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.566 3.433 5.276 1.00 0.00 C ATOM 0 H ILE A 25 2.245 0.210 3.434 1.00 0.00 H new ATOM 0 HA ILE A 25 3.268 2.034 5.573 1.00 0.00 H new ATOM 0 HB ILE A 25 0.538 0.850 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.541 3.707 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.130 3.043 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.072 1.776 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.152 0.492 7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.632 2.198 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.699 4.441 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.226 2.747 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.809 3.422 6.338 1.00 0.00 H new ATOM 383 N ARG A 26 4.126 0.086 6.816 1.00 0.00 N ATOM 384 CA ARG A 26 4.531 -0.987 7.708 1.00 0.00 C ATOM 385 C ARG A 26 3.529 -0.992 8.854 1.00 0.00 C ATOM 386 O ARG A 26 3.076 0.072 9.277 1.00 0.00 O ATOM 387 CB ARG A 26 5.965 -0.752 8.197 1.00 0.00 C ATOM 388 CG ARG A 26 6.522 -1.990 8.925 1.00 0.00 C ATOM 389 CD ARG A 26 8.039 -1.911 9.128 1.00 0.00 C ATOM 390 NE ARG A 26 8.776 -2.085 7.862 1.00 0.00 N ATOM 391 CZ ARG A 26 10.056 -1.772 7.634 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.807 -1.191 8.567 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.560 -2.064 6.444 1.00 0.00 N ATOM 0 H ARG A 26 4.648 0.953 6.943 1.00 0.00 H new ATOM 0 HA ARG A 26 4.533 -1.956 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.605 -0.509 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.986 0.106 8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.033 -2.090 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.280 -2.885 8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.296 -0.947 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.350 -2.678 9.837 1.00 0.00 H new ATOM 0 HE ARG A 26 8.256 -2.485 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.408 -0.975 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.781 -0.962 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.975 -2.512 5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.533 -1.840 6.233 1.00 0.00 H new ATOM 407 N VAL A 27 3.217 -2.173 9.363 1.00 0.00 N ATOM 408 CA VAL A 27 2.222 -2.434 10.383 1.00 0.00 C ATOM 409 C VAL A 27 2.940 -3.287 11.429 1.00 0.00 C ATOM 410 O VAL A 27 3.751 -4.149 11.081 1.00 0.00 O ATOM 411 CB VAL A 27 1.023 -3.193 9.763 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.152 -3.316 10.742 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.491 -2.600 8.445 1.00 0.00 C ATOM 0 H VAL A 27 3.683 -3.026 9.053 1.00 0.00 H new ATOM 0 HA VAL A 27 1.820 -1.522 10.825 1.00 0.00 H new ATOM 0 HB VAL A 27 1.439 -4.175 9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.969 -3.855 10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.170 -3.859 11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.492 -2.321 11.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.347 -3.199 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.159 -1.576 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.284 -2.605 7.697 1.00 0.00 H new ATOM 423 N HIS A 28 2.628 -3.078 12.701 1.00 0.00 N ATOM 424 CA HIS A 28 3.214 -3.766 13.835 1.00 0.00 C ATOM 425 C HIS A 28 2.053 -4.235 14.700 1.00 0.00 C ATOM 426 O HIS A 28 1.110 -3.473 14.952 1.00 0.00 O ATOM 427 CB HIS A 28 4.118 -2.802 14.612 1.00 0.00 C ATOM 428 CG HIS A 28 5.238 -2.226 13.784 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.327 -2.914 13.301 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.357 -0.929 13.361 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.097 -2.047 12.625 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.546 -0.818 12.626 1.00 0.00 N ATOM 0 H HIS A 28 1.927 -2.392 12.979 1.00 0.00 H new ATOM 0 HA HIS A 28 3.828 -4.611 13.523 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.512 -1.986 15.006 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.543 -3.326 15.468 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.657 -0.131 13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.031 -2.300 12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.918 0.022 12.183 1.00 0.00 H new ATOM 440 N SER A 29 2.102 -5.496 15.119 1.00 0.00 N ATOM 441 CA SER A 29 1.032 -6.119 15.866 1.00 0.00 C ATOM 442 C SER A 29 0.919 -5.445 17.232 1.00 0.00 C ATOM 443 O SER A 29 1.861 -5.448 18.028 1.00 0.00 O ATOM 444 CB SER A 29 1.270 -7.628 16.005 1.00 0.00 C ATOM 445 OG SER A 29 0.029 -8.283 16.184 1.00 0.00 O ATOM 0 H SER A 29 2.895 -6.113 14.944 1.00 0.00 H new ATOM 0 HA SER A 29 0.092 -5.991 15.330 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.772 -8.012 15.117 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.925 -7.828 16.853 1.00 0.00 H new ATOM 0 HG SER A 29 0.178 -9.248 16.271 1.00 0.00 H new ATOM 451 N ALA A 30 -0.246 -4.852 17.469 1.00 0.00 N ATOM 452 CA ALA A 30 -0.702 -4.341 18.748 1.00 0.00 C ATOM 453 C ALA A 30 -2.245 -4.406 18.817 1.00 0.00 C ATOM 454 O ALA A 30 -2.838 -3.500 19.405 1.00 0.00 O ATOM 455 CB ALA A 30 -0.152 -2.916 18.948 1.00 0.00 C ATOM 0 H ALA A 30 -0.933 -4.709 16.729 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.324 -4.955 19.566 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.491 -2.526 19.908 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.938 -2.941 18.931 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.513 -2.271 18.147 1.00 0.00 H new ATOM 461 N PRO A 31 -2.951 -5.379 18.187 1.00 0.00 N ATOM 462 CA PRO A 31 -4.403 -5.312 18.108 1.00 0.00 C ATOM 463 C PRO A 31 -5.043 -5.329 19.504 1.00 0.00 C ATOM 464 O PRO A 31 -4.441 -5.774 20.489 1.00 0.00 O ATOM 465 CB PRO A 31 -4.849 -6.466 17.207 1.00 0.00 C ATOM 466 CG PRO A 31 -3.716 -7.479 17.320 1.00 0.00 C ATOM 467 CD PRO A 31 -2.489 -6.598 17.524 1.00 0.00 C ATOM 0 HA PRO A 31 -4.739 -4.371 17.673 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.797 -6.889 17.539 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.990 -6.137 16.177 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.867 -8.162 18.156 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.630 -8.090 16.422 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.742 -7.109 18.131 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.018 -6.364 16.569 1.00 0.00 H new ATOM 475 N ARG A 32 -6.265 -4.792 19.593 1.00 0.00 N ATOM 476 CA ARG A 32 -6.991 -4.494 20.835 1.00 0.00 C ATOM 477 C ARG A 32 -6.185 -3.603 21.802 1.00 0.00 C ATOM 478 O ARG A 32 -6.609 -3.408 22.942 1.00 0.00 O ATOM 479 CB ARG A 32 -7.526 -5.821 21.428 1.00 0.00 C ATOM 480 CG ARG A 32 -8.380 -5.759 22.705 1.00 0.00 C ATOM 481 CD ARG A 32 -9.518 -4.731 22.650 1.00 0.00 C ATOM 482 NE ARG A 32 -10.201 -4.618 23.949 1.00 0.00 N ATOM 483 CZ ARG A 32 -9.777 -3.910 25.007 1.00 0.00 C ATOM 484 NH1 ARG A 32 -8.614 -3.261 24.978 1.00 0.00 N ATOM 485 NH2 ARG A 32 -10.528 -3.862 26.103 1.00 0.00 N ATOM 0 H ARG A 32 -6.801 -4.541 18.762 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.859 -3.871 20.622 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.117 -6.315 20.657 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.669 -6.463 21.632 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.805 -6.745 22.893 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.733 -5.524 23.550 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.119 -3.759 22.361 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.236 -5.021 21.883 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.079 -5.126 24.055 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.030 -3.297 24.142 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.307 -2.728 25.791 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.417 -4.361 26.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.215 -3.327 26.913 1.00 0.00 H new ATOM 499 N SER A 33 -5.053 -3.038 21.368 1.00 0.00 N ATOM 500 CA SER A 33 -4.092 -2.336 22.210 1.00 0.00 C ATOM 501 C SER A 33 -3.674 -3.192 23.420 1.00 0.00 C ATOM 502 O SER A 33 -3.413 -2.656 24.500 1.00 0.00 O ATOM 503 CB SER A 33 -4.637 -0.943 22.572 1.00 0.00 C ATOM 504 OG SER A 33 -5.089 -0.259 21.409 1.00 0.00 O ATOM 0 H SER A 33 -4.776 -3.061 20.387 1.00 0.00 H new ATOM 0 HA SER A 33 -3.167 -2.171 21.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.457 -1.042 23.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.858 -0.359 23.063 1.00 0.00 H new ATOM 0 HG SER A 33 -5.433 0.623 21.661 1.00 0.00 H new ATOM 510 N GLY A 34 -3.631 -4.524 23.260 1.00 0.00 N ATOM 511 CA GLY A 34 -3.375 -5.436 24.371 1.00 0.00 C ATOM 512 C GLY A 34 -2.982 -6.860 23.970 1.00 0.00 C ATOM 513 O GLY A 34 -2.676 -7.656 24.860 1.00 0.00 O ATOM 0 H GLY A 34 -3.772 -4.990 22.363 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.580 -5.017 24.988 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.269 -5.485 24.993 1.00 0.00 H new ATOM 517 N ALA A 35 -2.972 -7.208 22.676 1.00 0.00 N ATOM 518 CA ALA A 35 -2.496 -8.514 22.225 1.00 0.00 C ATOM 519 C ALA A 35 -1.024 -8.730 22.630 1.00 0.00 C ATOM 520 O ALA A 35 -0.242 -7.774 22.583 1.00 0.00 O ATOM 521 CB ALA A 35 -2.644 -8.611 20.706 1.00 0.00 C ATOM 0 H ALA A 35 -3.290 -6.597 21.924 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.095 -9.291 22.700 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.289 -9.584 20.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.693 -8.492 20.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.055 -7.826 20.232 1.00 0.00 H new ATOM 527 N PRO A 36 -0.613 -9.965 22.975 1.00 0.00 N ATOM 528 CA PRO A 36 0.767 -10.267 23.353 1.00 0.00 C ATOM 529 C PRO A 36 1.717 -10.334 22.145 1.00 0.00 C ATOM 530 O PRO A 36 2.935 -10.253 22.325 1.00 0.00 O ATOM 531 CB PRO A 36 0.691 -11.617 24.075 1.00 0.00 C ATOM 532 CG PRO A 36 -0.498 -12.309 23.410 1.00 0.00 C ATOM 533 CD PRO A 36 -1.450 -11.150 23.119 1.00 0.00 C ATOM 0 HA PRO A 36 1.180 -9.478 23.982 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.610 -12.191 23.952 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.535 -11.491 25.146 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.204 -12.829 22.498 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.953 -13.050 24.067 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.023 -11.335 22.210 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.169 -11.023 23.929 1.00 0.00 H new ATOM 541 N ALA A 37 1.184 -10.510 20.928 1.00 0.00 N ATOM 542 CA ALA A 37 1.966 -10.592 19.698 1.00 0.00 C ATOM 543 C ALA A 37 2.727 -9.285 19.440 1.00 0.00 C ATOM 544 O ALA A 37 2.267 -8.205 19.821 1.00 0.00 O ATOM 545 CB ALA A 37 1.032 -10.913 18.525 1.00 0.00 C ATOM 0 H ALA A 37 0.180 -10.600 20.774 1.00 0.00 H new ATOM 0 HA ALA A 37 2.704 -11.387 19.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.612 -10.975 17.604 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.535 -11.866 18.706 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.284 -10.126 18.430 1.00 0.00 H new ATOM 551 N ALA A 38 3.862 -9.388 18.739 1.00 0.00 N ATOM 552 CA ALA A 38 4.720 -8.264 18.361 1.00 0.00 C ATOM 553 C ALA A 38 5.361 -8.501 16.986 1.00 0.00 C ATOM 554 O ALA A 38 6.471 -8.040 16.713 1.00 0.00 O ATOM 555 CB ALA A 38 5.762 -8.027 19.465 1.00 0.00 C ATOM 0 H ALA A 38 4.218 -10.285 18.410 1.00 0.00 H new ATOM 0 HA ALA A 38 4.120 -7.359 18.265 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.403 -7.190 19.187 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.254 -7.799 20.