USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 27 GLN : amide:sc= -2.38 K(o=-2.4,f=-4.4!) USER MOD Set 1.2: A 29 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0.356 F(o=-0.18,f=0.36) USER MOD Single : A 11 THR OG1 : rot 60:sc= -0.483! USER MOD Single : A 13 GLN : amide:sc= -3.77! C(o=-3.8!,f=-4.9!) USER MOD Single : A 15 ASN : amide:sc= -16! C(o=-16!,f=-18!) USER MOD Single : A 19 SER OG : rot 30:sc= 0.833 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 44:sc=0.000406 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.819 (180deg=-1.26) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.256 (180deg=-0.567) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.0101 USER MOD Single : A 47 MET CE :methyl -152:sc= 0 (180deg=-0.319) USER MOD Single : A 50 GLN :FLIP amide:sc= 0.188 F(o=-0.77,f=0.19) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.0264 (180deg=-0.155) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -25:sc= 0.646 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.039) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot -59:sc= -0.149 USER MOD Single : A 71 MET CE :methyl 162:sc= -4.39 (180deg=-5.04!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -16! C(o=-16!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -3.07! USER MOD Single : A 83 HIS : no HD1:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 85 SER OG : rot 7:sc= 1.27 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0125 USER MOD Single : A1052 NAG O3 : rot 6:sc= 0.0654 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 37:sc= 0.0167 USER MOD Single : A1078 NAG O3 : rot -115:sc= 0.154 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 180:sc= -0.0177 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.138 11.361 14.226 1.00 0.00 N ATOM 2 CA ALA A 1 -13.672 12.450 13.329 1.00 0.00 C ATOM 3 C ALA A 1 -13.473 11.940 11.906 1.00 0.00 C ATOM 4 O ALA A 1 -12.419 11.399 11.571 1.00 0.00 O ATOM 5 CB ALA A 1 -12.380 13.052 13.861 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.266 11.735 15.188 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.043 10.987 13.877 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.431 10.598 14.242 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.439 13.224 13.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.049 13.849 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.552 13.460 14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.613 12.279 13.912 1.00 0.00 H new ATOM 13 N PRO A 2 -14.491 12.109 11.048 1.00 0.00 N ATOM 14 CA PRO A 2 -14.434 11.669 9.653 1.00 0.00 C ATOM 15 C PRO A 2 -13.632 12.626 8.776 1.00 0.00 C ATOM 16 O PRO A 2 -14.070 13.004 7.690 1.00 0.00 O ATOM 17 CB PRO A 2 -15.904 11.664 9.237 1.00 0.00 C ATOM 18 CG PRO A 2 -16.531 12.729 10.068 1.00 0.00 C ATOM 19 CD PRO A 2 -15.780 12.746 11.375 1.00 0.00 C ATOM 0 HA PRO A 2 -13.938 10.705 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.016 11.873 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.365 10.694 9.421 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.468 13.697 9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.589 12.523 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.642 13.762 11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.313 12.195 12.150 1.00 0.00 H new ATOM 27 N ASP A 3 -12.456 13.016 9.258 1.00 0.00 N ATOM 28 CA ASP A 3 -11.593 13.930 8.520 1.00 0.00 C ATOM 29 C ASP A 3 -10.459 13.173 7.835 1.00 0.00 C ATOM 30 O ASP A 3 -9.511 12.734 8.487 1.00 0.00 O ATOM 31 CB ASP A 3 -11.017 14.993 9.459 1.00 0.00 C ATOM 32 CG ASP A 3 -11.973 15.354 10.580 1.00 0.00 C ATOM 33 OD1 ASP A 3 -12.188 14.507 11.473 1.00 0.00 O ATOM 34 OD2 ASP A 3 -12.506 16.484 10.566 1.00 0.00 O ATOM 0 H ASP A 3 -12.079 12.713 10.156 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.195 14.419 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.082 14.629 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.778 15.889 8.886 1.00 0.00 H new ATOM 39 N VAL A 4 -10.562 13.025 6.518 1.00 0.00 N ATOM 40 CA VAL A 4 -9.544 12.323 5.747 1.00 0.00 C ATOM 41 C VAL A 4 -8.584 13.306 5.087 1.00 0.00 C ATOM 42 O VAL A 4 -8.977 14.089 4.223 1.00 0.00 O ATOM 43 CB VAL A 4 -10.176 11.429 4.663 1.00 0.00 C ATOM 44 CG1 VAL A 4 -10.371 10.014 5.186 1.00 0.00 C ATOM 45 CG2 VAL A 4 -11.496 12.016 4.188 1.00 0.00 C ATOM 0 H VAL A 4 -11.340 13.382 5.963 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.993 11.694 6.446 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.497 11.387 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.818 9.397 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.406 9.595 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.029 10.035 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.927 11.370 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.185 12.091 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.324 13.008 3.771 1.00 0.00 H new ATOM 55 N GLN A 5 -7.323 13.262 5.505 1.00 0.00 N ATOM 56 CA GLN A 5 -6.304 14.150 4.959 1.00 0.00 C ATOM 57 C GLN A 5 -5.474 13.440 3.892 1.00 0.00 C ATOM 58 O GLN A 5 -5.689 12.262 3.608 1.00 0.00 O ATOM 59 CB GLN A 5 -5.396 14.666 6.079 1.00 0.00 C ATOM 60 CG GLN A 5 -4.165 13.806 6.315 1.00 0.00 C ATOM 61 CD GLN A 5 -4.507 12.436 6.869 1.00 0.00 C ATOM 62 OE1 GLN A 5 -5.030 12.405 8.088 1.00 0.00 O flip ATOM 63 NE2 GLN A 5 -4.304 11.419 6.208 1.00 0.00 N flip ATOM 0 H GLN A 5 -6.983 12.620 6.221 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.806 14.997 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.078 15.681 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.971 14.723 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.623 13.689 5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.497 14.317 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.900 11.490 5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.540 10.505 6.594 1.00 0.00 H new ATOM 72 N ASP A 6 -4.530 14.167 3.304 1.00 0.00 N ATOM 73 CA ASP A 6 -3.669 13.609 2.264 1.00 0.00 C ATOM 74 C ASP A 6 -3.371 12.137 2.532 1.00 0.00 C ATOM 75 O ASP A 6 -2.860 11.779 3.594 1.00 0.00 O ATOM 76 CB ASP A 6 -2.355 14.392 2.166 1.00 0.00 C ATOM 77 CG ASP A 6 -2.424 15.743 2.850 1.00 0.00 C ATOM 78 OD1 ASP A 6 -2.613 15.773 4.084 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.290 16.770 2.152 1.00 0.00 O ATOM 0 H ASP A 6 -4.341 15.144 3.529 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.202 13.692 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.553 13.804 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.099 14.534 1.116 1.00 0.00 H new ATOM 84 N CYS A 7 -3.690 11.289 1.559 1.00 0.00 N ATOM 85 CA CYS A 7 -3.456 9.855 1.681 1.00 0.00 C ATOM 86 C CYS A 7 -3.731 9.151 0.357 1.00 0.00 C ATOM 87 O CYS A 7 -4.766 8.507 0.186 1.00 0.00 O ATOM 88 CB CYS A 7 -4.336 9.261 2.783 1.00 0.00 C ATOM 89 SG CYS A 7 -3.407 8.401 4.095 1.00 0.00 S ATOM 0 H CYS A 7 -4.113 11.572 0.675 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.410 9.702 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.924 10.060 3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.040 8.561 2.333 1.00 0.00 H new ATOM 94 N PRO A 8 -2.800 9.273 -0.602 1.00 0.00 N ATOM 95 CA PRO A 8 -2.934 8.653 -1.925 1.00 0.00 C ATOM 96 C PRO A 8 -3.249 7.162 -1.840 1.00 0.00 C ATOM 97 O PRO A 8 -3.788 6.687 -0.840 1.00 0.00 O ATOM 98 CB PRO A 8 -1.560 8.874 -2.560 1.00 0.00 C ATOM 99 CG PRO A 8 -1.023 10.085 -1.881 1.00 0.00 C ATOM 100 CD PRO A 8 -1.544 10.030 -0.471 1.00 0.00 C ATOM 0 HA PRO A 8 -3.757 9.084 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.910 8.013 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.641 9.026 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.067 10.090 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.353 10.994 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.842 9.532 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.716 11.028 -0.067 1.00 0.00 H new ATOM 108 N GLU A 9 -2.910 6.430 -2.895 1.00 0.00 N ATOM 109 CA GLU A 9 -3.157 4.994 -2.940 1.00 0.00 C ATOM 110 C GLU A 9 -1.873 4.213 -2.686 1.00 0.00 C ATOM 111 O GLU A 9 -0.800 4.592 -3.157 1.00 0.00 O ATOM 112 CB GLU A 9 -3.745 4.601 -4.297 1.00 0.00 C ATOM 113 CG GLU A 9 -4.968 3.703 -4.197 1.00 0.00 C ATOM 114 CD GLU A 9 -6.228 4.376 -4.706 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.112 5.427 -5.370 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.331 3.852 -4.440 1.00 0.00 O ATOM 0 H GLU A 9 -2.463 6.807 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.872 4.748 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.013 5.506 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.978 4.092 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.792 2.791 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.113 3.407 -3.158 1.00 0.00 H new ATOM 123 N CYS A 10 -1.991 3.120 -1.941 1.00 0.00 N ATOM 124 CA CYS A 10 -0.840 2.283 -1.626 1.00 0.00 C ATOM 125 C CYS A 10 -0.239 1.689 -2.895 1.00 0.00 C ATOM 126 O CYS A 10 -0.948 1.114 -3.720 1.00 0.00 O ATOM 127 CB CYS A 10 -1.246 1.162 -0.666 1.00 0.00 C ATOM 128 SG CYS A 10 0.079 -0.044 -0.330 1.00 0.00 S ATOM 0 H CYS A 10 -2.872 2.793 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.087 2.907 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.568 1.604 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.105 0.636 -1.081 1.00 0.00 H new ATOM 133 N THR A 11 1.074 1.831 -3.040 1.00 0.00 N ATOM 134 CA THR A 11 1.778 1.310 -4.203 1.00 0.00 C ATOM 135 C THR A 11 3.271 1.283 -3.944 1.00 0.00 C ATOM 136 O THR A 11 3.714 1.419 -2.806 1.00 0.00 O ATOM 137 CB THR A 11 1.485 2.160 -5.439 1.00 0.00 C ATOM 138 OG1 THR A 11 2.325 1.786 -6.516 1.00 0.00 O ATOM 139 CG2 THR A 11 1.675 3.642 -5.203 1.00 0.00 C ATOM 0 H THR A 11 1.673 2.304 -2.363 1.00 0.00 H new ATOM 0 HA THR A 11 1.427 0.294 -4.385 1.00 0.00 H new ATOM 0 HB THR A 11 0.437 1.976 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.174 0.843 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.451 4.188 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.004 3.973 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.707 3.834 -4.909 1.00 0.00 H new ATOM 147 N LEU A 12 4.042 1.113 -5.004 1.00 0.00 N ATOM 148 CA LEU A 12 5.487 1.072 -4.890 1.00 0.00 C ATOM 149 C LEU A 12 6.089 2.443 -5.093 1.00 0.00 C ATOM 150 O LEU A 12 5.715 3.172 -6.012 1.00 0.00 O ATOM 151 CB LEU A 12 6.070 0.112 -5.909 1.00 0.00 C ATOM 152 CG LEU A 12 5.889 -1.360 -5.575 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.423 -1.662 -5.321 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.434 -2.208 -6.707 1.00 0.00 C ATOM 0 H LEU A 12 3.689 1.001 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 12 5.730 0.728 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.611 0.309 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.135 0.318 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 12 6.442 -1.599 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.305 -2.719 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.067 -1.060 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.843 -1.424 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.304 -3.263 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.896 -1.976 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.494 -1.995 -6.843 1.00 0.00 H new ATOM 166 N GLN A 13 7.033 2.786 -4.236 1.00 0.00 N ATOM 167 CA GLN A 13 7.696 4.067 -4.332 1.00 0.00 C ATOM 168 C GLN A 13 9.098 3.902 -4.854 1.00 0.00 C ATOM 169 O GLN A 13 10.066 4.375 -4.262 1.00 0.00 O ATOM 170 CB GLN A 13 7.718 4.758 -2.996 1.00 0.00 C ATOM 171 CG GLN A 13 6.382 5.371 -2.629 1.00 0.00 C ATOM 172 CD GLN A 13 6.509 6.542 -1.676 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.603 6.870 -1.216 1.00 0.00 O ATOM 174 NE2 GLN A 13 5.383 7.179 -1.374 1.00 0.00 N ATOM 0 H GLN A 13 7.355 2.196 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 13 7.134 4.685 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.007 4.042 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.479 5.538 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.879 5.702 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.751 4.607 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.499 6.872 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.403 7.975 -0.737 1.00 0.00 H new ATOM 183 N GLU A 14 9.168 3.207 -5.965 1.00 0.00 N ATOM 184 CA GLU A 14 10.426 2.912 -6.643 1.00 0.00 C ATOM 185 C GLU A 14 11.599 3.543 -5.919 1.00 0.00 C ATOM 186 O GLU A 14 11.645 4.754 -5.704 1.00 0.00 O ATOM 187 CB GLU A 14 10.400 3.387 -8.090 1.00 0.00 C ATOM 188 CG GLU A 14 10.922 2.357 -9.081 1.00 0.00 C ATOM 189 CD GLU A 14 9.917 2.024 -10.167 1.00 0.00 C ATOM 190 OE1 GLU A 14 9.103 2.905 -10.516 1.00 0.00 O ATOM 191 OE2 GLU A 14 9.943 0.880 -10.669 1.00 0.00 O ATOM 0 H GLU A 14 8.349 2.822 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 14 10.549 1.829 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.377 3.651 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.996 4.295 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.836 2.733 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.186 1.445 -8.545 1.00 0.00 H new ATOM 198 N ASN A 15 12.531 2.701 -5.534 1.00 0.00 N ATOM 199 CA ASN A 15 13.708 3.130 -4.806 1.00 0.00 C ATOM 200 C ASN A 15 14.586 4.068 -5.617 1.00 0.00 C ATOM 201 O ASN A 15 15.312 3.639 -6.514 1.00 0.00 O ATOM 202 CB ASN A 15 14.527 1.928 -4.359 1.00 0.00 C ATOM 203 CG ASN A 15 14.867 1.987 -2.887 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.765 2.719 -2.470 1.00 0.00 O ATOM 205 ND2 ASN A 15 14.149 1.212 -2.092 1.00 0.00 N ATOM 0 H ASN A 15 12.496 1.698 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 15 13.352 3.680 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.971 1.014 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.447 1.880 -4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.330 1.204 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.415 0.622 -2.483 1.00 0.00 H new ATOM 212 N PRO A 16 14.572 5.364 -5.272 1.00 0.00 N ATOM 213 CA PRO A 16 15.411 6.356 -5.931 1.00 0.00 C ATOM 214 C PRO A 16 16.825 6.272 -5.384 1.00 0.00 C ATOM 215 O PRO A 16 17.662 7.146 -5.608 1.00 0.00 O ATOM 216 CB PRO A 16 14.753 7.675 -5.540 1.00 0.00 C ATOM 217 CG PRO A 16 14.170 7.410 -4.192 1.00 0.00 C ATOM 218 CD PRO A 16 13.780 5.951 -4.175 1.00 0.00 C ATOM 0 HA PRO A 16 15.488 6.226 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 16 15.479 8.487 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.984 7.964 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.894 7.628 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.303 8.046 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.015 5.485 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.710 5.821 -4.339 1.00 0.00 H new ATOM 226 N PHE A 17 17.054 5.193 -4.645 1.00 0.00 N ATOM 227 CA PHE A 17 18.328 4.915 -4.011 1.00 0.00 C ATOM 228 C PHE A 17 19.092 3.851 -4.785 1.00 0.00 C ATOM 229 O PHE A 17 20.185 4.092 -5.298 1.00 0.00 O ATOM 230 CB PHE A 17 18.069 4.416 -2.589 1.00 0.00 C ATOM 231 CG PHE A 17 19.194 4.684 -1.640 1.00 0.00 C ATOM 232 CD1 PHE A 17 20.402 4.024 -1.777 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.043 5.599 -0.614 1.00 0.00 C ATOM 234 CE1 PHE A 17 21.444 4.273 -0.903 1.00 0.00 C ATOM 235 CE2 PHE A 17 20.078 5.852 0.265 1.00 0.00 C ATOM 236 CZ PHE A 17 21.281 5.188 0.120 1.00 0.00 C ATOM 0 H PHE A 17 16.347 4.479 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 17 18.925 5.827 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.164 4.889 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.880 3.343 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 17 20.532 3.307 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.105 6.122 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.384 3.753 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.947 6.567 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.093 5.384 0.805 1.00 0.00 H new ATOM 246 N PHE A 18 18.497 2.668 -4.850 1.00 0.00 N ATOM 247 CA PHE A 18 19.092 1.535 -5.543 1.00 0.00 C ATOM 248 C PHE A 18 18.866 1.631 -7.044 1.00 0.00 C ATOM 249 O PHE A 18 19.283 0.757 -7.804 1.00 0.00 O ATOM 250 CB PHE A 18 18.487 0.244 -5.007 1.00 0.00 C ATOM 251 CG PHE A 18 18.223 0.287 -3.530 1.00 0.00 C ATOM 252 CD1 PHE A 18 19.263 0.486 -2.644 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.941 0.128 -3.029 1.00 0.00 C ATOM 254 CE1 PHE A 18 19.038 0.526 -1.282 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.709 0.167 -1.666 1.00 0.00 C ATOM 256 CZ PHE A 18 17.758 0.366 -0.792 1.00 0.00 C ATOM 0 H PHE A 18 17.592 2.467 -4.425 1.00 0.00 H new ATOM 0 HA PHE A 18 20.167 1.542 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.553 0.042 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.161 -0.584 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 18 20.267 0.612 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.116 -0.028 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.862 0.682 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.706 0.042 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.578 0.396 0.272 1.00 0.00 H new ATOM 266 N SER A 19 18.196 2.694 -7.464 1.00 0.00 N ATOM 267 CA SER A 19 17.907 2.900 -8.871 1.00 0.00 C ATOM 268 C SER A 19 19.170 2.776 -9.712 1.00 0.00 C ATOM 269 O SER A 19 20.049 3.638 -9.674 1.00 0.00 O ATOM 270 CB SER A 19 17.262 4.267 -9.092 1.00 0.00 C ATOM 271 OG SER A 19 18.144 5.314 -8.728 1.00 0.00 O ATOM 0 H SER A 19 17.843 3.426 -6.848 1.00 0.00 H new ATOM 0 HA SER A 19 17.207 2.126 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.979 4.374 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.346 4.339 -8.506 1.00 0.00 H new ATOM 0 HG SER A 19 19.070 5.025 -8.866 1.00 0.00 H new ATOM 277 N GLN A 20 19.246 1.693 -10.467 1.00 0.00 N ATOM 278 CA GLN A 20 20.390 1.423 -11.329 1.00 0.00 C ATOM 279 C GLN A 20 19.998 1.558 -12.798 1.00 0.00 C ATOM 280 O GLN A 20 18.836 1.811 -13.113 1.00 0.00 O ATOM 281 CB GLN A 20 20.922 0.015 -11.052 1.00 0.00 C ATOM 282 CG GLN A 20 21.872 -0.054 -9.868 1.00 0.00 C ATOM 283 CD GLN A 20 23.328 -0.058 -10.289 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.993 0.977 -10.275 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.831 -1.227 -10.667 1.00 0.00 N ATOM 0 H GLN A 20 18.520 0.977 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 20 21.172 2.151 -11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.080 -0.653 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.435 -0.352 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.690 0.796 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.662 -0.954 -9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.243 -2.060 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.805 -1.292 -10.961 1.00 0.00 H new ATOM 294 N PRO A 21 20.964 1.395 -13.720 1.00 0.00 N ATOM 295 CA PRO A 21 20.705 1.501 -15.161 1.00 0.00 C ATOM 296 C PRO A 21 19.603 0.551 -15.621 1.00 0.00 C ATOM 297 O PRO A 21 19.861 -0.413 -16.341 1.00 0.00 O ATOM 298 CB PRO A 21 22.046 1.115 -15.795 1.00 0.00 C ATOM 299 CG PRO A 21 23.058 1.398 -14.740 1.00 0.00 C ATOM 300 CD PRO A 21 22.379 1.098 -13.434 1.00 0.00 C ATOM 0 HA PRO A 21 20.359 2.496 -15.441 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.059 0.064 -16.