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.369 -8.923 19.590 1.00 0.00 H new ATOM 561 N GLU A 39 4.672 -9.264 16.133 1.00 0.00 N ATOM 562 CA GLU A 39 5.058 -9.459 14.739 1.00 0.00 C ATOM 563 C GLU A 39 4.829 -8.160 13.942 1.00 0.00 C ATOM 564 O GLU A 39 4.228 -7.211 14.455 1.00 0.00 O ATOM 565 CB GLU A 39 4.256 -10.633 14.143 1.00 0.00 C ATOM 566 CG GLU A 39 4.517 -11.985 14.828 1.00 0.00 C ATOM 567 CD GLU A 39 5.985 -12.440 14.717 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.425 -12.827 13.611 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.708 -12.440 15.738 1.00 0.00 O ATOM 0 H GLU A 39 3.824 -9.766 16.396 1.00 0.00 H new ATOM 0 HA GLU A 39 6.119 -9.703 14.681 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.193 -10.403 14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.497 -10.722 13.084 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.243 -11.912 15.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.872 -12.743 14.383 1.00 0.00 H new ATOM 576 N SER A 40 5.248 -8.133 12.674 1.00 0.00 N ATOM 577 CA SER A 40 5.069 -6.997 11.771 1.00 0.00 C ATOM 578 C SER A 40 4.643 -7.490 10.380 1.00 0.00 C ATOM 579 O SER A 40 4.792 -8.669 10.047 1.00 0.00 O ATOM 580 CB SER A 40 6.359 -6.165 11.691 1.00 0.00 C ATOM 581 OG SER A 40 6.827 -5.767 12.973 1.00 0.00 O ATOM 0 H SER A 40 5.732 -8.919 12.239 1.00 0.00 H new ATOM 0 HA SER A 40 4.280 -6.355 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.133 -6.746 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.180 -5.279 11.081 1.00 0.00 H new ATOM 0 HG SER A 40 6.567 -4.837 13.142 1.00 0.00 H new ATOM 587 N LYS A 41 4.090 -6.579 9.579 1.00 0.00 N ATOM 588 CA LYS A 41 3.493 -6.796 8.259 1.00 0.00 C ATOM 589 C LYS A 41 3.732 -5.504 7.465 1.00 0.00 C ATOM 590 O LYS A 41 4.065 -4.476 8.053 1.00 0.00 O ATOM 591 CB LYS A 41 1.995 -7.107 8.477 1.00 0.00 C ATOM 592 CG LYS A 41 1.135 -7.440 7.245 1.00 0.00 C ATOM 593 CD LYS A 41 -0.337 -7.093 7.504 1.00 0.00 C ATOM 594 CE LYS A 41 -1.201 -7.377 6.269 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.583 -8.806 6.138 1.00 0.00 N ATOM 0 H LYS A 41 4.044 -5.598 9.855 1.00 0.00 H new ATOM 0 HA LYS A 41 3.923 -7.630 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.926 -7.947 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.545 -6.248 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.498 -6.885 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.228 -8.499 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.706 -7.673 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.423 -6.041 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.104 -6.769 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.658 -7.069 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.496 -8.878 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.855 -9.312 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.667 -9.231 7.083 1.00 0.00 H new ATOM 609 N GLU A 42 3.559 -5.513 6.149 1.00 0.00 N ATOM 610 CA GLU A 42 3.655 -4.330 5.300 1.00 0.00 C ATOM 611 C GLU A 42 2.495 -4.424 4.310 1.00 0.00 C ATOM 612 O GLU A 42 2.199 -5.527 3.846 1.00 0.00 O ATOM 613 CB GLU A 42 5.023 -4.299 4.590 1.00 0.00 C ATOM 614 CG GLU A 42 6.187 -4.110 5.580 1.00 0.00 C ATOM 615 CD GLU A 42 7.582 -4.185 4.942 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.880 -5.151 4.204 1.00 0.00 O ATOM 617 OE2 GLU A 42 8.413 -3.307 5.267 1.00 0.00 O ATOM 0 H GLU A 42 3.343 -6.363 5.629 1.00 0.00 H new ATOM 0 HA GLU A 42 3.587 -3.405 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.165 -5.228 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.034 -3.489 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.077 -3.143 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.115 -4.872 6.356 1.00 0.00 H new ATOM 624 N ILE A 43 1.831 -3.310 3.998 1.00 0.00 N ATOM 625 CA ILE A 43 0.612 -3.278 3.191 1.00 0.00 C ATOM 626 C ILE A 43 0.690 -2.174 2.137 1.00 0.00 C ATOM 627 O ILE A 43 1.428 -1.196 2.292 1.00 0.00 O ATOM 628 CB ILE A 43 -0.664 -3.161 4.069 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.732 -1.866 4.914 1.00 0.00 C ATOM 630 CG2 ILE A 43 -0.795 -4.409 4.954 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.035 -1.690 5.714 1.00 0.00 C ATOM 0 H ILE A 43 2.133 -2.386 4.306 1.00 0.00 H new ATOM 0 HA ILE A 43 0.534 -4.230 2.666 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.512 -3.098 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.109 -1.856 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.609 -1.009 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.691 -4.326 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.869 -5.296 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.081 -4.493 5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.994 -0.757 6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.882 -1.664 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.153 -2.524 6.405 1.00 0.00 H new ATOM 643 N VAL A 44 -0.095 -2.345 1.074 1.00 0.00 N ATOM 644 CA VAL A 44 -0.160 -1.467 -0.087 1.00 0.00 C ATOM 645 C VAL A 44 -1.613 -1.003 -0.175 1.00 0.00 C ATOM 646 O VAL A 44 -2.506 -1.839 -0.335 1.00 0.00 O ATOM 647 CB VAL A 44 0.260 -2.273 -1.338 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.137 -1.478 -2.644 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.697 -2.807 -1.256 1.00 0.00 C ATOM 0 H VAL A 44 -0.732 -3.138 0.998 1.00 0.00 H new ATOM 0 HA VAL A 44 0.506 -0.607 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.443 -3.106 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.448 -2.103 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.899 -1.170 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.775 -0.595 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.931 -3.363 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.390 -1.972 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.792 -3.465 -0.392 1.00 0.00 H new ATOM 659 N ARG A 45 -1.867 0.306 -0.071 1.00 0.00 N ATOM 660 CA ARG A 45 -3.212 0.883 -0.182 1.00 0.00 C ATOM 661 C ARG A 45 -3.125 2.123 -1.059 1.00 0.00 C ATOM 662 O ARG A 45 -2.130 2.841 -0.976 1.00 0.00 O ATOM 663 CB ARG A 45 -3.771 1.260 1.205 1.00 0.00 C ATOM 664 CG ARG A 45 -3.908 0.115 2.227 1.00 0.00 C ATOM 665 CD ARG A 45 -4.828 -1.029 1.784 1.00 0.00 C ATOM 666 NE ARG A 45 -4.800 -2.158 2.734 1.00 0.00 N ATOM 667 CZ ARG A 45 -5.565 -2.298 3.824 1.00 0.00 C ATOM 668 NH1 ARG A 45 -6.459 -1.368 4.157 1.00 0.00 N ATOM 669 NH2 ARG A 45 -5.426 -3.378 4.583 1.00 0.00 N ATOM 0 H ARG A 45 -1.139 1.001 0.094 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.886 0.148 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.126 2.026 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.753 1.712 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.918 -0.291 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.285 0.525 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.849 -0.658 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.524 -1.378 0.797 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.133 -2.905 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.568 -0.535 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.034 -1.489 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.741 -4.092 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.004 -3.494 5.415 1.00 0.00 H new ATOM 683 N GLY A 46 -4.139 2.399 -1.876 1.00 0.00 N ATOM 684 CA GLY A 46 -4.141 3.538 -2.783 1.00 0.00 C ATOM 685 C GLY A 46 -5.420 3.572 -3.591 1.00 0.00 C ATOM 686 O GLY A 46 -5.860 2.528 -4.076 1.00 0.00 O ATOM 0 H GLY A 46 -4.986 1.833 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.039 4.463 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.283 3.478 -3.452 1.00 0.00 H new ATOM 690 N TYR A 47 -6.029 4.752 -3.726 1.00 0.00 N ATOM 691 CA TYR A 47 -7.372 4.881 -4.287 1.00 0.00 C ATOM 692 C TYR A 47 -7.549 6.260 -4.912 1.00 0.00 C ATOM 693 O TYR A 47 -6.841 7.202 -4.550 1.00 0.00 O ATOM 694 CB TYR A 47 -8.435 4.712 -3.184 1.00 0.00 C ATOM 695 CG TYR A 47 -8.207 3.597 -2.177 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.360 3.834 -1.079 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.868 2.359 -2.296 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.210 2.867 -0.073 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.714 1.378 -1.299 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.907 1.642 -0.168 1.00 0.00 C ATOM 701 OH TYR A 47 -7.846 0.745 0.853 1.00 0.00 O ATOM 0 H TYR A 47 -5.607 5.639 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.496 4.106 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.510 5.652 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.399 4.544 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.821 4.767 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.494 2.162 -3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.564 3.059 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.212 0.424 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.382 -0.044 0.628 1.00 0.00 H new ATOM 711 N LYS A 48 -8.546 6.403 -5.793 1.00 0.00 N ATOM 712 CA LYS A 48 -8.812 7.667 -6.480 1.00 0.00 C ATOM 713 C LYS A 48 -9.127 8.813 -5.516 1.00 0.00 C ATOM 714 O LYS A 48 -8.765 9.954 -5.803 1.00 0.00 O ATOM 715 CB LYS A 48 -9.938 7.508 -7.514 1.00 0.00 C ATOM 716 CG LYS A 48 -9.620 6.467 -8.604 1.00 0.00 C ATOM 717 CD LYS A 48 -10.568 6.570 -9.810 1.00 0.00 C ATOM 718 CE LYS A 48 -12.053 6.365 -9.463 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.403 4.941 -9.252 1.00 0.00 N ATOM 0 H LYS A 48 -9.186 5.650 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.891 7.933 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.855 7.218 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.128 8.472 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.592 6.601 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.687 5.466 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.446 7.550 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.274 5.829 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.292 6.930 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.668 6.770 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.370 4.873 -8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.348 4.432 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.737 4.516 -8.576 1.00 0.00 H new ATOM 733 N TRP A 49 -9.788 8.541 -4.383 1.00 0.00 N ATOM 734 CA TRP A 49 -10.132 9.591 -3.428 1.00 0.00 C ATOM 735 C TRP A 49 -8.900 10.175 -2.723 1.00 0.00 C ATOM 736 O TRP A 49 -8.958 11.323 -2.280 1.00 0.00 O ATOM 737 CB TRP A 49 -11.210 9.118 -2.437 1.00 0.00 C ATOM 738 CG TRP A 49 -11.092 7.742 -1.842 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.882 6.692 -2.163 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.193 7.246 -0.799 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.548 5.596 -1.395 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.510 5.878 -0.535 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.140 7.807 -0.045 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.809 5.111 0.408 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.390 7.027 0.854 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.709 5.677 1.071 1.00 0.00 C ATOM 0 H TRP A 49 -10.092 7.606 -4.110 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.562 10.413 -4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.238 9.832 -1.614 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.173 9.177 -2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.661 6.709 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.012 4.690 -1.456 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.906 8.855 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.112 4.097 0.