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.240 1.697 -16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.945 0.778 -14.872 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.386 2.437 -14.781 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.521 0.060 -13.135 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.766 1.719 -12.626 1.00 0.00 H new ATOM 308 N GLY A 22 18.375 0.829 -15.195 1.00 0.00 N ATOM 309 CA GLY A 22 17.251 -0.009 -15.566 1.00 0.00 C ATOM 310 C GLY A 22 16.633 -0.707 -14.374 1.00 0.00 C ATOM 311 O GLY A 22 15.977 -1.739 -14.522 1.00 0.00 O ATOM 0 H GLY A 22 18.139 1.622 -14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.494 0.601 -16.059 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.581 -0.755 -16.289 1.00 0.00 H new ATOM 315 N ALA A 23 16.842 -0.147 -13.188 1.00 0.00 N ATOM 316 CA ALA A 23 16.301 -0.732 -11.970 1.00 0.00 C ATOM 317 C ALA A 23 16.275 0.268 -10.840 1.00 0.00 C ATOM 318 O ALA A 23 17.242 0.456 -10.106 1.00 0.00 O ATOM 319 CB ALA A 23 17.084 -1.972 -11.596 1.00 0.00 C ATOM 0 H ALA A 23 17.380 0.708 -13.045 1.00 0.00 H new ATOM 0 HA ALA A 23 15.268 -1.023 -12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.671 -2.402 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 23 17.017 -2.702 -12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.128 -1.707 -11.432 1.00 0.00 H new ATOM 325 N PRO A 24 15.129 0.922 -10.727 1.00 0.00 N ATOM 326 CA PRO A 24 14.852 1.950 -9.736 1.00 0.00 C ATOM 327 C PRO A 24 14.198 1.410 -8.471 1.00 0.00 C ATOM 328 O PRO A 24 13.421 2.105 -7.820 1.00 0.00 O ATOM 329 CB PRO A 24 13.892 2.827 -10.518 1.00 0.00 C ATOM 330 CG PRO A 24 13.077 1.854 -11.309 1.00 0.00 C ATOM 331 CD PRO A 24 13.980 0.704 -11.617 1.00 0.00 C ATOM 0 HA PRO A 24 15.747 2.446 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.267 3.425 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.425 3.522 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.207 1.524 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.705 2.313 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.495 -0.252 -11.419 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.279 0.698 -12.665 1.00 0.00 H new ATOM 339 N ILE A 25 14.544 0.177 -8.135 1.00 0.00 N ATOM 340 CA ILE A 25 14.035 -0.507 -6.955 1.00 0.00 C ATOM 341 C ILE A 25 12.751 0.092 -6.411 1.00 0.00 C ATOM 342 O ILE A 25 12.154 0.958 -7.034 1.00 0.00 O ATOM 343 CB ILE A 25 15.117 -0.587 -5.876 1.00 0.00 C ATOM 344 CG1 ILE A 25 16.220 -1.464 -6.411 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.554 -1.207 -4.617 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.650 -2.731 -6.988 1.00 0.00 C ATOM 0 H ILE A 25 15.196 -0.385 -8.682 1.00 0.00 H new ATOM 0 HA ILE A 25 13.773 -1.517 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 25 15.486 0.410 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.780 -0.928 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.922 -1.704 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.333 -1.258 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.728 -0.598 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.194 -2.212 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.459 -3.353 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.110 -3.274 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.967 -2.485 -7.801 1.00 0.00 H new ATOM 358 N LEU A 26 12.272 -0.439 -5.288 1.00 0.00 N ATOM 359 CA LEU A 26 11.005 -0.002 -4.744 1.00 0.00 C ATOM 360 C LEU A 26 10.870 -0.178 -3.253 1.00 0.00 C ATOM 361 O LEU A 26 11.837 -0.360 -2.517 1.00 0.00 O ATOM 362 CB LEU A 26 9.943 -0.829 -5.416 1.00 0.00 C ATOM 363 CG LEU A 26 10.484 -1.577 -6.606 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.694 -2.835 -6.866 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.504 -0.692 -7.837 1.00 0.00 C ATOM 0 H LEU A 26 12.743 -1.165 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 26 10.916 1.069 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.527 -1.538 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.126 -0.182 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 26 11.509 -1.867 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.109 -3.353 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.748 -3.486 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.653 -2.577 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.899 -1.254 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.491 -0.360 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.137 0.176 -7.651 1.00 0.00 H new ATOM 377 N GLN A 27 9.619 -0.121 -2.849 1.00 0.00 N ATOM 378 CA GLN A 27 9.231 -0.275 -1.452 1.00 0.00 C ATOM 379 C GLN A 27 7.823 0.267 -1.231 1.00 0.00 C ATOM 380 O GLN A 27 7.640 1.415 -0.827 1.00 0.00 O ATOM 381 CB GLN A 27 10.233 0.428 -0.538 1.00 0.00 C ATOM 382 CG GLN A 27 9.682 0.768 0.840 1.00 0.00 C ATOM 383 CD GLN A 27 9.916 2.216 1.224 1.00 0.00 C ATOM 384 OE1 GLN A 27 9.140 3.100 0.861 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.988 2.466 1.965 1.00 0.00 N ATOM 0 H GLN A 27 8.833 0.034 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 27 9.233 -1.337 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.110 -0.208 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.568 1.346 -1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.612 0.560 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.147 0.120 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.605 1.703 2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.195 3.421 2.256 1.00 0.00 H new ATOM 394 N CYS A 28 6.836 -0.576 -1.522 1.00 0.00 N ATOM 395 CA CYS A 28 5.428 -0.211 -1.385 1.00 0.00 C ATOM 396 C CYS A 28 5.238 0.898 -0.355 1.00 0.00 C ATOM 397 O CYS A 28 5.442 0.685 0.839 1.00 0.00 O ATOM 398 CB CYS A 28 4.582 -1.427 -0.989 1.00 0.00 C ATOM 399 SG CYS A 28 3.068 -1.632 -1.987 1.00 0.00 S ATOM 0 H CYS A 28 6.988 -1.527 -1.858 1.00 0.00 H new ATOM 0 HA CYS A 28 5.095 0.154 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.191 -2.326 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.304 -1.337 0.061 1.00 0.00 H new ATOM 404 N MET A 29 4.840 2.077 -0.820 1.00 0.00 N ATOM 405 CA MET A 29 4.621 3.209 0.074 1.00 0.00 C ATOM 406 C MET A 29 3.377 3.992 -0.329 1.00 0.00 C ATOM 407 O MET A 29 3.239 4.410 -1.479 1.00 0.00 O ATOM 408 CB MET A 29 5.838 4.132 0.076 1.00 0.00 C ATOM 409 CG MET A 29 6.526 4.227 1.427 1.00 0.00 C ATOM 410 SD MET A 29 6.702 2.623 2.229 1.00 0.00 S ATOM 411 CE MET A 29 7.666 3.068 3.670 1.00 0.00 C ATOM 0 H MET A 29 4.663 2.274 -1.805 1.00 0.00 H new ATOM 0 HA MET A 29 4.471 2.816 1.080 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.555 3.776 -0.663 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.528 5.129 -0.236 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.511 4.675 1.298 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.956 4.893 2.075 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.933 2.167 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.574 3.583 3.356 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.079 3.726 4.311 1.00 0.00 H new ATOM 421 N GLY A 30 2.474 4.190 0.626 1.00 0.00 N ATOM 422 CA GLY A 30 1.253 4.925 0.352 1.00 0.00 C ATOM 423 C GLY A 30 0.179 4.684 1.394 1.00 0.00 C ATOM 424 O GLY A 30 0.468 4.237 2.504 1.00 0.00 O ATOM 0 H GLY A 30 2.566 3.855 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.478 5.991 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.873 4.638 -0.629 1.00 0.00 H new ATOM 428 N CYS A 31 -1.064 4.982 1.034 1.00 0.00 N ATOM 429 CA CYS A 31 -2.190 4.797 1.943 1.00 0.00 C ATOM 430 C CYS A 31 -3.159 3.751 1.402 1.00 0.00 C ATOM 431 O CYS A 31 -3.098 3.379 0.230 1.00 0.00 O ATOM 432 CB CYS A 31 -2.927 6.121 2.154 1.00 0.00 C ATOM 433 SG CYS A 31 -1.980 7.367 