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.560 7.471 1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.112 5.078 1.743 1.00 0.00 H new ATOM 757 N ALA A 50 -7.785 9.440 -2.623 1.00 0.00 N ATOM 758 CA ALA A 50 -6.560 9.961 -2.040 1.00 0.00 C ATOM 759 C ALA A 50 -5.778 10.724 -3.107 1.00 0.00 C ATOM 760 O ALA A 50 -4.852 10.198 -3.723 1.00 0.00 O ATOM 761 CB ALA A 50 -5.737 8.848 -1.400 1.00 0.00 C ATOM 0 H ALA A 50 -7.715 8.474 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.806 10.656 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.827 9.268 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.321 8.370 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.475 8.108 -2.157 1.00 0.00 H new ATOM 767 N GLU A 51 -6.159 11.981 -3.330 1.00 0.00 N ATOM 768 CA GLU A 51 -5.409 12.895 -4.188 1.00 0.00 C ATOM 769 C GLU A 51 -4.022 13.213 -3.596 1.00 0.00 C ATOM 770 O GLU A 51 -3.125 13.627 -4.334 1.00 0.00 O ATOM 771 CB GLU A 51 -6.217 14.183 -4.411 1.00 0.00 C ATOM 772 CG GLU A 51 -7.502 13.934 -5.215 1.00 0.00 C ATOM 773 CD GLU A 51 -8.250 15.247 -5.505 1.00 0.00 C ATOM 774 OE1 GLU A 51 -7.963 15.905 -6.532 1.00 0.00 O ATOM 775 OE2 GLU A 51 -9.147 15.632 -4.720 1.00 0.00 O ATOM 0 H GLU A 51 -6.997 12.394 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.247 12.408 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.474 14.620 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.598 14.911 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.254 13.440 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.153 13.258 -4.661 1.00 0.00 H new ATOM 782 N TYR A 52 -3.820 12.993 -2.293 1.00 0.00 N ATOM 783 CA TYR A 52 -2.591 13.271 -1.555 1.00 0.00 C ATOM 784 C TYR A 52 -2.271 12.053 -0.687 1.00 0.00 C ATOM 785 O TYR A 52 -3.183 11.338 -0.255 1.00 0.00 O ATOM 786 CB TYR A 52 -2.703 14.568 -0.735 1.00 0.00 C ATOM 787 CG TYR A 52 -4.077 14.920 -0.198 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.003 15.536 -1.056 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.418 14.671 1.142 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.280 15.894 -0.588 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.689 15.033 1.625 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.628 15.643 0.761 1.00 0.00 C ATOM 793 OH TYR A 52 -7.856 15.992 1.241 1.00 0.00 O ATOM 0 H TYR A 52 -4.547 12.596 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.768 13.439 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.016 14.497 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.359 15.394 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.732 15.736 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.704 14.201 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.992 16.358 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.948 14.845 2.657 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.920 15.743 2.187 1.00 0.00 H new ATOM 803 N HIS A 53 -0.988 11.783 -0.444 1.00 0.00 N ATOM 804 CA HIS A 53 -0.553 10.561 0.220 1.00 0.00 C ATOM 805 C HIS A 53 -0.905 10.622 1.700 1.00 0.00 C ATOM 806 O HIS A 53 -1.231 9.591 2.295 1.00 0.00 O ATOM 807 CB HIS A 53 0.955 10.363 0.036 1.00 0.00 C ATOM 808 CG HIS A 53 1.357 10.150 -1.401 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.803 11.124 -2.300 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.352 8.945 -2.031 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.081 10.473 -3.440 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.808 9.166 -3.306 1.00 0.00 N ATOM 0 H HIS A 53 -0.224 12.407 -0.703 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.068 9.712 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.479 11.235 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.277 9.506 0.627 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.048 7.998 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.469 10.934 -4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.921 8.456 -4.030 1.00 0.00 H new ATOM 820 N ALA A 54 -0.914 11.826 2.281 1.00 0.00 N ATOM 821 CA ALA A 54 -1.395 12.034 3.638 1.00 0.00 C ATOM 822 C ALA A 54 -2.826 11.515 3.848 1.00 0.00 C ATOM 823 O ALA A 54 -3.141 11.123 4.971 1.00 0.00 O ATOM 824 CB ALA A 54 -1.301 13.517 4.012 1.00 0.00 C ATOM 0 H ALA A 54 -0.588 12.676 1.821 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.751 11.452 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.664 13.659 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.263 13.843 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.909 14.105 3.324 1.00 0.00 H new ATOM 830 N ASP A 55 -3.682 11.486 2.812 1.00 0.00 N ATOM 831 CA ASP A 55 -5.062 11.017 2.972 1.00 0.00 C ATOM 832 C ASP A 55 -5.060 9.534 3.324 1.00 0.00 C ATOM 833 O ASP A 55 -5.575 9.137 4.368 1.00 0.00 O ATOM 834 CB ASP A 55 -5.913 11.226 1.710 1.00 0.00 C ATOM 835 CG ASP A 55 -7.401 11.017 2.042 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.818 9.865 2.295 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.156 12.015 2.068 1.00 0.00 O ATOM 0 H ASP A 55 -3.442 11.780 1.865 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.507 11.609 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.757 12.231 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.603 10.528 0.932 1.00 0.00 H new ATOM 842 N ILE A 56 -4.422 8.718 2.477 1.00 0.00 N ATOM 843 CA ILE A 56 -4.348 7.280 2.680 1.00 0.00 C ATOM 844 C ILE A 56 -3.531 6.954 3.920 1.00 0.00 C ATOM 845 O ILE A 56 -3.891 5.994 4.597 1.00 0.00 O ATOM 846 CB ILE A 56 -3.826 6.487 1.454 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.930 7.291 0.480 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.004 5.762 0.790 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.711 6.628 -0.882 1.00 0.00 C ATOM 0 H ILE A 56 -3.946 9.042 1.635 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.377 6.951 2.823 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.121 5.739 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.377 8.273 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.960 7.453 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.646 5.201 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.459 5.076 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.745 6.493 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.072 7.262 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.233 5.658 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.672 6.491 -1.378 1.00 0.00 H new ATOM 861 N TYR A 57 -2.482 7.717 4.253 1.00 0.00 N ATOM 862 CA TYR A 57 -1.778 7.446 5.495 1.00 0.00 C ATOM 863 C TYR A 57 -2.737 7.614 6.672 1.00 0.00 C ATOM 864 O TYR A 57 -2.906 6.662 7.427 1.00 0.00 O ATOM 865 CB TYR A 57 -0.508 8.284 5.673 1.00 0.00 C ATOM 866 CG TYR A 57 0.185 7.991 6.998 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.499 6.661 7.356 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.466 9.033 7.903 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.080 6.369 8.602 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.052 8.751 9.150 1.00 0.00 C ATOM 871 CZ TYR A 57 1.358 7.418 9.509 1.00 0.00 C ATOM 872 OH TYR A 57 1.900 7.159 10.733 1.00 0.00 O ATOM 0 H TYR A 57 -2.119 8.494 3.700 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.431 6.413 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.179 8.081 4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.762 9.343 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.290 5.859 6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.230 10.053 7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.313 5.348 8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.269 9.556 9.836 1.00 0.00 H new ATOM 0 HH TYR A 57 2.023 8.000 11.221 1.00 0.00 H new ATOM 882 N ASP A 58 -3.418 8.759 6.795 1.00 0.00 N ATOM 883 CA ASP A 58 -4.331 9.012 7.910 1.00 0.00 C ATOM 884 C ASP A 58 -5.473 7.992 7.956 1.00 0.00 C ATOM 885 O ASP A 58 -5.806 7.476 9.023 1.00 0.00 O ATOM 886 CB ASP A 58 -4.909 10.427 7.815 1.00 0.00 C ATOM 887 CG ASP A 58 -5.926 10.675 8.941 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.508 10.911 10.097 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.148 10.668 8.672 1.00 0.00 O ATOM 0 H ASP A 58 -3.351 9.529 6.129 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.753 8.913 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.104 11.159 7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.390 10.564 6.847 1.00 0.00 H new ATOM 894 N LYS A 59 -6.050 7.670 6.794 1.00 0.00 N ATOM 895 CA LYS A 59 -7.129 6.696 6.655 1.00 0.00 C ATOM 896 C LYS A 59 -6.675 5.330 7.163 1.00 0.00 C ATOM 897 O LYS A 59 -7.321 4.742 8.032 1.00 0.00 O ATOM 898 CB LYS A 59 -7.515 6.634 5.162 1.00 0.00 C ATOM 899 CG LYS A 59 -8.697 5.708 4.834 1.00 0.00 C ATOM 900 CD LYS A 59 -10.080 6.381 4.899 1.00 0.00 C ATOM 901 CE LYS A 59 -10.466 7.243 3.677 1.00 0.00 C ATOM 902 NZ LYS A 59 -9.892 8.613 3.655 1.00 0.00 N ATOM 0 H LYS A 59 -5.772 8.090 5.907 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.994 6.991 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.757 7.641 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.646 6.306 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.554 5.299 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.685 4.867 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.835 5.605 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.116 7.009 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.152 6.722 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.552 7.322 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.622 9.291 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.555 8.863 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.096 8.645 2.986 1.00 0.00 H new ATOM 916 N VAL A 60 -5.574 4.817 6.620 1.00 0.00 N ATOM 917 CA VAL A 60 -5.165 3.445 6.850 1.00 0.00 C ATOM 918 C VAL A 60 -4.524 3.319 8.228 1.00 0.00 C ATOM 919 O VAL A 60 -4.885 2.389 8.945 1.00 0.00 O ATOM 920 CB VAL A 60 -4.264 2.972 5.693 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.759 1.538 5.914 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.029 3.013 4.356 1.00 0.00 C ATOM 0 H VAL A 60 -4.946 5.343 6.012 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.029 2.780 6.857 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.412 3.651 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.127 1.242 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.182 1.494 6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.609 0.860 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.375 2.675 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.899 2.359 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.355 4.033 4.154 1.00 0.00 H new ATOM 932 N SER A 61 -3.647 4.233 8.660 1.00 0.00 N ATOM 933 CA SER A 61 -3.102 4.158 10.010 1.00 0.00 C ATOM 934 C SER A 61 -4.222 4.337 11.035 1.00 0.00 C ATOM 935 O SER A 61 -4.154 3.737 12.106 1.00 0.00 O ATOM 936 CB SER A 61 -1.953 5.154 10.218 1.00 0.00 C ATOM 937 OG SER A 61 -2.406 6.492 10.296 1.00 0.00 O ATOM 0 H SER A 61 -3.308 5.017 8.103 1.00 0.00 H new ATOM 0 HA SER A 61 -2.669 3.168 10.155 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.418 4.901 11.133 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.242 5.061 9.397 1.00 0.00 H new ATOM 0 HG SER A 61 -2.651 6.807 9.401 1.00 0.00 H new ATOM 943 N GLY A 62 -5.264 5.112 10.715 1.00 0.00 N ATOM 944 CA GLY A 62 -6.463 5.223 11.523 1.00 0.00 C ATOM 945 C GLY A 62 -7.141 3.866 11.662 1.00 0.00 C ATOM 946 O GLY A 62 -7.399 3.438 12.782 1.00 0.00 O ATOM 0 H GLY A 62 -5.289 5.685 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.209 5.612 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.151 5.935 11.067 1.00 0.00 H new ATOM 950 N ASP A 63 -7.395 3.156 10.558 1.00 0.00 N ATOM 951 CA ASP A 63 -8.022 1.834 10.613 1.00 0.00 C ATOM 952 C ASP A 63 -7.165 0.835 11.387 1.00 