3.086 1.00 0.00 S ATOM 0 H CYS A 31 -1.318 5.353 0.119 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.797 4.449 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.191 6.535 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.861 5.923 2.680 1.00 0.00 H new ATOM 438 N CYS A 32 -4.057 3.287 2.264 1.00 0.00 N ATOM 439 CA CYS A 32 -5.047 2.290 1.875 1.00 0.00 C ATOM 440 C CYS A 32 -6.427 2.668 2.403 1.00 0.00 C ATOM 441 O CYS A 32 -7.340 1.843 2.431 1.00 0.00 O ATOM 442 CB CYS A 32 -4.646 0.907 2.395 1.00 0.00 C ATOM 443 SG CYS A 32 -4.161 -0.267 1.086 1.00 0.00 S ATOM 0 H CYS A 32 -4.120 3.586 3.237 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.088 2.258 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.817 1.019 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.480 0.485 2.956 1.00 0.00 H new ATOM 448 N PHE A 33 -6.569 3.922 2.822 1.00 0.00 N ATOM 449 CA PHE A 33 -7.835 4.416 3.351 1.00 0.00 C ATOM 450 C PHE A 33 -8.429 3.429 4.350 1.00 0.00 C ATOM 451 O PHE A 33 -7.791 2.442 4.715 1.00 0.00 O ATOM 452 CB PHE A 33 -8.825 4.666 2.213 1.00 0.00 C ATOM 453 CG PHE A 33 -8.168 4.852 0.876 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.382 5.964 0.623 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.338 3.913 -0.129 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.777 6.137 -0.608 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.736 4.080 -1.361 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.954 5.194 -1.601 1.00 0.00 C ATOM 0 H PHE A 33 -5.821 4.615 2.805 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.642 5.356 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.518 3.827 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.416 5.552 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.240 6.704 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.948 3.041 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.167 7.009 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.876 3.341 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.482 5.327 -2.563 1.00 0.00 H new ATOM 468 N SER A 34 -9.655 3.700 4.787 1.00 0.00 N ATOM 469 CA SER A 34 -10.335 2.832 5.741 1.00 0.00 C ATOM 470 C SER A 34 -11.025 1.678 5.023 1.00 0.00 C ATOM 471 O SER A 34 -10.661 1.330 3.899 1.00 0.00 O ATOM 472 CB SER A 34 -11.358 3.630 6.551 1.00 0.00 C ATOM 473 OG SER A 34 -11.118 3.506 7.942 1.00 0.00 O ATOM 0 H SER A 34 -10.197 4.513 4.496 1.00 0.00 H new ATOM 0 HA SER A 34 -9.588 2.422 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.314 4.681 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.363 3.278 6.320 1.00 0.00 H new ATOM 0 HG SER A 34 -11.785 4.027 8.437 1.00 0.00 H new ATOM 479 N ARG A 35 -12.024 1.089 5.672 1.00 0.00 N ATOM 480 CA ARG A 35 -12.762 -0.023 5.084 1.00 0.00 C ATOM 481 C ARG A 35 -13.512 0.431 3.834 1.00 0.00 C ATOM 482 O ARG A 35 -13.161 1.441 3.225 1.00 0.00 O ATOM 483 CB ARG A 35 -13.743 -0.611 6.100 1.00 0.00 C ATOM 484 CG ARG A 35 -15.001 0.222 6.285 1.00 0.00 C ATOM 485 CD ARG A 35 -15.635 -0.024 7.645 1.00 0.00 C ATOM 486 NE ARG A 35 -16.769 0.863 7.887 1.00 0.00 N ATOM 487 CZ ARG A 35 -17.970 0.690 7.343 1.00 0.00 C ATOM 488 NH1 ARG A 35 -18.190 -0.333 6.528 1.00 0.00 N ATOM 489 NH2 ARG A 35 -18.950 1.541 7.614 1.00 0.00 N ATOM 0 H ARG A 35 -12.340 1.362 6.602 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.046 -0.795 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.025 -1.614 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.240 -0.712 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.757 1.279 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.717 -0.019 5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.965 -1.061 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.888 0.121 8.425 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.632 1.660 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.437 -0.989 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.112 -0.464 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.783 2.329 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.871 1.408 7.196 1.00 0.00 H new ATOM 503 N ALA A 36 -14.544 -0.318 3.456 1.00 0.00 N ATOM 504 CA ALA A 36 -15.336 0.018 2.277 1.00 0.00 C ATOM 505 C ALA A 36 -15.666 1.506 2.250 1.00 0.00 C ATOM 506 O ALA A 36 -16.040 2.086 3.270 1.00 0.00 O ATOM 507 CB ALA A 36 -16.613 -0.808 2.238 1.00 0.00 C ATOM 0 H ALA A 36 -14.850 -1.158 3.947 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.743 -0.217 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.190 -0.544 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.360 -1.868 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.205 -0.605 3.131 1.00 0.00 H new ATOM 513 N TYR A 37 -15.526 2.121 1.080 1.00 0.00 N ATOM 514 CA TYR A 37 -15.811 3.543 0.931 1.00 0.00 C ATOM 515 C TYR A 37 -17.138 3.900 1.593 1.00 0.00 C ATOM 516 O TYR A 37 -18.148 3.226 1.390 1.00 0.00 O ATOM 517 CB TYR A 37 -15.834 3.931 -0.549 1.00 0.00 C ATOM 518 CG TYR A 37 -14.506 3.731 -1.243 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.517 4.707 -1.193 1.00 0.00 C ATOM 520 CD2 TYR A 37 -14.238 2.562 -1.945 1.00 0.00 C ATOM 521 CE1 TYR A 37 -12.301 4.523 -1.823 1.00 0.00 C ATOM 522 CE2 TYR A 37 -13.025 2.372 -2.578 1.00 0.00 C ATOM 523 CZ TYR A 37 -12.060 3.354 -2.514 1.00 0.00 C ATOM 524 OH TYR A 37 -10.850 3.167 -3.141 1.00 0.00 O ATOM 0 H TYR A 37 -15.218 1.659 0.224 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.018 4.104 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -16.595 3.341 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.128 4.977 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.702 5.624 -0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.991 1.789 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.543 5.291 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.834 1.458 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.126 3.455 -2.547 1.00 0.00 H new ATOM 534 N PRO A 38 -17.146 4.970 2.402 1.00 0.00 N ATOM 535 CA PRO A 38 -18.347 5.429 3.111 1.00 0.00 C ATOM 536 C PRO A 38 -19.500 5.744 2.165 1.00 0.00 C ATOM 537 O PRO A 38 -19.336 5.740 0.945 1.00 0.00 O ATOM 538 CB PRO A 38 -17.883 6.704 3.829 1.00 0.00 C ATOM 539 CG PRO A 38 -16.617 7.099 3.147 1.00 0.00 C ATOM 540 CD PRO A 38 -15.982 5.818 2.692 1.00 0.00 C ATOM 0 HA PRO A 38 -18.732 4.662 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -18.632 7.492 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.717 6.520 4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.817 7.758 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.960 7.642 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.358 5.965 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.346 5.384 3.464 1.00 0.00 H new ATOM 548 N THR A 39 -20.669 6.017 2.739 1.00 0.00 N ATOM 549 CA THR A 39 -21.854 6.336 1.950 1.00 0.00 C ATOM 550 C THR A 39 -21.594 7.533 1.043 1.00 0.00 C ATOM 551 O THR A 39 -21.032 8.539 1.474 1.00 0.00 O ATOM 552 CB THR A 39 -23.041 6.630 2.870 1.00 0.00 C ATOM 553 OG1 THR A 39 -22.613 6.761 4.214 1.00 0.00 O ATOM 554 CG2 THR A 39 -24.110 5.560 2.829 1.00 0.00 C ATOM 0 H THR A 39 -20.820 6.024 3.748 1.00 0.00 H new ATOM 0 HA THR A 39 -22.090 5.473 1.328 1.00 0.00 H new ATOM 0 HB THR A 39 -23.470 7.561 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 39 -23.386 6.950 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 39 -24.922 5.831 3.504 1.00 0.00 H new ATOM 0 HG22 THR A 39 -24.496 5.471 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 39 -23.683 4.607 3.140 1.00 0.00 H new ATOM 562 N PRO A 40 -22.004 7.440 -0.231 1.00 0.00 N ATOM 563 CA PRO A 40 -21.816 8.519 -1.203 1.00 0.00 C ATOM 564 C PRO A 40 -22.791 9.670 -0.984 1.00 0.00 C ATOM 565 O PRO A 40 -23.961 9.454 -0.669 1.00 0.00 O ATOM 566 CB PRO A 40 -22.089 7.836 -2.541 1.00 0.00 C ATOM 567 CG PRO A 40 -23.032 6.729 -2.215 1.00 0.00 C ATOM 568 CD PRO A 40 -22.683 6.272 -0.823 1.00 0.00 C ATOM 0 HA PRO A 40 -20.825 8.968 -1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -22.526 8.531 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -21.170 7.455 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -24.066 7.072 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.933 5.911 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.573 5.997 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -22.033 5.397 -0.840 1.00 0.00 H new ATOM 576 N LEU A 41 -22.301 10.894 -1.152 1.00 0.00 N ATOM 577 CA LEU A 41 -23.132 12.078 -0.970 1.00 0.00 C ATOM 578 C LEU A 41 -24.447 11.944 -1.732 1.00 0.00 C ATOM 579 O LEU A 41 -24.542 12.322 -2.899 1.00 0.00 O ATOM 580 CB LEU A 41 -22.386 13.333 -1.430 1.00 0.00 C ATOM 581 CG LEU A 41 -21.296 13.097 -2.477 1.00 0.00 C ATOM 582 CD1 LEU A 41 -21.430 14.092 -3.620 1.00 0.00 C ATOM 583 CD2 LEU A 41 -19.917 13.198 -1.840 1.00 0.00 C ATOM 0 H LEU A 41 -21.335 11.091 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 41 -23.357 12.170 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.111 14.038 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.934 