0.00 C ATOM 953 O ASP A 63 -7.681 0.135 12.257 1.00 0.00 O ATOM 954 CB ASP A 63 -8.328 1.285 9.220 1.00 0.00 C ATOM 955 CG ASP A 63 -9.110 -0.035 9.348 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.358 0.016 9.422 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.486 -1.118 9.367 1.00 0.00 O ATOM 0 H ASP A 63 -7.175 3.476 9.615 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.966 1.966 11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.909 2.011 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.401 1.119 8.671 1.00 0.00 H new ATOM 962 N MET A 64 -5.853 0.813 11.138 1.00 0.00 N ATOM 963 CA MET A 64 -4.931 -0.067 11.849 1.00 0.00 C ATOM 964 C MET A 64 -4.985 0.219 13.346 1.00 0.00 C ATOM 965 O MET A 64 -5.143 -0.713 14.129 1.00 0.00 O ATOM 966 CB MET A 64 -3.501 0.093 11.315 1.00 0.00 C ATOM 967 CG MET A 64 -3.356 -0.333 9.845 1.00 0.00 C ATOM 968 SD MET A 64 -3.553 -2.101 9.537 1.00 0.00 S ATOM 969 CE MET A 64 -5.229 -2.046 8.866 1.00 0.00 C ATOM 0 H MET A 64 -5.404 1.405 10.439 1.00 0.00 H new ATOM 0 HA MET A 64 -5.236 -1.100 11.680 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.196 1.134 11.417 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.822 -0.500 11.928 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.093 0.208 9.252 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.373 -0.025 9.489 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.637 -3.056 8.822 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.858 -1.429 9.508 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.206 -1.620 7.863 1.00 0.00 H new ATOM 979 N GLN A 65 -4.933 1.486 13.757 1.00 0.00 N ATOM 980 CA GLN A 65 -4.993 1.874 15.156 1.00 0.00 C ATOM 981 C GLN A 65 -6.377 1.625 15.766 1.00 0.00 C ATOM 982 O GLN A 65 -6.460 1.348 16.962 1.00 0.00 O ATOM 983 CB GLN A 65 -4.583 3.345 15.281 1.00 0.00 C ATOM 984 CG GLN A 65 -3.063 3.538 15.124 1.00 0.00 C ATOM 985 CD GLN A 65 -2.699 5.020 15.062 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.200 5.605 16.021 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.954 5.658 13.932 1.00 0.00 N ATOM 0 H GLN A 65 -4.847 2.276 13.117 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.298 1.253 15.721 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.103 3.931 14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.898 3.728 16.252 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.546 3.068 15.960 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.722 3.039 14.217 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.368 5.157 13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.736 6.651 13.847 1.00 0.00 H new ATOM 996 N LYS A 66 -7.457 1.663 14.978 1.00 0.00 N ATOM 997 CA LYS A 66 -8.777 1.234 15.436 1.00 0.00 C ATOM 998 C LYS A 66 -8.788 -0.277 15.680 1.00 0.00 C ATOM 999 O LYS A 66 -9.393 -0.703 16.665 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.876 1.691 14.459 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.184 3.190 14.643 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.274 3.728 13.703 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.828 3.791 12.232 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.878 4.374 11.358 1.00 0.00 N ATOM 0 H LYS A 66 -7.439 1.990 14.012 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.997 1.714 16.389 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.558 1.504 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.781 1.106 14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.492 3.363 15.674 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.269 3.760 14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.157 3.094 13.781 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.567 4.726 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.919 4.387 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.582 2.788 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.538 4.398 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.738 3.791 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.095 5.341 11.673 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.102 -1.090 14.860 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.899 -2.506 15.189 1.00 0.00 C ATOM 1020 C GLN A 67 -6.964 -2.638 16.404 1.00 0.00 C ATOM 1021 O GLN A 67 -7.097 -3.578 17.185 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.346 -3.298 13.989 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.289 -3.288 12.771 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.761 -4.139 11.612 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.354 -5.283 11.791 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.762 -3.629 10.391 1.00 0.00 N ATOM 0 H GLN A 67 -7.685 -0.795 13.977 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.870 -2.934 15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.382 -2.879 13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.167 -4.329 14.294 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.269 -3.658 13.072 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.426 -2.262 12.431 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.099 -2.679 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.426 -4.186 9.605 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.029 -1.699 16.572 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.100 -1.546 17.690 1.00 0.00 C ATOM 1037 C GLY A 68 -3.646 -1.437 17.208 1.00 0.00 C ATOM 1038 O GLY A 68 -2.803 -0.881 17.911 1.00 0.00 O ATOM 0 H GLY A 68 -5.893 -0.969 15.873 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.362 -0.656 18.262 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.197 -2.397 18.364 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.365 -1.958 16.008 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.054 -2.017 15.377 1.00 0.00 C ATOM 1044 C CYS A 69 -1.398 -0.640 15.254 1.00 0.00 C ATOM 1045 O CYS A 69 -2.072 0.385 15.150 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.212 -2.656 13.993 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.611 -4.417 14.194 1.00 0.00 S ATOM 0 H CYS A 69 -4.092 -2.371 15.424 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.396 -2.616 16.007 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.001 -2.153 13.434 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.293 -2.542 13.419 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.749 -4.967 13.024 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.069 -0.634 15.200 1.00 0.00 N ATOM 1054 CA ASP A 70 0.759 0.567 15.104 1.00 0.00 C ATOM 1055 C ASP A 70 1.431 0.571 13.731 1.00 0.00 C ATOM 1056 O ASP A 70 1.763 -0.505 13.232 1.00 0.00 O ATOM 1057 CB ASP A 70 1.779 0.546 16.243 1.00 0.00 C ATOM 1058 CG ASP A 70 2.790 1.693 16.097 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.376 2.872 16.147 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.001 1.421 15.944 1.00 0.00 O ATOM 0 H ASP A 70 0.481 -1.493 15.223 1.00 0.00 H new ATOM 0 HA ASP A 70 0.168 1.478 15.200 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.263 0.631 17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.305 -0.409 16.248 1.00 0.00 H new ATOM 1065 N CYS A 71 1.637 1.741 13.114 1.00 0.00 N ATOM 1066 CA CYS A 71 2.044 1.831 11.712 1.00 0.00 C ATOM 1067 C CYS A 71 2.999 2.984 11.403 1.00 0.00 C ATOM 1068 O CYS A 71 3.074 3.956 12.156 1.00 0.00 O ATOM 1069 CB CYS A 71 0.777 2.049 10.876 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.208 0.541 10.841 1.00 0.00 S ATOM 0 H CYS A 71 1.526 2.646 13.572 1.00 0.00 H new ATOM 0 HA CYS A 71 2.574 0.908 11.478 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.191 2.866 11.296 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.047 2.340 9.861 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.722 0.331 12.017 1.00 0.00 H new ATOM 1076 N GLU A 72 3.646 2.917 10.233 1.00 0.00 N ATOM 1077 CA GLU A 72 4.457 3.977 9.661 1.00 0.00 C ATOM 1078 C GLU A 72 4.358 3.868 8.133 1.00 0.00 C ATOM 1079 O GLU A 72 4.532 2.774 7.593 1.00 0.00 O ATOM 1080 CB GLU A 72 5.902 3.759 10.145 1.00 0.00 C ATOM 1081 CG GLU A 72 6.923 4.706 9.510 1.00 0.00 C ATOM 1082 CD GLU A 72 6.750 6.165 9.973 1.00 0.00 C ATOM 1083 OE1 GLU A 72 5.766 6.824 9.573 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.607 6.664 10.739 1.00 0.00 O ATOM 0 H GLU A 72 3.612 2.086 9.642 1.00 0.00 H new ATOM 0 HA GLU A 72 4.124 4.970 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.933 3.881 11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.194 2.731 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.929 4.368 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.829 4.660 8.425 1.00 0.00 H new ATOM 1091 N CYS A 73 4.074 4.965 7.423 1.00 0.00 N ATOM 1092 CA CYS A 73 4.187 4.992 5.967 1.00 0.00 C ATOM 1093 C CYS A 73 5.683 5.061 5.640 1.00 0.00 C ATOM 1094 O CYS A 73 6.360 6.037 5.971 1.00 0.00 O ATOM 1095 CB CYS A 73 3.382 6.151 5.340 1.00 0.00 C ATOM 1096 SG CYS A 73 3.595 7.697 6.267 1.00 0.00 S ATOM 0 H CYS A 73 3.764 5.845 7.836 1.00 0.00 H new ATOM 0 HA CYS A 73 3.751 4.093 5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.701 6.299 4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.325 5.886 5.312 1.00 0.00 H new ATOM 0 HG CYS A 73 4.020 8.628 5.466 1.00 0.00 H new ATOM 1102 N LEU A 74 6.219 4.014 5.008 1.00 0.00 N ATOM 1103 CA LEU A 74 7.610 3.993 4.568 1.00 0.00 C ATOM 1104 C LEU A 74 7.823 4.991 3.423 1.00 0.00 C ATOM 1105 O LEU A 74 8.937 5.475 3.226 1.00 0.00 O ATOM 1106 CB LEU A 74 8.019 2.579 4.122 1.00 0.00 C ATOM 1107 CG LEU A 74 7.888 1.478 5.193 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.534 0.193 4.668 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.535 1.845 6.536 1.00 0.00 C ATOM 0 H LEU A 74 5.701 3.163 4.789 1.00 0.00 H new ATOM 0 HA LEU A 74 8.238 4.284 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.411 2.299 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.055 2.610 3.783 1.00 0.00 H new ATOM 0 HG LEU A 74 6.822 1.347 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.446 -0.592 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.029 -0.121 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.587 0.376 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.403 1.023 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.599 2.030 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.063 2.743 6.934 1.00 0.00 H new ATOM 1121 N GLY A 75 6.759 5.300 2.679 1.00 0.00 N ATOM 1122 CA GLY A 75 6.725 6.277 1.608 1.00 0.00 C ATOM 1123 C GLY A 75 5.444 6.071 0.811 1.00 0.00 C ATOM 1124 O GLY A 75 4.538 5.350 1.249 1.00 0.00 O ATOM 0 H GLY A 75 5.856 4.848 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.760 7.288 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.596 6.163 0.963 1.00 0.00 H new ATOM 1128 N GLY A 76 5.380 6.656 -0.380 1.00 0.00 N ATOM 1129 CA GLY A 76 4.297 6.405 -1.314 1.00 0.00 C ATOM 1130 C GLY A 76 4.730 6.650 -2.746 1.00 0.00 C ATOM 1131 O GLY A 76 5.902 6.930 -3.010 1.00 0.00 O ATOM 0 H GLY A 76 6.078 7.316 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.955 5.376 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.451 7.049 -1.073 1.00 0.00 H new ATOM 1135 N GLY A 77 3.767 6.532 -3.654 1.00 0.00 N ATOM 1136 CA GLY A 77 3.935 6.647 -5.091 1.00 0.00 C ATOM 1137 C GLY A 77 2.557 6.657 -5.739 1.00 0.00 C ATOM 1138 O GLY A 77 1.573 7.058 -5.115 1.00 0.00 O ATOM 0 H GLY A 77 2.800 6.344 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.476 7.561 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.526 5.814 -5.471 1.00 0.00 H new ATOM 1142 N ARG A 78 2.451 6.231 -6.988 1.00 0.00 N ATOM 1143 CA ARG A 78 1.241 6.284 -7.793 1.00 0.00 C ATOM 1144 C ARG A 78 1.234 5.013 -8.634 