13.807 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.417 12.092 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.646 13.909 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -22.405 13.974 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -21.334 15.106 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -19.153 13.028 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.787 14.191 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.823 12.448 -1.055 1.00 0.00 H new ATOM 595 N ARG A 42 -25.460 11.404 -1.061 1.00 0.00 N ATOM 596 CA ARG A 42 -26.773 11.219 -1.668 1.00 0.00 C ATOM 597 C ARG A 42 -26.653 10.693 -3.095 1.00 0.00 C ATOM 598 O ARG A 42 -27.524 10.935 -3.930 1.00 0.00 O ATOM 599 CB ARG A 42 -27.548 12.539 -1.666 1.00 0.00 C ATOM 600 CG ARG A 42 -29.051 12.363 -1.528 1.00 0.00 C ATOM 601 CD ARG A 42 -29.810 13.455 -2.265 1.00 0.00 C ATOM 602 NE ARG A 42 -29.694 14.748 -1.598 1.00 0.00 N ATOM 603 CZ ARG A 42 -30.490 15.782 -1.854 1.00 0.00 C ATOM 604 NH1 ARG A 42 -31.457 15.670 -2.755 1.00 0.00 N ATOM 605 NH2 ARG A 42 -30.322 16.927 -1.209 1.00 0.00 N ATOM 0 H ARG A 42 -25.396 11.086 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 42 -27.314 10.481 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.187 13.161 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.337 13.076 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.342 11.388 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -29.325 12.377 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.429 13.537 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -30.862 13.179 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 42 -28.962 14.865 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -31.591 14.790 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -32.067 16.464 -2.950 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -29.581 17.017 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -30.934 17.719 -1.407 1.00 0.00 H new ATOM 619 N SER A 43 -25.571 9.970 -3.369 1.00 0.00 N ATOM 620 CA SER A 43 -25.346 9.410 -4.697 1.00 0.00 C ATOM 621 C SER A 43 -25.864 7.978 -4.779 1.00 0.00 C ATOM 622 O SER A 43 -25.702 7.193 -3.844 1.00 0.00 O ATOM 623 CB SER A 43 -23.857 9.445 -5.048 1.00 0.00 C ATOM 624 OG SER A 43 -23.661 9.773 -6.414 1.00 0.00 O ATOM 0 H SER A 43 -24.839 9.759 -2.691 1.00 0.00 H new ATOM 0 HA SER A 43 -25.895 10.019 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 43 -23.349 10.176 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 43 -23.407 8.475 -4.836 1.00 0.00 H new ATOM 0 HG SER A 43 -22.701 9.790 -6.612 1.00 0.00 H new ATOM 630 N LYS A 44 -26.489 7.646 -5.903 1.00 0.00 N ATOM 631 CA LYS A 44 -27.035 6.310 -6.109 1.00 0.00 C ATOM 632 C LYS A 44 -25.944 5.248 -6.004 1.00 0.00 C ATOM 633 O LYS A 44 -25.092 5.136 -6.885 1.00 0.00 O ATOM 634 CB LYS A 44 -27.715 6.222 -7.475 1.00 0.00 C ATOM 635 CG LYS A 44 -26.954 6.935 -8.581 1.00 0.00 C ATOM 636 CD LYS A 44 -27.805 8.009 -9.238 1.00 0.00 C ATOM 637 CE LYS A 44 -28.558 7.463 -10.440 1.00 0.00 C ATOM 638 NZ LYS A 44 -28.905 6.023 -10.272 1.00 0.00 N ATOM 0 H LYS A 44 -26.630 8.284 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.772 6.124 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -27.834 5.173 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -28.716 6.648 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -26.050 7.386 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.637 6.211 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.515 8.407 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -27.170 8.838 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.470 8.041 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.950 7.588 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -29.623 5.755 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -28.053 5.442 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.282 5.866 -9.315 1.00 0.00 H new ATOM 652 N LYS A 45 -25.986 4.473 -4.920 1.00 0.00 N ATOM 653 CA LYS A 45 -25.012 3.407 -4.677 1.00 0.00 C ATOM 654 C LYS A 45 -23.823 3.503 -5.629 1.00 0.00 C ATOM 655 O LYS A 45 -23.932 3.170 -6.809 1.00 0.00 O ATOM 656 CB LYS A 45 -25.681 2.040 -4.823 1.00 0.00 C ATOM 657 CG LYS A 45 -26.556 1.923 -6.059 1.00 0.00 C ATOM 658 CD LYS A 45 -27.955 2.460 -5.804 1.00 0.00 C ATOM 659 CE LYS A 45 -28.833 2.333 -7.039 1.00 0.00 C ATOM 660 NZ LYS A 45 -28.443 1.169 -7.881 1.00 0.00 N ATOM 0 H LYS A 45 -26.692 4.565 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 45 -24.640 3.526 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -24.911 1.269 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.287 1.845 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.099 2.472 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.616 0.879 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -28.409 1.916 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.895 3.506 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -29.874 2.228 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.764 3.247 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.202 0.963 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.567 1.391 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.287 0.339 -7.275 1.00 0.00 H new ATOM 674 N THR A 46 -22.687 3.957 -5.111 1.00 0.00 N ATOM 675 CA THR A 46 -21.482 4.094 -5.921 1.00 0.00 C ATOM 676 C THR A 46 -20.299 3.379 -5.275 1.00 0.00 C ATOM 677 O THR A 46 -19.154 3.557 -5.693 1.00 0.00 O ATOM 678 CB THR A 46 -21.145 5.571 -6.123 1.00 0.00 C ATOM 679 OG1 THR A 46 -22.140 6.396 -5.543 1.00 0.00 O ATOM 680 CG2 THR A 46 -21.015 5.963 -7.579 1.00 0.00 C ATOM 0 H THR A 46 -22.575 4.236 -4.136 1.00 0.00 H new ATOM 0 HA THR A 46 -21.676 3.632 -6.889 1.00 0.00 H new ATOM 0 HB THR A 46 -20.180 5.715 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 46 -22.428 7.068 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.775 7.024 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.220 5.379 -8.043 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.956 5.769 -8.094 1.00 0.00 H new ATOM 688 N MET A 47 -20.576 2.577 -4.252 1.00 0.00 N ATOM 689 CA MET A 47 -19.522 1.847 -3.555 1.00 0.00 C ATOM 690 C MET A 47 -19.920 0.396 -3.291 1.00 0.00 C ATOM 691 O MET A 47 -19.064 -0.486 -3.230 1.00 0.00 O ATOM 692 CB MET A 47 -19.183 2.542 -2.234 1.00 0.00 C ATOM 693 CG MET A 47 -19.345 4.053 -2.281 1.00 0.00 C ATOM 694 SD MET A 47 -18.219 4.835 -3.453 1.00 0.00 S ATOM 695 CE MET A 47 -18.112 6.486 -2.767 1.00 0.00 C ATOM 0 H MET A 47 -21.515 2.416 -3.889 1.00 0.00 H new ATOM 0 HA MET A 47 -18.643 1.842 -4.200 1.00 0.00 H new ATOM 0 HB2 MET A 47 -19.823 2.141 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 47 -18.155 2.304 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 47 -20.372 4.296 -2.552 1.00 0.00 H new ATOM 0 HG3 MET A 47 -19.172 4.464 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 47 -17.900 7.198 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 47 -19.058 6.745 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 47 -17.313 6.521 -2.027 1.00 0.00 H new ATOM 705 N LEU A 48 -21.216 0.151 -3.132 1.00 0.00 N ATOM 706 CA LEU A 48 -21.704 -1.199 -2.870 1.00 0.00 C ATOM 707 C LEU A 48 -21.098 -1.744 -1.580 1.00 0.00 C ATOM 708 O LEU A 48 -20.501 -0.999 -0.803 1.00 0.00 O ATOM 709 CB LEU A 48 -21.360 -2.122 -4.044 1.00 0.00 C ATOM 710 CG LEU A 48 -22.353 -2.099 -5.212 1.00 0.00 C ATOM 711 CD1 LEU A 48 -23.325 -0.936 -5.074 1.00 0.00 C ATOM 712 CD2 LEU A 48 -21.609 -2.019 -6.536 1.00 0.00 C ATOM 0 H LEU A 48 -21.944 0.864 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.787 -1.160 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -20.375 -1.849 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -21.287 -3.144 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.928 -3.025 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -24.019 -0.941 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -23.882 -1.036 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -22.771 0.003 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.327 -2.003 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.009 -1.110 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.958 -2.887 -6.640 1.00 0.00 H new ATOM 724 N VAL A 49 -21.250 -3.046 -1.358 1.00 0.00 N ATOM 725 CA VAL A 49 -20.710 -3.683 -0.162 1.00 0.00 C ATOM 726 C VAL A 49 -19.595 -4.660 -0.519 1.00 0.00 C ATOM 727 O VAL A 49 -19.645 -5.321 -1.556 1.00 0.00 O ATOM 728 CB VAL A 49 -21.798 -4.437 0.626 1.00 0.00 C ATOM 729 CG1 VAL A 49 -21.782 -4.020 2.088 1.00 0.00 C ATOM 730 CG2 VAL A 49 -23.171 -4.203 0.013 1.00 0.00 C ATOM 0 H VAL A 49 -21.741 -3.679 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 49 -20.312 -2.884 0.463 1.00 0.00 H new ATOM 0 HB VAL A 49 -21.582 -5.504 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -22.557 -4.562 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.808 -4.249 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -21.969 -2.949 