1.00 0.00 C ATOM 1145 O ARG A 78 2.303 4.547 -9.034 1.00 0.00 O ATOM 1146 CB ARG A 78 1.314 7.593 -8.602 1.00 0.00 C ATOM 1147 CG ARG A 78 0.061 7.927 -9.418 1.00 0.00 C ATOM 1148 CD ARG A 78 0.199 9.312 -10.064 1.00 0.00 C ATOM 1149 NE ARG A 78 -1.046 9.721 -10.738 1.00 0.00 N ATOM 1150 CZ ARG A 78 -1.192 10.741 -11.592 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -0.174 11.547 -11.883 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.384 10.935 -12.143 1.00 0.00 N ATOM 0 H ARG A 78 3.239 5.822 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 78 0.306 6.306 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.510 8.416 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.165 7.535 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.091 7.172 -10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.818 7.905 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.459 10.046 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.016 9.298 -10.785 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.880 9.171 -10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.738 11.393 -11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.305 12.319 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.160 10.314 -11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.524 11.705 -12.797 1.00 0.00 H new ATOM 1166 N ILE A 79 0.060 4.424 -8.853 1.00 0.00 N ATOM 1167 CA ILE A 79 -0.080 3.111 -9.480 1.00 0.00 C ATOM 1168 C ILE A 79 -0.646 3.320 -10.886 1.00 0.00 C ATOM 1169 O ILE A 79 -1.379 4.283 -11.132 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.925 2.171 -8.575 1.00 0.00 C ATOM 1171 CG1 ILE A 79 -0.090 1.780 -7.332 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.393 0.891 -9.298 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.830 0.924 -6.292 1.00 0.00 C ATOM 0 H ILE A 79 -0.831 4.850 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 79 0.880 2.606 -9.588 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.822 2.721 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.794 1.236 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.260 2.691 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.977 0.278 -8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.008 1.162 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.524 0.327 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.161 0.703 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.699 1.469 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.156 -0.008 -6.753 1.00 0.00 H new ATOM 1185 N SER A 80 -0.299 2.395 -11.784 1.00 0.00 N ATOM 1186 CA SER A 80 -0.528 2.452 -13.223 1.00 0.00 C ATOM 1187 C SER A 80 0.215 3.645 -13.850 1.00 0.00 C ATOM 1188 O SER A 80 1.008 4.314 -13.185 1.00 0.00 O ATOM 1189 CB SER A 80 -2.037 2.391 -13.524 1.00 0.00 C ATOM 1190 OG SER A 80 -2.610 1.246 -12.910 1.00 0.00 O ATOM 0 H SER A 80 0.177 1.537 -11.506 1.00 0.00 H new ATOM 0 HA SER A 80 -0.099 1.574 -13.707 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.526 3.293 -13.157 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.200 2.356 -14.601 1.00 0.00 H new ATOM 0 HG SER A 80 -3.570 1.216 -13.105 1.00 0.00 H new ATOM 1196 N HIS A 81 0.017 3.873 -15.148 1.00 0.00 N ATOM 1197 CA HIS A 81 0.591 4.984 -15.899 1.00 0.00 C ATOM 1198 C HIS A 81 -0.324 5.293 -17.088 1.00 0.00 C ATOM 1199 O HIS A 81 -1.244 4.523 -17.377 1.00 0.00 O ATOM 1200 CB HIS A 81 2.043 4.673 -16.328 1.00 0.00 C ATOM 1201 CG HIS A 81 2.330 3.325 -16.961 1.00 0.00 C ATOM 1202 ND1 HIS A 81 3.556 2.693 -16.944 1.00 0.00 N ATOM 1203 CD2 HIS A 81 1.479 2.511 -17.668 1.00 0.00 C ATOM 1204 CE1 HIS A 81 3.442 1.531 -17.608 1.00 0.00 C ATOM 1205 NE2 HIS A 81 2.190 1.374 -18.071 1.00 0.00 N ATOM 0 H HIS A 81 -0.568 3.267 -15.723 1.00 0.00 H new ATOM 0 HA HIS A 81 0.651 5.872 -15.270 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.355 5.445 -17.032 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.678 4.769 -15.448 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.439 2.713 -17.877 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.244 0.822 -17.750 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.830 0.585 -18.608 1.00 0.00 H new ATOM 1213 N GLN A 82 -0.084 6.415 -17.773 1.00 0.00 N ATOM 1214 CA GLN A 82 -0.897 6.851 -18.908 1.00 0.00 C ATOM 1215 C GLN A 82 -0.769 5.898 -20.111 1.00 0.00 C ATOM 1216 O GLN A 82 -1.684 5.843 -20.936 1.00 0.00 O ATOM 1217 CB GLN A 82 -0.496 8.296 -19.268 1.00 0.00 C ATOM 1218 CG GLN A 82 -1.296 8.950 -20.409 1.00 0.00 C ATOM 1219 CD GLN A 82 -2.800 9.022 -20.134 1.00 0.00 C ATOM 1220 OE1 GLN A 82 -3.307 10.001 -19.590 1.00 0.00 O ATOM 1221 NE2 GLN A 82 -3.547 7.993 -20.500 1.00 0.00 N ATOM 0 H GLN A 82 0.684 7.049 -17.553 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.950 6.827 -18.628 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.600 8.914 -18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.560 8.303 -19.540 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.916 9.958 -20.578 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.129 8.389 -21.328 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.117 7.185 -20.951 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.553 8.007 -20.331 1.00 0.00 H new ATOM 1230 N SER A 83 0.346 5.170 -20.229 1.00 0.00 N ATOM 1231 CA SER A 83 0.620 4.256 -21.333 1.00 0.00 C ATOM 1232 C SER A 83 -0.469 3.177 -21.456 1.00 0.00 C ATOM 1233 O SER A 83 -1.059 2.755 -20.458 1.00 0.00 O ATOM 1234 CB SER A 83 2.009 3.632 -21.131 1.00 0.00 C ATOM 1235 OG SER A 83 2.948 4.610 -20.701 1.00 0.00 O ATOM 0 H SER A 83 1.098 5.204 -19.541 1.00 0.00 H new ATOM 0 HA SER A 83 0.610 4.814 -22.269 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.949 2.831 -20.394 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.349 3.181 -22.064 1.00 0.00 H new ATOM 0 HG SER A 83 3.825 4.190 -20.577 1.00 0.00 H new ATOM 1241 N GLN A 84 -0.721 2.718 -22.687 1.00 0.00 N ATOM 1242 CA GLN A 84 -1.803 1.781 -22.998 1.00 0.00 C ATOM 1243 C GLN A 84 -1.480 0.335 -22.582 1.00 0.00 C ATOM 1244 O GLN A 84 -2.362 -0.524 -22.642 1.00 0.00 O ATOM 1245 CB GLN A 84 -2.128 1.847 -24.502 1.00 0.00 C ATOM 1246 CG GLN A 84 -2.654 3.225 -24.936 1.00 0.00 C ATOM 1247 CD GLN A 84 -3.036 3.233 -26.418 1.00 0.00 C ATOM 1248 OE1 GLN A 84 -2.193 3.412 -27.295 1.00 0.00 O ATOM 1249 NE2 GLN A 84 -4.305 3.034 -26.739 1.00 0.00 N ATOM 0 H GLN A 84 -0.173 2.990 -23.503 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.673 2.084 -22.415 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.231 1.608 -25.074 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.871 1.087 -24.743 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.522 3.492 -24.333 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.892 3.982 -24.751 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.999 2.886 -26.006 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.588 3.029 -27.719 1.00 0.00 H new ATOM 1258 N ASP A 85 -0.235 0.045 -22.185 1.00 0.00 N ATOM 1259 CA ASP A 85 0.196 -1.277 -21.721 1.00 0.00 C ATOM 1260 C ASP A 85 -0.676 -1.728 -20.540 1.00 0.00 C ATOM 1261 O ASP A 85 -0.843 -0.989 -19.566 1.00 0.00 O ATOM 1262 CB ASP A 85 1.683 -1.227 -21.335 1.00 0.00 C ATOM 1263 CG ASP A 85 2.278 -2.590 -20.928 1.00 0.00 C ATOM 1264 OD1 ASP A 85 1.548 -3.604 -20.859 1.00 0.00 O ATOM 1265 OD2 ASP A 85 3.507 -2.646 -20.698 1.00 0.00 O ATOM 0 H ASP A 85 0.515 0.737 -22.178 1.00 0.00 H new ATOM 0 HA ASP A 85 0.076 -2.006 -22.522 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.252 -0.832 -22.177 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.809 -0.527 -20.509 1.00 0.00 H new ATOM 1270 N LYS A 86 -1.258 -2.930 -20.633 1.00 0.00 N ATOM 1271 CA LYS A 86 -2.100 -3.501 -19.583 1.00 0.00 C ATOM 1272 C LYS A 86 -1.292 -3.839 -18.323 1.00 0.00 C ATOM 1273 O LYS A 86 -1.883 -3.914 -17.244 1.00 0.00 O ATOM 1274 CB LYS A 86 -2.833 -4.737 -20.143 1.00 0.00 C ATOM 1275 CG LYS A 86 -3.870 -5.385 -19.206 1.00 0.00 C ATOM 1276 CD LYS A 86 -4.978 -4.420 -18.754 1.00 0.00 C ATOM 1277 CE LYS A 86 -6.010 -5.165 -17.897 1.00 0.00 C ATOM 1278 NZ LYS A 86 -7.104 -4.277 -17.430 1.00 0.00 N ATOM 0 H LYS A 86 -1.155 -3.536 -21.447 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.837 -2.759 -19.277 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.336 -4.450 -21.067 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.089 -5.489 -20.405 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.325 -6.235 -19.714 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.359 -5.776 -18.326 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.545 -3.599 -18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.466 -3.981 -19.624 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.434 -5.986 -18.475 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.511 -5.607 -17.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.775 -4.826 -16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.705 -3.507 -16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.599 -3.875 -18.251 1.00 0.00 H new ATOM 1292 N LYS A 87 0.028 -4.053 -18.427 1.00 0.00 N ATOM 1293 CA LYS A 87 0.875 -4.327 -17.266 1.00 0.00 C ATOM 1294 C LYS A 87 0.706 -3.184 -16.265 1.00 0.00 C ATOM 1295 O LYS A 87 0.775 -2.011 -16.644 1.00 0.00 O ATOM 1296 CB LYS A 87 2.336 -4.509 -17.711 1.00 0.00 C ATOM 1297 CG LYS A 87 3.204 -5.163 -16.630 1.00 0.00 C ATOM 1298 CD LYS A 87 4.643 -5.431 -17.098 1.00 0.00 C ATOM 1299 CE LYS A 87 4.700 -6.325 -18.348 1.00 0.00 C ATOM 1300 NZ LYS A 87 6.039 -6.925 -18.552 1.00 0.00 N ATOM 0 H LYS A 87 0.532 -4.040 -19.314 1.00 0.00 H new ATOM 0 HA LYS A 87 0.579 -5.256 -16.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.364 -5.120 -18.613 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.757 -3.538 -17.971 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.227 -4.519 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.746 -6.103 -16.324 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.135 -4.482 -17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.202 -5.905 -16.291 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.959 -7.119 -18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.431 -5.736 -19.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.150 -7.196 -19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.772 -6.233 -18.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.136 -7.769 -17.952 1.00 0.00 H new ATOM 1314 N ILE A 88 0.439 -3.525 -15.006 1.00 0.00 N ATOM 1315 CA ILE A 88 0.275 -2.552 -13.934 1.00 0.00 C ATOM 1316 C ILE A 88 1.670 -1.938 -13.693 1.00 0.00 C ATOM 1317 O ILE A 88 2.693 -2.522 -14.064 1.00 0.00 O ATOM 1318 CB ILE A 88 -0.367 -3.244 -12.699 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -1.663 -4.017 -13.071 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -0.684 -2.231 -11.577 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -2.255 -4.869 -11.937 1.00 0.00 C ATOM 0 H ILE A 88 0.330 -4.492 -14.701 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.410 -1.740 -14.178 1.00 0.00 H new ATOM 0 HB ILE A 88 0.373 -3.957 -12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.416 -3.300 -13.398 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.451 -4.666 -13.921 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.131 -2.753 -10.731 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.237 -1.743 -11.256 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.381 -1.481 -11.950 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.156 -5.370 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.525 -5.615 -11.623 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.505 -4.227 -11.092 1.00 0.00 H new ATOM 1333 N HIS A 89 1.746 -0.763 -13.073 1.00 0.00 N ATOM 1334 CA HIS A 89 3.013 -0.088 -12.826 1.00 0.00 C ATOM 1335 C HIS A 89 2.961 0.626 -11.480 1.00 0.00 C ATOM 1336 O HIS A 89 1.873 0.816 -10.933 1.00 0.00 O ATOM 1337 CB HIS A 89 3.301 0.883 -13.979 1.00 0.00 C ATOM 1338 CG HIS A 89 4.758 1.249 -14.101 1.00 0.00 C ATOM 1339 ND1 HIS A 89 5.772 0.412 -14.512 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.313 2.480 -13.876 1.00 0.00 C ATOM 1341 CE1 HIS A 89 6.908 1.127 -14.548 1.00 0.00 C ATOM 1342 NE2 HIS A 89 6.681 2.397 -14.166 1.00 0.00 N ATOM 0 H HIS A 89 0.931 -0.255 -12.729 1.00 0.00 H new ATOM 0 HA HIS A 89 3.826 -0.812 -12.783 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.967 0.434 -14.915 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.716 1.791 -13.834 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.788 3.360 -13.535 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.871 0.737 -14.843 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.367 3.149 -14.101 1.00 0.00 H new ATOM 1350 N VAL A 90 4.112 1.056 -10.968 1.00 0.00 N ATOM 1351 CA VAL A 90 4.229 1.867 -9.766 1.00 0.00 C ATOM 1352 C VAL A 90 5.349 2.879 -10.035 1.00 0.00 C ATOM 1353 O VAL A 90 6.400 2.513 -10.562 1.00 0.00 O ATOM 1354 CB VAL A 90 4.523 0.990 -8.524 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.185 1.774 -7.250 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.748 -0.339 -8.460 1.00 0.00 C ATOM 0 H VAL A 90 5.014 0.841 -11.393 1.00 0.00 H new ATOM 0 HA VAL A 90 3.295 2.383 -9.544 1.00 0.00 H new ATOM 0 HB VAL A 90 5.581 0.742 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.392 1.156 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.792 2.678 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.130 2.046 -7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.024 -0.878 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.677 -0.136 -8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.993 -0.945 -9.332 1.00 0.00 H new ATOM 1366 N TYR A 91 5.135 4.153 -9.721 1.00 0.00 N ATOM 1367 CA TYR A 91 6.099 5.228 -9.946 1.00 0.00 C ATOM 1368 C TYR A 91 5.782 6.381 -8.989 1.00 0.00 C ATOM 1369 O TYR A 91 4.948 6.222 -8.098 1.00 0.00 O ATOM 1370 CB TYR A 91 6.089 5.665 -11.428 1.00 0.00 C ATOM 1371 CG TYR A 91 4.934 6.547 -11.884 1.00 0.00 C ATOM 1372 CD1 TYR A 91 3.596 6.129 -11.742 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.206 7.795 -12.479 1.00 0.00 C ATOM 1374 CE1 TYR A 91 2.543 6.958 -12.162 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.159 8.622 -12.922 1.00 0.00 C ATOM 1376 CZ TYR A 91 2.817 8.203 -12.769 1.00 0.00 C ATOM 1377 OH TYR A 91 1.789 8.982 -13.208 1.00 0.00 O ATOM 0 H TYR A 91 4.267 4.475 -9.293 1.00 0.00 H new ATOM 0 HA TYR A 91 7.111 4.880 -9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.020 6.195 -11.631 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.093 4.767 -12.045 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.379 5.165 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.229 8.120 -12.596 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.520 6.642 -12.020 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.379 9.576 -13.378 1.00 0.00 H new ATOM 0 HH TYR A 91 2.147 9.806 -13.600 1.00 0.00 H new ATOM 1387 N GLY A 92 6.410 7.543 -9.160 1.00 0.00 N ATOM 1388 CA GLY A 92 6.136 8.730 -8.366 1.00 0.00 C ATOM 1389 C GLY A 92 6.691 8.615 -6.949 1.00 0.00 C ATOM 1390 O GLY A 92 7.395 7.660 -6.607 1.00 0.00 O ATOM 0 H GLY A 92 7.133 7.684 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.571 9.601 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.059 8.895 -8.321 1.00 0.00 H new ATOM 1394 N TYR A 93 6.397 9.627 -6.131 1.00 0.00 N ATOM 1395 CA TYR A 93 6.825 9.717 -4.744 1.00 0.00 C ATOM 1396 C TYR A 93 5.981 10.741 -3.988 1.00 0.00 C ATOM 1397 O TYR A 93 5.509 11.719 -4.576 1.00 0.00 O ATOM 1398 CB TYR A 93 8.315 10.090 -4.659 1.00 0.00 C ATOM 1399 CG TYR A 93 8.815 11.209 -5.560 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.746 12.552 -5.144 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.420 10.893 -6.793 1.00 0.00 C ATOM 1402 CE1 TYR A 93 9.297 13.571 -5.940 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.979 11.905 -7.593 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.934 13.251 -7.161 1.00 0.00 C ATOM 1405 OH TYR A 93 10.480 14.243 -7.919 1.00 0.00 O ATOM 0 H TYR A 93 5.838 10.427 -6.429 1.00 0.00 H new ATOM 0 HA TYR A 93 6.685 8.740 -4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.533 10.367 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.898 9.196 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.267 12.801 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.454 9.866 -7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.234 14.600 -5.618 1.00 0.00 H new ATOM 0 HE2 TYR A 93 10.442 11.655 -8.536 1.00 0.00 H new ATOM 0 HH TYR A 93 9.914 15.041 -7.870 1.00 0.00 H new ATOM 1415 N SER A 94 5.794 10.511 -2.687 1.00 0.00 N ATOM 1416 CA SER A 94 5.219 11.499 -1.780 1.00 0.00 C ATOM 1417 C SER A 94 6.262 12.606 -1.568 1.00 0.00 C ATOM 1418 O SER A 94 7.447 12.401 -1.854 1.00 0.00 O ATOM 1419 CB SER A 94 4.833 10.784 -0.475 1.00 0.00 C ATOM 1420 OG SER A 94 4.646 11.658 0.613 1.00 0.00 O ATOM 0 H SER A 94 6.039 9.631 -2.234 1.00 0.00 H new ATOM 0 HA SER A 94 4.317 11.961 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.915 10.219 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.611 10.063 -0.222 1.00 0.00 H new ATOM 0 HG SER A 94 4.108 12.425 0.327 1.00 0.00 H new ATOM 1426 N MET A 95 5.861 13.750 -1.004 1.00 0.00 N ATOM 1427 CA MET A 95 6.797 14.782 -0.569 1.00 0.00 C ATOM 1428 C MET A 95 6.817 14.898 0.955 1.00 0.00 C ATOM 1429 O MET A 95 7.874 15.210 1.507 1.00 0.00 O ATOM 1430 CB MET A 95 6.510 16.124 -1.254 1.00 0.00 C ATOM 1431 CG MET A 95 5.148 16.716 -0.877 1.00 0.00 C ATOM 1432 SD MET A 95 4.785 18.331 -1.632 1.00 0.00 S ATOM 1433 CE MET A 95 5.945 19.400 -0.733 1.00 0.00 C ATOM 0 H MET A 95 4.882 13.982 -0.838 1.00 0.00 H new ATOM 0 HA MET A 95 7.798 14.483 -0.879 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.293 16.834 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.554 15.989 -2.335 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.368 16.011 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.099 16.818 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.745 20.443 -0.980 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.820 19.251 0.340 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.967 19.149 -1.018 1.00 0.00 H new ATOM 1443 N ALA A 96 5.712 14.607 1.655 1.00 0.00 N ATOM 1444 CA ALA A 96 5.734 14.541 3.114 1.00 0.00 C ATOM 1445 C ALA A 96 6.446 13.273 3.607 1.00 0.00 C ATOM 1446 O ALA A 96 6.988 13.282 4.715 1.00 0.00 O ATOM 1447 CB ALA A 96 4.311 14.612 3.669 1.00 0.00 C ATOM 0 H ALA A 96 4.802 14.416 1.235 1.00 0.00 H new ATOM 0 HA ALA A 96 6.297 15.399 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.342 14.562 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.847 15.549 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.728 13.775 3.284 1.00 0.00 H new ATOM 1453 N TYR A 97 6.473 12.207 2.798 1.00 0.00 N ATOM 1454 CA TYR A 97 6.923 10.877 3.210 1.00 0.00 C ATOM 1455 C TYR A 97 7.904 10.238 2.213 1.00 0.00 C ATOM 1456 O TYR A 97 8.529 9.230 2.546 1.00 0.00 O ATOM 1457 CB TYR A 97 5.694 9.978 3.425 1.00 0.00 C ATOM 1458 CG TYR A 97 4.589 10.600 4.266 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.748 10.728 5.659 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.413 11.080 3.654 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.726 11.293 6.442 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.380 11.626 4.431 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.531 11.739 5.833 1.00 0.00 C ATOM 1464 OH TYR A 97 1.551 12.294 6.602 1.00 0.00 O ATOM 0 H TYR A 97 6.177 12.248 1.823 1.00 0.00 H new ATOM 0 HA TYR A 97 7.476 10.985 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.283 9.709 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.017 9.052 3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.660 10.390 6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.307 11.027 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.854 11.386 7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.468 11.960 3.958 1.00 0.00 H new ATOM 0 HH TYR A 97 0.795 12.550 6.034 1.00 0.00 H new ATOM 1474 N GLY A 98 8.094 10.829 1.028 1.00 0.00 N ATOM 1475 CA GLY A 98 9.120 10.411 0.075 1.00 0.00 C ATOM 1476 C GLY A 98 8.740 9.162 -0.733 1.00 0.00 C ATOM 1477 O GLY A 98 7.617 8.655 -0.617 1.00 0.00 O ATOM 0 H GLY A 98 7.534 11.617 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.319 11.232 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.047 10.216 0.615 1.00 0.00 H new ATOM 1481 N PRO A 99 9.654 8.665 -1.586 1.00 0.00 N ATOM 1482 CA PRO A 99 9.454 7.432 -2.335 1.00 0.00 C ATOM 1483 C PRO A 99 9.433 6.229 -1.390 1.00 0.00 C ATOM 1484 O PRO A 99 10.262 6.121 -0.481 1.00 0.00 O ATOM 1485 CB PRO A 99 10.638 7.330 -3.306 1.00 0.00 C ATOM 1486 CG PRO A 99 11.734 8.165 -2.645 1.00 0.00 C ATOM 1487 CD PRO A 99 10.963 9.236 -1.874 1.00 0.00 C ATOM 0 HA PRO A 99 8.502 7.439 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.953 6.296 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.380 7.718 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.351 7.560 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.401 8.607 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.482 9.503 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.869 10.148 -2.463 1.00 0.00 H new ATOM 1495 N ALA A 100 8.499 5.309 -1.623 1.00 0.00 N ATOM 1496 CA ALA A 100 8.492 4.009 -0.967 1.00 0.00 C ATOM 1497 C ALA A 100 9.525 3.089 -1.632 1.00 0.00 C ATOM 1498 O ALA A 100 10.030 3.380 -2.721 1.00 0.00 O ATOM 1499 CB ALA A 100 7.108 3.389 -1.140 1.00 0.00 C ATOM 0 H ALA A 100 7.726 5.447 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 100 8.734 4.129 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.083 2.413 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.359 4.039 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.892 3.272 -2.202 1.00 0.00 H new ATOM 1505 N GLN A 101 9.803 1.943 -1.001 1.00 0.00 N ATOM 1506 CA GLN A 101 10.572 0.871 -1.620 1.00 0.00 C ATOM 1507 C GLN A 101 9.618 0.150 -2.571 1.00 0.00 C ATOM 1508 O GLN A 101 9.000 -0.848 -2.198 1.00 0.00 O ATOM 1509 CB GLN A 101 11.148 -0.100 -0.577 1.00 0.00 C ATOM 1510 CG GLN A 101 12.307 0.507 0.214 1.00 0.00 C ATOM 1511 CD GLN A 101 12.957 -0.530 1.129 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.913 -1.205 0.755 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.454 -0.693 2.342 1.00 0.00 N ATOM 0 H GLN A 101 9.500 1.738 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 101 11.432 1.278 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.358 -0.397 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.490 -1.005 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.052 0.905 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.944 1.345 0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.660 -0.129 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.860 -1.383 2.974 1.00 0.00 H new ATOM 1522 N HIS A 102 9.475 0.664 -3.794 1.00 0.00 N ATOM 1523 CA HIS A 102 8.540 0.146 -4.791 1.00 0.00 C ATOM 1524 C HIS A 102 8.749 -1.329 -5.147 1.00 0.00 C ATOM 1525 O HIS A 102 7.847 -1.942 -5.711 1.00 0.00 O ATOM 1526 CB HIS A 102 8.547 1.059 -6.023 1.00 0.00 C ATOM 1527 CG HIS A 102 7.928 2.393 -5.694 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.526 3.634 -5.695 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.682 