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.923 -4.745 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.400 -3.138 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.175 -4.558 -1.017 1.00 0.00 H new ATOM 740 N GLN A 50 -18.589 -4.744 0.345 1.00 0.00 N ATOM 741 CA GLN A 50 -17.462 -5.641 0.118 1.00 0.00 C ATOM 742 C GLN A 50 -17.543 -6.861 1.028 1.00 0.00 C ATOM 743 O GLN A 50 -18.017 -6.773 2.160 1.00 0.00 O ATOM 744 CB GLN A 50 -16.143 -4.904 0.354 1.00 0.00 C ATOM 745 CG GLN A 50 -14.975 -5.483 -0.426 1.00 0.00 C ATOM 746 CD GLN A 50 -13.751 -5.714 0.439 1.00 0.00 C ATOM 747 OE1 GLN A 50 -13.555 -4.854 1.433 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 -12.987 -6.653 0.215 1.00 0.00 N flip ATOM 0 H GLN A 50 -18.531 -4.203 1.208 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.504 -5.980 -0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -16.268 -3.856 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.907 -4.930 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.278 -6.427 -0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.717 -4.807 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.175 -7.290 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.166 -6.794 0.804 1.00 0.00 H new ATOM 757 N LYS A 51 -17.074 -7.999 0.525 1.00 0.00 N ATOM 758 CA LYS A 51 -17.090 -9.239 1.294 1.00 0.00 C ATOM 759 C LYS A 51 -15.741 -9.480 1.966 1.00 0.00 C ATOM 760 O LYS A 51 -14.737 -9.727 1.296 1.00 0.00 O ATOM 761 CB LYS A 51 -17.441 -10.420 0.387 1.00 0.00 C ATOM 762 CG LYS A 51 -18.896 -10.852 0.483 1.00 0.00 C ATOM 763 CD LYS A 51 -19.018 -12.319 0.864 1.00 0.00 C ATOM 764 CE LYS A 51 -19.955 -13.063 -0.074 1.00 0.00 C ATOM 765 NZ LYS A 51 -19.415 -13.132 -1.460 1.00 0.00 N ATOM 0 H LYS A 51 -16.678 -8.088 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.850 -9.148 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.218 -10.153 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.802 -11.266 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.411 -10.239 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.391 -10.681 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.033 -12.785 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.385 -12.401 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.119 -14.073 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.925 -12.566 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.857 -13.926 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.625 -12.244 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.385 -13.274 -1.425 1.00 0.00 H new ATOM 779 N ASN A 52 -15.725 -9.402 3.292 1.00 0.00 N ATOM 780 CA ASN A 52 -14.501 -9.608 4.060 1.00 0.00 C ATOM 781 C ASN A 52 -14.817 -9.761 5.543 1.00 0.00 C ATOM 782 O ASN A 52 -15.977 -9.692 5.949 1.00 0.00 O ATOM 783 CB ASN A 52 -13.545 -8.432 3.854 1.00 0.00 C ATOM 784 CG ASN A 52 -12.272 -8.831 3.132 1.00 0.00 C ATOM 785 OD1 ASN A 52 -11.878 -8.188 2.159 1.00 0.00 O ATOM 786 ND2 ASN A 52 -11.628 -9.895 3.606 1.00 0.00 N ATOM 0 H ASN A 52 -16.548 -9.197 3.859 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.025 -10.523 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.052 -7.653 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.289 -8.003 4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.995 -10.395 4.416 1.00 0.00 H new ATOM 791 N VAL A 53 -13.781 -9.963 6.351 1.00 0.00 N ATOM 792 CA VAL A 53 -13.959 -10.116 7.790 1.00 0.00 C ATOM 793 C VAL A 53 -13.251 -9.001 8.549 1.00 0.00 C ATOM 794 O VAL A 53 -12.325 -8.378 8.031 1.00 0.00 O ATOM 795 CB VAL A 53 -13.439 -11.481 8.285 1.00 0.00 C ATOM 796 CG1 VAL A 53 -11.967 -11.398 8.665 1.00 0.00 C ATOM 797 CG2 VAL A 53 -14.272 -11.974 9.459 1.00 0.00 C ATOM 0 H VAL A 53 -12.813 -10.024 6.035 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.030 -10.060 7.984 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.535 -12.198 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.625 -12.373 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.383 -11.096 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.838 -10.665 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.891 -12.938 9.796 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.211 -11.255 10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.311 -12.083 9.148 1.00 0.00 H new ATOM 807 N THR A 54 -13.697 -8.757 9.778 1.00 0.00 N ATOM 808 CA THR A 54 -13.115 -7.716 10.622 1.00 0.00 C ATOM 809 C THR A 54 -12.375 -6.675 9.788 1.00 0.00 C ATOM 810 O THR A 54 -11.198 -6.844 9.469 1.00 0.00 O ATOM 811 CB THR A 54 -12.162 -8.330 11.646 1.00 0.00 C ATOM 812 OG1 THR A 54 -12.833 -9.290 12.443 1.00 0.00 O ATOM 813 CG2 THR A 54 -11.547 -7.308 12.577 1.00 0.00 C ATOM 0 H THR A 54 -14.464 -9.269 10.214 1.00 0.00 H new ATOM 0 HA THR A 54 -13.932 -7.219 11.144 1.00 0.00 H new ATOM 0 HB THR A 54 -11.366 -8.791 11.061 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.206 -9.673 13.091 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.881 -7.810 13.279 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.980 -6.581 11.996 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.336 -6.796 13.128 1.00 0.00 H new ATOM 821 N SER A 55 -13.071 -5.600 9.438 1.00 0.00 N ATOM 822 CA SER A 55 -12.477 -4.535 8.641 1.00 0.00 C ATOM 823 C SER A 55 -12.130 -3.333 9.514 1.00 0.00 C ATOM 824 O SER A 55 -13.008 -2.571 9.917 1.00 0.00 O ATOM 825 CB SER A 55 -13.431 -4.111 7.524 1.00 0.00 C ATOM 826 OG SER A 55 -14.159 -2.952 7.888 1.00 0.00 O ATOM 0 H SER A 55 -14.046 -5.443 9.693 1.00 0.00 H new ATOM 0 HA SER A 55 -11.558 -4.917 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.866 -3.918 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.122 -4.924 7.304 1.00 0.00 H new ATOM 0 HG SER A 55 -14.215 -2.894 8.865 1.00 0.00 H new ATOM 832 N GLU A 56 -10.842 -3.171 9.800 1.00 0.00 N ATOM 833 CA GLU A 56 -10.373 -2.063 10.623 1.00 0.00 C ATOM 834 C GLU A 56 -9.260 -1.298 9.914 1.00 0.00 C ATOM 835 O GLU A 56 -9.434 -0.142 9.528 1.00 0.00 O ATOM 836 CB GLU A 56 -9.875 -2.581 11.976 1.00 0.00 C ATOM 837 CG GLU A 56 -10.121 -1.623 13.132 1.00 0.00 C ATOM 838 CD GLU A 56 -11.391 -0.811 12.964 1.00 0.00 C ATOM 839 OE1 GLU A 56 -12.488 -1.385 13.127 1.00 0.00 O ATOM 840 OE2 GLU A 56 -11.288 0.398 12.670 1.00 0.00 O ATOM 0 H GLU A 56 -10.104 -3.794 9.473 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.208 -1.383 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.365 -3.530 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.806 -2.783 11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.178 -2.190 14.061 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.272 -0.946 13.223 1.00 0.00 H new ATOM 847 N SER A 57 -8.117 -1.955 9.740 1.00 0.00 N ATOM 848 CA SER A 57 -6.975 -1.343 9.072 1.00 0.00 C ATOM 849 C SER A 57 -6.540 -2.185 7.875 1.00 0.00 C ATOM 850 O SER A 57 -7.267 -3.077 7.438 1.00 0.00 O ATOM 851 CB SER A 57 -5.811 -1.181 10.052 1.00 0.00 C ATOM 852 OG SER A 57 -5.456 -2.424 10.633 1.00 0.00 O ATOM 0 H SER A 57 -7.958 -2.913 10.053 1.00 0.00 H new ATOM 0 HA SER A 57 -7.273 -0.358 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.950 -0.760 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.087 -0.475 10.836 1.00 0.00 H new ATOM 0 HG SER A 57 -4.709 -2.293 11.254 1.00 0.00 H new ATOM 858 N THR A 58 -5.354 -1.898 7.348 1.00 0.00 N ATOM 859 CA THR A 58 -4.832 -2.634 6.202 1.00 0.00 C ATOM 860 C THR A 58 -3.360 -2.308 5.966 1.00 0.00 C ATOM 861 O THR A 58 -2.844 -1.312 6.474 1.00 0.00 O ATOM 862 CB THR A 58 -5.645 -2.312 4.945 1.00 0.00 C ATOM 863 OG1 THR A 58 -6.818 -1.591 5.277 1.00 0.00 O ATOM 864 CG2 THR A 58 -6.065 -3.545 4.173 1.00 0.00 C ATOM 0 H THR A 58 -4.738 -1.163 7.695 1.00 0.00 H new ATOM 0 HA THR A 58 -4.919 -3.699 6.420 1.00 0.00 H new ATOM 0 HB THR A 58 -4.982 -1.718 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.323 -1.394 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.637 -3.247 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.179 -4.097 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.681 -4.180 4.809 1.00 0.00 H new ATOM 872 N CYS A 59 -2.692 -3.155 5.188 1.00 0.00 N ATOM 873 CA CYS A 59 -1.279 -2.962 4.878 1.00 0.00 C ATOM 874 C CYS A 59 -0.858 -3.839 3.703 1.00 0.00 C ATOM 875 O CYS A 59 -1.117 -5.042 3.689 1.00 0.00 O ATOM 876 CB CYS A 59 -0.418 -3.277 6.103 1.00 0.00 C ATOM 877 SG CYS A 59 -0.222 -1.880 7.255 1.00 0.00 S ATOM 0 H CYS A 59 -3.107 -3.983 4.760 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.131 -1.918 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.861 -4.116 6.639 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.568 -3.598 5.768 1.00 0.00 H new ATOM 882 N CYS A 60 -0.213 -3.226 2.715 1.00 0.00 N ATOM 883 CA CYS A 60 0.237 -3.947 1.531 1.00 0.00 C ATOM 884 C CYS A 60 1.554 -4.674 1.787 1.00 0.00 C ATOM 885 O CYS A 60 2.460 -4.138 2.426 1.00 0.00 O ATOM 886 CB CYS A 60 0.396 -2.985 0.352 1.00 0.00 C ATOM 887 SG CYS A 60 -0.915 -1.723 0.235 1.00 0.00 S ATOM 0 H CYS A 60 0.010 -2.231 2.712 