2.551 -5.160 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.651 4.510 -5.166 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.508 3.894 -4.819 1.00 0.00 N ATOM 0 H HIS A 102 10.015 1.464 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 102 7.547 0.163 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.570 1.202 -6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.996 0.586 -6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.463 3.850 -6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.952 1.767 -5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.842 5.565 -5.038 1.00 0.00 H new ATOM 1539 N ALA A 103 9.889 -1.908 -4.760 1.00 0.00 N ATOM 1540 CA ALA A 103 10.164 -3.334 -4.848 1.00 0.00 C ATOM 1541 C ALA A 103 9.166 -4.139 -4.005 1.00 0.00 C ATOM 1542 O ALA A 103 8.692 -5.191 -4.432 1.00 0.00 O ATOM 1543 CB ALA A 103 11.595 -3.579 -4.346 1.00 0.00 C ATOM 0 H ALA A 103 10.665 -1.377 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 103 10.062 -3.661 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.823 -4.643 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.298 -3.023 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.680 -3.245 -3.312 1.00 0.00 H new ATOM 1549 N ILE A 104 8.845 -3.651 -2.802 1.00 0.00 N ATOM 1550 CA ILE A 104 7.876 -4.283 -1.918 1.00 0.00 C ATOM 1551 C ILE A 104 6.509 -4.197 -2.607 1.00 0.00 C ATOM 1552 O ILE A 104 5.797 -5.200 -2.703 1.00 0.00 O ATOM 1553 CB ILE A 104 7.879 -3.590 -0.530 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.297 -3.513 0.090 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.922 -4.328 0.424 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.362 -2.687 1.381 1.00 0.00 C ATOM 0 H ILE A 104 9.256 -2.801 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 104 8.126 -5.328 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 104 7.538 -2.565 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.648 -4.524 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.981 -3.082 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.928 -3.837 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.912 -4.308 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.247 -5.362 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.385 -2.678 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 104 9.042 -1.665 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.705 -3.129 2.130 1.00 0.00 H new ATOM 1568 N SER A 105 6.162 -3.011 -3.113 1.00 0.00 N ATOM 1569 CA SER A 105 4.877 -2.733 -3.722 1.00 0.00 C ATOM 1570 C SER A 105 4.632 -3.658 -4.911 1.00 0.00 C ATOM 1571 O SER A 105 3.581 -4.294 -4.960 1.00 0.00 O ATOM 1572 CB SER A 105 4.798 -1.252 -4.126 1.00 0.00 C ATOM 1573 OG SER A 105 5.558 -0.460 -3.230 1.00 0.00 O ATOM 0 H SER A 105 6.787 -2.205 -3.106 1.00 0.00 H new ATOM 0 HA SER A 105 4.088 -2.927 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.171 -1.124 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.759 -0.922 -4.124 1.00 0.00 H new ATOM 0 HG SER A 105 5.167 0.437 -3.174 1.00 0.00 H new ATOM 1579 N THR A 106 5.581 -3.788 -5.842 1.00 0.00 N ATOM 1580 CA THR A 106 5.365 -4.606 -7.023 1.00 0.00 C ATOM 1581 C THR A 106 5.189 -6.067 -6.648 1.00 0.00 C ATOM 1582 O THR A 106 4.224 -6.670 -7.105 1.00 0.00 O ATOM 1583 CB THR A 106 6.490 -4.424 -8.048 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.764 -4.420 -7.436 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.273 -3.110 -8.788 1.00 0.00 C ATOM 0 H THR A 106 6.496 -3.339 -5.796 1.00 0.00 H new ATOM 0 HA THR A 106 4.442 -4.269 -7.494 1.00 0.00 H new ATOM 0 HB THR A 106 6.462 -5.264 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.455 -4.303 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.068 -2.969 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.310 -3.134 -9.298 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.286 -2.285 -8.076 1.00 0.00 H new ATOM 1593 N GLU A 107 6.049 -6.637 -5.799 1.00 0.00 N ATOM 1594 CA GLU A 107 5.935 -8.046 -5.445 1.00 0.00 C ATOM 1595 C GLU A 107 4.577 -8.328 -4.789 1.00 0.00 C ATOM 1596 O GLU A 107 3.931 -9.325 -5.118 1.00 0.00 O ATOM 1597 CB GLU A 107 7.104 -8.474 -4.544 1.00 0.00 C ATOM 1598 CG GLU A 107 8.460 -8.477 -5.272 1.00 0.00 C ATOM 1599 CD GLU A 107 8.507 -9.460 -6.454 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.611 -10.688 -6.228 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.457 -9.006 -7.620 1.00 0.00 O ATOM 0 H GLU A 107 6.823 -6.147 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 107 5.990 -8.642 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.160 -7.801 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.907 -9.472 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.673 -7.471 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.246 -8.734 -4.562 1.00 0.00 H new ATOM 1608 N LYS A 108 4.099 -7.428 -3.922 1.00 0.00 N ATOM 1609 CA LYS A 108 2.789 -7.579 -3.295 1.00 0.00 C ATOM 1610 C LYS A 108 1.661 -7.446 -4.317 1.00 0.00 C ATOM 1611 O LYS A 108 0.758 -8.280 -4.318 1.00 0.00 O ATOM 1612 CB LYS A 108 2.640 -6.570 -2.148 1.00 0.00 C ATOM 1613 CG LYS A 108 3.449 -7.011 -0.922 1.00 0.00 C ATOM 1614 CD LYS A 108 3.288 -6.024 0.242 1.00 0.00 C ATOM 1615 CE LYS A 108 3.994 -6.573 1.487 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.157 -7.563 2.204 1.00 0.00 N ATOM 0 H LYS A 108 4.604 -6.587 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 108 2.716 -8.584 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.977 -5.587 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.588 -6.472 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.124 -8.003 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.503 -7.091 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.709 -5.056 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.230 -5.865 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.936 -7.037 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.239 -5.750 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.759 -8.329 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.673 -7.098 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.450 -7.958 1.551 1.00 0.00 H new ATOM 1630 N ILE A 109 1.690 -6.444 -5.200 1.00 0.00 N ATOM 1631 CA ILE A 109 0.632 -6.255 -6.195 1.00 0.00 C ATOM 1632 C ILE A 109 0.630 -7.458 -7.161 1.00 0.00 C ATOM 1633 O ILE A 109 -0.447 -7.961 -7.478 1.00 0.00 O ATOM 1634 CB ILE A 109 0.761 -4.872 -6.892 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.623 -3.701 -5.885 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.333 -4.663 -7.963 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.183 -2.377 -6.429 1.00 0.00 C ATOM 0 H ILE A 109 2.436 -5.750 -5.246 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.346 -6.232 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 109 1.751 -4.873 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.429 -3.568 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.143 -3.958 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.207 -3.684 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.249 -5.438 -8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.316 -4.719 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.059 -1.594 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.242 -2.496 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.646 -2.100 -7.336 1.00 0.00 H new ATOM 1649 N LYS A 110 1.794 -7.985 -7.575 1.00 0.00 N ATOM 1650 CA LYS A 110 1.867 -9.193 -8.408 1.00 0.00 C ATOM 1651 C LYS A 110 1.197 -10.357 -7.679 1.00 0.00 C ATOM 1652 O LYS A 110 0.383 -11.055 -8.278 1.00 0.00 O ATOM 1653 CB LYS A 110 3.323 -9.585 -8.735 1.00 0.00 C ATOM 1654 CG LYS A 110 4.111 -8.651 -9.669 1.00 0.00 C ATOM 1655 CD LYS A 110 5.584 -9.088 -9.670 1.00 0.00 C ATOM 1656 CE LYS A 110 6.492 -8.109 -10.423 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.921 -8.482 -10.286 1.00 0.00 N ATOM 0 H LYS A 110 2.704 -7.588 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 110 1.354 -8.975 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.870 -9.663 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.313 -10.579 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.703 -8.694 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.023 -7.618 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.932 -9.181 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.665 -10.075 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.218 -8.094 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.339 -7.100 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.514 -7.755 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.166 -8.555 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.087 -9.398 -10.750 1.00 0.00 H new ATOM 1671 N ALA A 111 1.514 -10.561 -6.395 1.00 0.00 N ATOM 1672 CA ALA A 111 0.946 -11.649 -5.608 1.00 0.00 C ATOM 1673 C ALA A 111 -0.576 -11.508 -5.467 1.00 0.00 C ATOM 1674 O ALA A 111 -1.287 -12.513 -5.508 1.00 0.00 O ATOM 1675 CB ALA A 111 1.615 -11.702 -4.230 1.00 0.00 C ATOM 0 H ALA A 111 2.170 -9.975 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 111 1.139 -12.584 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.185 -12.517 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.685 -11.868 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.451 -10.759 -3.709 1.00 0.00 H new ATOM 1681 N LYS A 112 -1.085 -10.281 -5.305 1.00 0.00 N ATOM 1682 CA LYS A 112 -2.521 -10.021 -5.205 1.00 0.00 C ATOM 1683 C LYS A 112 -3.224 -10.252 -6.547 1.00 0.00 C ATOM 1684 O LYS A 112 -4.344 -10.766 -6.548 1.00 0.00 O ATOM 1685 CB LYS A 112 -2.742 -8.595 -4.673 1.00 0.00 C ATOM 1686 CG LYS A 112 -4.220 -8.269 -4.406 1.00 0.00 C ATOM 1687 CD LYS A 112 -4.827 -8.979 -3.184 1.00 0.00 C ATOM 1688 CE LYS A 112 -6.349 -8.772 -3.099 1.00 0.00 C ATOM 1689 NZ LYS A 112 -6.748 -7.347 -2.960 1.00 0.00 N ATOM 0 H LYS A 112 -0.510 -9.441 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.967 -10.725 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.176 -8.467 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.344 -7.880 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.321 -7.192 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.801 -8.535 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.608 -10.045 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.358 -8.602 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.814 -9.185 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.737 -9.334 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.751 -7.292 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.166 -6.893 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.607 -6.857 -3.866 1.00 0.00 H new ATOM 1703 N TYR A 113 -2.587 -9.917 -7.673 1.00 0.00 N ATOM 1704 CA TYR A 113 -3.209 -9.914 -8.997 1.00 0.00 C ATOM 1705 C TYR A 113 -2.364 -10.734 -9.989 1.00 0.00 C ATOM 1706 O TYR A 113 -1.845 -10.177 -10.960 1.00 0.00 O ATOM 1707 CB TYR A 113 -3.448 -8.460 -9.451 1.00 0.00 C ATOM 1708 CG TYR A 113 -4.283 -7.627 -8.490 1.00 0.00 C ATOM 1709 CD1 TYR A 113 -5.673 -7.830 -8.396 1.00 0.00 C ATOM 1710 CD2 TYR A 113 -3.663 -6.666 -7.669 1.00 0.00 C ATOM 1711 CE1 TYR A 113 -6.438 -7.094 -7.472 1.00 0.00 C ATOM 1712 CE2 TYR A 113 -4.420 -5.924 -6.744 1.00 0.00 C ATOM 1713 CZ TYR A 113 -5.811 -6.145 -6.630 1.00 0.00 C ATOM 1714 OH TYR A 113 -6.526 -5.474 -5.681 1.00 0.00 O ATOM 0 H TYR A 113 -1.607 -9.635 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 113 -4.184 -10.400 -8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.483 -7.973 -9.589 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -3.941 -8.473 -10.423 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.155 -8.554 -9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -2.599 -6.497 -7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.504 -7.254 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -3.938 -5.185 -6.121 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.933 -4.863 -5.195 1.00 0.00 H new ATOM 1724 N PRO A 114 -2.202 -12.058 -9.779 1.00 0.00 N ATOM 1725 CA PRO A 114 -1.298 -12.889 -10.573 1.00 0.00 C ATOM 1726 C PRO A 114 -1.792 -13.116 -12.012 1.00 0.00 C ATOM 1727 O PRO A 114 -1.032 -13.605 -12.849 1.00 0.00 O ATOM 1728 CB PRO A 114 -1.179 -14.207 -9.800 1.00 0.00 C ATOM 1729 CG PRO A 114 -2.526 -14.319 -9.091 1.00 0.00 C ATOM 1730 CD PRO A 114 -2.849 -12.865 -8.753 1.00 0.00 C ATOM 0 HA PRO A 114 -0.333 -12.397 -10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.004 -15.051 -10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.351 -14.185 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.286 -14.764 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.462 -14.938 -8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.926 -12.697 -8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.479 -12.604 -7.761 1.00 0.00 H new ATOM 1738 N ASP A 115 -3.046 -12.760 -12.319 1.00 0.00 N ATOM 1739 CA ASP A 115 -3.575 -12.740 -13.686 1.00 0.00 C ATOM 1740 C ASP A 115 -2.913 -11.648 -14.546 1.00 0.00 C ATOM 1741 O ASP A 115 -3.032 -11.669 -15.772 1.00 0.00 O ATOM 1742 CB ASP A 115 -5.096 -12.537 -13.646 1.00 0.00 C ATOM 1743 CG ASP A 115 -5.736 -12.694 -15.037 1.00 0.00 C ATOM 1744 OD1 ASP A 115 -5.621 -13.785 -15.642 1.00 0.00 O ATOM 1745 OD2 ASP A 115 -6.420 -11.757 -15.505 1.00 0.00 O ATOM 0 H ASP A 115 -3.728 -12.475 -11.616 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.343 -13.699 -14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.540 -13.258 -12.959 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.319 -11.545 -13.254 1.00 0.00 H new ATOM 1750 N TYR A 116 -2.180 -10.723 -13.916 1.00 0.00 N ATOM 1751 CA TYR A 116 -1.447 -9.630 -14.542 1.00 0.00 C ATOM 1752 C TYR A 116 -0.004 -9.628 -14.013 1.00 0.00 C ATOM 1753 O TYR A 116 0.416 -10.532 -13.285 1.00 0.00 O ATOM 1754 CB TYR A 116 -2.169 -8.296 -14.261 1.00 0.00 C ATOM 1755 CG TYR A 116 -3.604 -8.224 -14.758 1.00 0.00 C ATOM 1756 CD1 TYR A 116 -3.877 -8.318 -16.137 1.00 0.00 C ATOM 1757 CD2 TYR A 116 -4.664 -8.056 -13.846 1.00 0.00 C ATOM 1758 CE1 TYR A 116 -5.203 -8.265 -16.605 1.00 0.00 C ATOM 1759 CE2 TYR A 116 -5.991 -7.988 -14.307 1.00 0.00 C ATOM 1760 CZ TYR A 116 -6.268 -8.099 -15.689 1.00 0.00 C ATOM 1761 OH TYR A 116 -7.559 -8.027 -16.124 1.00 0.00 O ATOM 0 H TYR A 116 -2.080 -10.722 -12.901 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.411 -9.761 -15.623 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -2.164 -8.117 -13.186 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.600 -7.488 -14.722 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.064 -8.431 -16.839 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -4.457 -7.979 -12.789 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.407 -8.351 -17.662 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.800 -7.851 -13.604 1.00 0.00 H new ATOM 0 HH TYR A 116 -8.157 -7.914 -15.356 1.00 0.00 H new ATOM 1771 N GLU A 117 0.767 -8.608 -14.386 1.00 0.00 N ATOM 1772 CA GLU A 117 2.135 -8.379 -13.944 1.00 0.00 C ATOM 1773 C GLU A 117 2.254 -6.888 -13.607 1.00 0.00 C ATOM 1774 O GLU A 117 1.401 -6.085 -14.004 1.00 0.00 O ATOM 1775 CB GLU A 117 3.106 -8.879 -15.034 1.00 0.00 C ATOM 1776 CG GLU A 117 4.581 -8.648 -14.678 1.00 0.00 C ATOM 1777 CD GLU A 117 5.537 -9.425 -15.600 1.00 0.00 C ATOM 1778 OE1 GLU A 117 5.759 -10.637 -15.375 1.00 0.00 O ATOM 1779 OE2 GLU A 117 6.092 -8.818 -16.543 1.00 0.00 O ATOM 0 H GLU A 117 0.438 -7.890 -15.032 1.00 0.00 H new ATOM 0 HA GLU A 117 2.400 -8.937 -13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.941 -9.944 -15.199 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.881 -8.372 -15.973 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.805 -7.583 -14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.754 -8.948 -13.645 1.00 0.00 H new ATOM 1786 N VAL A 118 3.290 -6.525 -12.851 1.00 0.00 N ATOM 1787 CA VAL A 118 3.498 -5.193 -12.307 1.00 0.00 C ATOM 1788 C VAL A 118 4.989 -4.890 -12.433 1.00 0.00 C ATOM 1789 O VAL A 118 5.810 -5.785 -12.215 1.00 0.00 O ATOM 1790 CB VAL A 118 3.066 -5.120 -10.823 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.786 -3.669 -10.403 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.835 -5.971 -10.470 1.00 0.00 C ATOM 0 H VAL A 118 4.031 -7.177 -12.594 1.00 0.00 H new ATOM 0 HA VAL A 118 2.897 -4.465 -12.852 1.00 0.00 H new ATOM 0 HB VAL A 118 3.912 -5.534 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.484 -3.645 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.688 -3.072 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.987 -3.259 -11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.606 -5.858 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.982 -5.641 -11.063 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.043 -7.019 -10.686 1.00 0.00 H new ATOM 1802 N THR A 119 5.346 -3.644 -12.721 1.00 0.00 N ATOM 1803 CA THR A 119 6.725 -3.168 -12.761 1.00 0.00 C ATOM 1804 C THR A 119 6.809 -1.827 -12.025 1.00 0.00 C ATOM 1805 O THR A 119 5.783 -1.286 -11.603 1.00 0.00 O ATOM 1806 CB THR A 119 7.194 -3.080 -14.228 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.220 -2.439 -15.039 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.474 -4.479 -14.785 1.00 0.00 C ATOM 0 H THR A 119 4.666 -2.916 -12.939 1.00 0.00 H new ATOM 0 HA THR A 119 7.396 -3.862 -12.254 1.00 0.00 H new ATOM 0 HB THR A 119 8.111 -2.490 -14.246 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.137 -1.500 -14.770 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.804 -4.399 -15.821 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.253 -4.957 -14.192 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.564 -5.078 -14.739 1.00 0.00 H new ATOM 1816 N TRP A 120 8.013 -1.278 -11.851 1.00 0.00 N ATOM 1817 CA TRP A 120 8.172 0.074 -11.333 1.00 0.00 C ATOM 1818 C TRP A 120 9.337 0.776 -12.014 1.00 0.00 C ATOM 1819 O TRP A 120 10.216 0.129 -12.592 1.00 0.00 O ATOM 1820 CB TRP A 120 8.332 0.085 -9.801 1.00 0.00 C ATOM 1821 CG TRP A 120 9.602 -0.478 -9.234 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.842 -1.787 -9.001 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.804 0.229 -8.786 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.093 -1.947 -8.448 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.730 -0.738 -8.282 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.209 1.586 -8.734 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.983 -0.387 -7.760 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.470 1.943 -8.215 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.355 0.965 -7.729 1.00 0.00 C ATOM 0 H TRP A 120 8.890 -1.753 -12.063 1.00 0.00 H new ATOM 0 HA TRP A 120 7.260 0.625 -11.562 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.239 1.116 -9.460 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.497 -0.469 -9.371 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.153 -2.590 -9.217 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.497 -2.848 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.544 2.356 -9.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.653 -1.148 -7.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.760 2.983 -8.190 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.318 1.253 -7.333 1.00 0.00 H new ATOM 1840 N ALA A 121 9.344 2.102 -11.914 1.00 0.00 N ATOM 1841 CA ALA A 121 10.430 2.972 -12.325 1.00 0.00 C ATOM 1842 C ALA A 121 10.394 4.176 -11.392 1.00 0.00 C ATOM 1843 O ALA A 121 9.313 4.704 -11.118 1.00 0.00 O ATOM 1844 CB ALA A 121 10.218 3.418 -13.778 1.00 0.00 C ATOM 0 H ALA A 121 8.554 2.618 -11.526 1.00 0.00 H new ATOM 0 HA ALA A 121 11.392 2.463 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.036 4.071 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.192 2.543 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.274 3.957 -13.859 1.00 0.00 H new ATOM 1850 N ASN A 122 11.554 4.621 -10.898 1.00 0.00 N ATOM 1851 CA ASN A 122 11.621 5.856 -10.126 1.00 0.00 C ATOM 1852 C ASN A 122 11.639 7.040 -11.098 1.00 0.00 C ATOM 1853 O ASN A 122 12.693 7.592 -11.419 1.00 0.00 O ATOM 1854 CB ASN A 122 12.796 5.898 -9.138 1.00 0.00 C ATOM 1855 CG ASN A 122 12.922 7.273 -8.473 1.00 0.00 C ATOM 1856 OD1 ASN A 122 14.004 7.852 -8.425 1.00 0.00 O ATOM 1857 ND2 ASN A 122 11.840 7.834 -7.947 1.00 0.00 N ATOM 0 H ASN A 122 12.449 4.146 -11.020 1.00 0.00 H new ATOM 0 HA ASN A 122 10.734 5.913 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.657 5.134 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 122 13.722 5.660 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 122 11.906 8.749 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.943 7.350 -7.989 1.00 0.00 H new ATOM 1864 N ASP A 123 10.462 7.394 -11.598 1.00 0.00 N ATOM 1865 CA ASP A 123 10.193 8.607 -12.369 1.00 0.00 C ATOM 1866 C ASP A 123 8.877 9.188 -11.834 1.00 0.00 C ATOM 1867 O ASP A 123 8.328 8.652 -10.868 1.00 0.00 O ATOM 1868 CB ASP A 123 10.143 8.291 -13.873 1.00 0.00 C ATOM 1869 CG ASP A 123 10.440 9.537 -14.724 1.00 0.00 C ATOM 1870 OD1 ASP A 123 9.520 10.347 -14.972 1.00 0.00 O ATOM 1871 OD2 ASP A 123 11.603 9.718 -15.150 1.00 0.00 O ATOM 0 H ASP A 123 9.629 6.819 -11.473 1.00 0.00 H new ATOM 0 HA ASP A 123 10.987 9.345 -12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.867 7.510 -14.105 1.00 0.00 H new ATOM 0 HB3 ASP A 123 9.159 7.900 -14.131 1.00 0.00 H new ATOM 1876 N GLY A 124 8.346 10.259 -12.420 1.00 0.00 N ATOM 1877 CA GLY A 124 7.168 10.943 -11.900 1.00 0.00 C ATOM 1878 C GLY A 124 7.544 11.968 -10.830 1.00 0.00 C ATOM 1879 O GLY A 124 8.681 12.447 -10.783 1.00 0.00 O ATOM 0 H GLY A 124 8.723 10.677 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.646 11.442 -12.716 1.00 0.00 H new ATOM 0 HA3 GLY A 124 6.477 10.212 -11.479 1.00 0.00 H new ATOM 1883 N TYR A 125 6.577 12.304 -9.972 1.00 0.00 N ATOM 1884 CA TYR A 125 6.734 13.229 -8.851 1.00 0.00 C ATOM 1885 C TYR A 125 5.998 12.691 -7.624 1.00 0.00 C ATOM 1886 O TYR A 125 5.199 11.752 -7.734 1.00 0.00 O ATOM 1887 CB TYR A 125 6.213 14.621 -9.229 1.00 0.00 C ATOM 1888 CG TYR A 125 6.384 15.643 -8.118 1.00 0.00 C ATOM 1889 CD1 TYR A 125 7.637 16.252 -7.913 1.00 0.00 C ATOM 1890 CD2 TYR A 125 5.307 15.959 -7.266 1.00 0.00 C ATOM 1891 CE1 TYR A 125 7.819 17.171 -6.865 1.00 0.00 C ATOM 1892 CE2 TYR A 125 5.481 16.876 -6.214 1.00 0.00 C ATOM 1893 CZ TYR A 125 6.740 17.487 -6.007 1.00 0.00 C ATOM 1894 OH TYR A 125 6.898 18.375 -4.985 1.00 0.00 O ATOM 0 H TYR A 125 5.632 11.926 -10.043 1.00 0.00 H new ATOM 0 HA TYR A 125 7.794 13.317 -8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.737 14.969 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 125 5.157 14.549 -9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 125 8.464 16.011 -8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 125 4.344 15.495 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 125 8.782 17.636 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 125 4.652 17.114 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 125 6.051 18.471 -4.501 1.00 0.00 H new TER 1904 TYR A 125 HETATM 1905 P PO4 A 126 1.844 14.648 0.118 1.00 0.00 P HETATM 1906 O1 PO4 A 126 1.525 14.976 -1.281 1.00 0.00 O HETATM 1907 O2 PO4 A 126 3.154 13.963 0.187 1.00 0.00 O HETATM 1908 O3 PO4 A 126 0.769 13.807 0.673 1.00 0.00 O HETATM 1909 O4 PO4 A 126 1.891 15.911 0.872 1.00 0.00 O