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.521 -4.692 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.361 -2.484 0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.414 -3.561 -0.573 1.00 0.00 H new ATOM 892 N VAL A 61 1.651 -5.896 1.275 1.00 0.00 N ATOM 893 CA VAL A 61 2.853 -6.706 1.431 1.00 0.00 C ATOM 894 C VAL A 61 3.276 -7.297 0.091 1.00 0.00 C ATOM 895 O VAL A 61 3.201 -8.508 -0.114 1.00 0.00 O ATOM 896 CB VAL A 61 2.634 -7.850 2.441 1.00 0.00 C ATOM 897 CG1 VAL A 61 1.580 -8.819 1.929 1.00 0.00 C ATOM 898 CG2 VAL A 61 3.942 -8.572 2.724 1.00 0.00 C ATOM 0 H VAL A 61 0.907 -6.349 0.745 1.00 0.00 H new ATOM 0 HA VAL A 61 3.639 -6.051 1.808 1.00 0.00 H new ATOM 0 HB VAL A 61 2.275 -7.420 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.439 -9.620 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.638 -8.289 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.906 -9.243 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.767 -9.376 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.335 -8.990 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.664 -7.868 3.139 1.00 0.00 H new ATOM 908 N ALA A 62 3.707 -6.423 -0.816 1.00 0.00 N ATOM 909 CA ALA A 62 4.136 -6.827 -2.153 1.00 0.00 C ATOM 910 C ALA A 62 3.681 -8.241 -2.500 1.00 0.00 C ATOM 911 O ALA A 62 4.250 -9.222 -2.022 1.00 0.00 O ATOM 912 CB ALA A 62 5.646 -6.715 -2.292 1.00 0.00 C ATOM 0 H ALA A 62 3.769 -5.419 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 62 3.661 -6.145 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.943 -7.021 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.951 -5.683 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.128 -7.361 -1.558 1.00 0.00 H new ATOM 918 N LYS A 63 2.669 -8.339 -3.356 1.00 0.00 N ATOM 919 CA LYS A 63 2.158 -9.629 -3.789 1.00 0.00 C ATOM 920 C LYS A 63 3.288 -10.437 -4.395 1.00 0.00 C ATOM 921 O LYS A 63 3.341 -11.661 -4.278 1.00 0.00 O ATOM 922 CB LYS A 63 1.057 -9.441 -4.827 1.00 0.00 C ATOM 923 CG LYS A 63 0.210 -10.683 -5.040 1.00 0.00 C ATOM 924 CD LYS A 63 -0.829 -10.473 -6.130 1.00 0.00 C ATOM 925 CE LYS A 63 -2.000 -11.428 -5.969 1.00 0.00 C ATOM 926 NZ LYS A 63 -2.909 -11.008 -4.868 1.00 0.00 N ATOM 0 H LYS A 63 2.188 -7.537 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 63 1.745 -10.155 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.412 -8.619 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.508 -9.151 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.854 -11.521 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.289 -10.948 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.189 -9.445 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.369 -10.620 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.559 -11.478 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.625 -12.432 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.777 -11.580 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.434 -11.147 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.152 -10.003 -4.983 1.00 0.00 H new ATOM 940 N SER A 64 4.198 -9.721 -5.037 1.00 0.00 N ATOM 941 CA SER A 64 5.354 -10.326 -5.668 1.00 0.00 C ATOM 942 C SER A 64 6.530 -9.366 -5.601 1.00 0.00 C ATOM 943 O SER A 64 6.468 -8.256 -6.126 1.00 0.00 O ATOM 944 CB SER A 64 5.049 -10.692 -7.122 1.00 0.00 C ATOM 945 OG SER A 64 4.078 -11.722 -7.197 1.00 0.00 O ATOM 0 H SER A 64 4.154 -8.707 -5.134 1.00 0.00 H new ATOM 0 HA SER A 64 5.606 -11.243 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.691 -9.811 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.964 -11.014 -7.619 1.00 0.00 H new ATOM 0 HG SER A 64 3.900 -11.936 -8.137 1.00 0.00 H new ATOM 951 N TYR A 65 7.590 -9.790 -4.934 1.00 0.00 N ATOM 952 CA TYR A 65 8.771 -8.956 -4.777 1.00 0.00 C ATOM 953 C TYR A 65 9.881 -9.384 -5.711 1.00 0.00 C ATOM 954 O TYR A 65 9.931 -10.530 -6.157 1.00 0.00 O ATOM 955 CB TYR A 65 9.279 -9.020 -3.338 1.00 0.00 C ATOM 956 CG TYR A 65 9.107 -10.370 -2.676 1.00 0.00 C ATOM 957 CD1 TYR A 65 7.852 -10.831 -2.300 1.00 0.00 C ATOM 958 CD2 TYR A 65 10.207 -11.180 -2.420 1.00 0.00 C ATOM 959 CE1 TYR A 65 7.697 -12.060 -1.687 1.00 0.00 C ATOM 960 CE2 TYR A 65 10.061 -12.410 -1.807 1.00 0.00 C ATOM 961 CZ TYR A 65 8.804 -12.846 -1.444 1.00 0.00 C ATOM 962 OH TYR A 65 8.654 -14.069 -0.832 1.00 0.00 O ATOM 0 H TYR A 65 7.658 -10.707 -4.492 1.00 0.00 H new ATOM 0 HA TYR A 65 8.482 -7.934 -5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.336 -8.755 -3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.755 -8.269 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.983 -10.219 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.193 -10.843 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.714 -12.403 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.926 -13.026 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 65 9.531 -14.496 -0.735 1.00 0.00 H new ATOM 972 N ASN A 66 10.802 -8.467 -5.959 1.00 0.00 N ATOM 973 CA ASN A 66 11.949 -8.768 -6.795 1.00 0.00 C ATOM 974 C ASN A 66 13.182 -8.426 -6.007 1.00 0.00 C ATOM 975 O ASN A 66 14.236 -8.082 -6.539 1.00 0.00 O ATOM 976 CB ASN A 66 11.907 -8.001 -8.109 1.00 0.00 C ATOM 977 CG ASN A 66 11.766 -8.911 -9.312 1.00 0.00 C ATOM 978 OD1 ASN A 66 10.845 -9.725 -9.387 1.00 0.00 O ATOM 979 ND2 ASN A 66 12.682 -8.774 -10.264 1.00 0.00 N ATOM 0 H ASN A 66 10.777 -7.514 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 66 11.946 -9.825 -7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.073 -7.300 -8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.818 -7.411 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.640 -9.357 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.428 -8.086 -10.159 1.00 0.00 H new ATOM 986 N ARG A 67 12.984 -8.534 -4.713 1.00 0.00 N ATOM 987 CA ARG A 67 13.995 -8.259 -3.712 1.00 0.00 C ATOM 988 C ARG A 67 15.355 -8.000 -4.332 1.00 0.00 C ATOM 989 O ARG A 67 15.878 -8.810 -5.098 1.00 0.00 O ATOM 990 CB ARG A 67 14.073 -9.421 -2.733 1.00 0.00 C ATOM 991 CG ARG A 67 14.107 -8.996 -1.276 1.00 0.00 C ATOM 992 CD ARG A 67 14.894 -9.984 -0.430 1.00 0.00 C ATOM 993 NE ARG A 67 16.250 -10.185 -0.937 1.00 0.00 N ATOM 994 CZ ARG A 67 16.907 -11.340 -0.853 1.00 0.00 C ATOM 995 NH1 ARG A 67 16.336 -12.393 -0.285 1.00 0.00 N ATOM 996 NH2 ARG A 67 18.136 -11.441 -1.339 1.00 0.00 N ATOM 0 H ARG A 67 12.091 -8.824 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 67 13.705 -7.351 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.215 -10.075 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 67 14.965 -10.008 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.556 -8.006 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.089 -8.917 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.942 -9.623 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.370 -10.940 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 67 16.720 -9.396 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.390 -12.320 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.843 -13.276 -0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.579 -10.634 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.639 -12.326 -1.274 1.00 0.00 H new ATOM 1010 N VAL A 68 15.922 -6.865 -3.971 1.00 0.00 N ATOM 1011 CA VAL A 68 17.232 -6.466 -4.456 1.00 0.00 C ATOM 1012 C VAL A 68 18.093 -6.023 -3.293 1.00 0.00 C ATOM 1013 O VAL A 68 18.790 -5.011 -3.367 1.00 0.00 O ATOM 1014 CB VAL A 68 17.151 -5.323 -5.493 1.00 0.00 C ATOM 1015 CG1 VAL A 68 16.135 -5.641 -6.582 1.00 0.00 C ATOM 1016 CG2 VAL A 68 16.814 -3.999 -4.817 1.00 0.00 C ATOM 0 H VAL A 68 15.490 -6.194 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 68 17.672 -7.332 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 68 18.131 -5.229 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.099 -4.819 -7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.427 -6.557 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.151 -5.774 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.763 -3.210 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.852 -4.083 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.586 -3.756 -4.087 1.00 0.00 H new ATOM 1026 N THR A 69 18.022 -6.791 -2.212 1.00 0.00 N ATOM 1027 CA THR A 69 18.775 -6.491 -1.004 1.00 0.00 C ATOM 1028 C THR A 69 19.915 -5.539 -1.307 1.00 0.00 C ATOM 1029 O THR A 69 20.804 -5.840 -2.104 1.00 0.00 O ATOM 1030 CB THR A 69 19.317 -7.759 -0.356 1.00 0.00 C ATOM 1031 OG1 THR A 69 18.261 -8.557 0.147 1.00 0.00 O ATOM 1032 CG2 THR A 69 20.261 -7.464 0.787 1.00 0.00 C ATOM 0 H THR A 69 17.446 -7.631 -2.149 1.00 0.00 H new ATOM 0 HA THR A 69 18.090 -6.015 -0.302 1.00 0.00 H new ATOM 0 HB THR A 69 19.861 -8.288 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.750 -8.044 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.619 -8.401 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.109 -6.886 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.737 -6.892 1.553 1.00 0.00 H new ATOM 1040 N VAL A 70 19.861 -4.378 -0.687 1.00 0.00 N ATOM 1041 CA VAL A 70 20.864 -3.356 -0.902 1.00 0.00 C ATOM 1042 C VAL A 70 21.439 -2.848 0.413 1.00 0.00 C ATOM 1043 O VAL A 70 21.133 -3.369 1.486 1.00 0.00 O ATOM 1044 CB VAL A 70 20.273 -2.176 -1.696 1.00 0.00 C ATOM 1045 CG1 VAL A 70 20.946 -2.061 -3.055 1.00 0.00 C ATOM 1046 CG2 VAL A 70 18.767 -2.341 -1.853 1.00 0.00 C ATOM 0 H VAL A 70 19.129 -4.118 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 70 21.671 -3.811 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 70 20.460 -1.256 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.517 -1.222 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 70 22.015 -1.897 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.789 -2.981 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.365 -1.499 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.556 -3.268 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 70 18.300 -2.375 -0.869 1.00 0.00 H new ATOM 1056 N MET A 71 22.280 -1.831 0.312 1.00 0.00 N ATOM 1057 CA MET A 71 22.923 -1.236 1.479 1.00 0.00 C ATOM 1058 C MET A 71 23.510 -2.300 2.385 1.00 0.00 C ATOM 1059 O MET A 71 24.236 -3.189 1.940 1.00 0.00 O ATOM 1060 CB MET A 71 21.935 -0.387 2.275 1.00 0.00 C ATOM 1061 CG MET A 71 21.228 0.647 1.441 1.00 0.00 C ATOM 1062 SD MET A 71 21.546 2.333 1.999 1.00 0.00 S ATOM 1063 CE MET A 71 20.972 2.248 3.694 1.00 0.00 C ATOM 0 H MET A 71 22.537 -1.395 -0.574 1.00 0.00 H new ATOM 0 HA MET A 71 23.728 -0.600 1.112 1.00 0.00 H new ATOM 0 HB2 MET A 71 21.194 -1.041 2.735 1.00 0.00 H new ATOM 0 HB3 MET A 71 22.467 0.112 3.085 1.00 0.00 H new ATOM 0 HG2 MET A 71 21.544 0.547 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 71 20.155 0.457 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 71 21.383 3.084 4.260 1.00 0.00 H new ATOM 0 HE2 MET A 71 19.883 2.298 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 71 21.300 1.310 4.143 1.00 0.00 H new ATOM 1073 N GLY A 72 23.194 -2.189 3.666 1.00 0.00 N ATOM 1074 CA GLY A 72 23.694 -3.125 4.635 1.00 0.00 C ATOM 1075 C GLY A 72 22.878 -4.401 4.703 1.00 0.00 C ATOM 1076 O GLY A 72 22.927 -5.123 5.699 1.00 0.00 O ATOM 0 H GLY A 72 22.594 -1.458 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 72 24.727 -3.374 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 23.702 -2.653 5.617 1.00 0.00 H new ATOM 1080 N GLY A 73 22.126 -4.681 3.644 1.00 0.00 N ATOM 1081 CA GLY A 73 21.310 -5.879 3.613 1.00 0.00 C ATOM 1082 C GLY A 73 19.827 -5.569 3.586 1.00 0.00 C ATOM 1083 O GLY A 73 19.007 -6.394 3.988 1.00 0.00 O ATOM 0 H GLY A 73 22.067 -4.100 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.571 -6.470 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.534 -6.491 4.487 1.00 0.00 H new ATOM 1087 N PHE A 74 19.481 -4.378 3.107 1.00 0.00 N ATOM 1088 CA PHE A 74 18.085 -3.968 3.027 1.00 0.00 C ATOM 1089 C PHE A 74 17.294 -4.939 2.164 1.00 0.00 C ATOM 1090 O PHE A 74 17.824 -5.952 1.710 1.00 0.00 O ATOM 1091 CB PHE A 74 17.973 -2.549 2.465 1.00 0.00 C ATOM 1092 CG PHE A 74 18.342 -1.484 3.458 1.00 0.00 C ATOM 1093 CD1 PHE A 74 19.439 -1.646 4.289 1.00 0.00 C ATOM 1094 CD2 PHE A 74 17.592 -0.323 3.563 1.00 0.00 C ATOM 1095 CE1 PHE A 74 19.781 -0.672 5.206 1.00 0.00 C ATOM 1096 CE2 PHE A 74 17.930 0.655 4.478 1.00 0.00 C ATOM 1097 CZ PHE A 74 19.026 0.481 5.302 1.00 0.00 C ATOM 0 H PHE A 74 20.146 -3.683 2.770 1.00 0.00 H new ATOM 0 HA PHE A 74 17.668 -3.977 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 74 18.618 -2.460 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 74 16.951 -2.380 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 74 20.034 -2.545 4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 74 16.734 -0.182 2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 74 20.638 -0.811 5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 74 17.338 1.555 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 74 19.291 1.244 6.019 1.00 0.00 H new ATOM 1107 N LYS A 75 16.022 -4.634 1.949 1.00 0.00 N ATOM 1108 CA LYS A 75 15.168 -5.497 1.144 1.00 0.00 C ATOM 1109 C LYS A 75 13.925 -4.764 0.652 1.00 0.00 C ATOM 1110 O LYS A 75 12.940 -4.632 1.379 1.00 0.00 O ATOM 1111 CB LYS A 75 14.752 -6.733 1.946 1.00 0.00 C ATOM 1112 CG LYS A 75 15.409 -6.827 3.313 1.00 0.00 C ATOM 1113 CD LYS A 75 15.103 -5.606 4.165 1.00 0.00 C ATOM 1114 CE LYS A 75 14.852 -5.986 5.615 1.00 0.00 C ATOM 1115 NZ LYS A 75 15.932 -5.491 6.513 1.00 0.00 N ATOM 0 H LYS A 75 15.561 -3.802 2.317 1.00 0.00 H new ATOM 0 HA LYS A 75 15.747 -5.804 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.669 -6.725 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.999 -7.627 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.061 -7.725 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.488 -6.927 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.936 -4.905 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.228 -5.093 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.895 -5.576 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.778 -7.070 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.724 -5.770 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.842 -5.902 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.986 -4.454 6.453 1.00 0.00 H new ATOM 1129 N VAL A 76 13.969 -4.317 -0.598 1.00 0.00 N ATOM 1130 CA VAL A 76 12.838 -3.626 -1.211 1.00 0.00 C ATOM 1131 C VAL A 76 11.950 -4.622 -1.880 1.00 0.00 C ATOM 1132 O VAL A 76 11.088 -4.266 -2.684 1.00 0.00 O ATOM 1133 CB VAL A 76 13.307 -2.631 -2.291 1.00 0.00 C ATOM 1134 CG1 VAL A 76 14.052 -1.466 -1.655 1.00 0.00 C ATOM 1135 CG2 VAL A 76 14.207 -3.395 -3.253 1.00 0.00 C ATOM 0 H VAL A 76 14.779 -4.421 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 76 12.313 -3.089 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 76 12.455 -2.212 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.376 -0.774 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.392 -0.948 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.923 -1.841 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.560 -2.721 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.061 -3.799 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.645 -4.212 -3.705 1.00 0.00 H new ATOM 1145 N GLU A 77 12.202 -5.874 -1.567 1.00 0.00 N ATOM 1146 CA GLU A 77 11.458 -6.963 -2.179 1.00 0.00 C ATOM 1147 C GLU A 77 11.016 -6.458 -3.533 1.00 0.00 C ATOM 1148 O GLU A 77 9.873 -6.635 -3.946 1.00 0.00 O ATOM 1149 CB GLU A 77 10.252 -7.344 -1.314 1.00 0.00 C ATOM 1150 CG GLU A 77 10.119 -6.509 -0.054 1.00 0.00 C ATOM 1151 CD GLU A 77 10.998 -7.010 1.076 1.00 0.00 C ATOM 1152 OE1 GLU A 77 12.109 -7.505 0.791 1.00 0.00 O ATOM 1153 OE2 GLU A 77 10.574 -6.908 2.247 1.00 0.00 O ATOM 0 H GLU A 77 12.912 -6.167 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 77 12.069 -7.861 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.343 -7.239 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.332 -8.395 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.379 -5.475 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.079 -6.513 0.271 1.00 0.00 H new ATOM 1160 N ASN A 78 11.952 -5.742 -4.161 1.00 0.00 N ATOM 1161 CA ASN A 78 11.723 -5.067 -5.421 1.00 0.00 C ATOM 1162 C ASN A 78 10.323 -5.369 -5.894 1.00 0.00 C ATOM 1163 O ASN A 78 10.099 -6.104 -6.853 1.00 0.00 O ATOM 1164 CB ASN A 78 12.749 -5.401 -6.484 1.00 0.00 C ATOM 1165 CG ASN A 78 12.619 -4.404 -7.605 1.00 0.00 C ATOM 1166 OD1 ASN A 78 12.700 -3.198 -7.381 1.00 0.00 O ATOM 1167 ND2 ASN A 78 12.414 -4.889 -8.808 1.00 0.00 N ATOM 0 H ASN A 78 12.897 -5.619 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 78 11.835 -3.997 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.754 -5.369 -6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.592 -6.413 -6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.354 -5.898 -8.948 1.00 0.00 H new ATOM 1172 N HIS A 79 9.390 -4.824 -5.144 1.00 0.00 N ATOM 1173 CA HIS A 79 7.976 -5.031 -5.369 1.00 0.00 C ATOM 1174 C HIS A 79 7.576 -5.059 -6.821 1.00 0.00 C ATOM 1175 O HIS A 79 7.735 -4.101 -7.572 1.00 0.00 O ATOM 1176 CB HIS A 79 7.169 -3.994 -4.612 1.00 0.00 C ATOM 1177 CG HIS A 79 7.400 -4.112 -3.158 1.00 0.00 C ATOM 1178 ND1 HIS A 79 6.805 -3.332 -2.206 1.00 0.00 N ATOM 1179 CD2 HIS A 79 8.230 -4.948 -2.508 1.00 0.00 C ATOM 1180 CE1 HIS A 79 7.293 -3.703 -1.015 1.00 0.00 C ATOM 1181 NE2 HIS A 79 8.164 -4.689 -1.143 1.00 0.00 N ATOM 0 H HIS A 79 9.595 -4.217 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 79 7.754 -6.028 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.444 -2.995 -4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.108 -4.122 -4.828 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.114 -2.600 -2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.849 -5.701 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.012 -3.255 -0.073 1.00 0.00 H new ATOM 1189 N THR A 80 7.006 -6.179 -7.177 1.00 0.00 N ATOM 1190 CA THR A 80 6.499 -6.397 -8.517 1.00 0.00 C ATOM 1191 C THR A 80 4.984 -6.391 -8.463 1.00 0.00 C ATOM 1192 O THR A 80 4.301 -6.205 -9.471 1.00 0.00 O ATOM 1193 CB THR A 80 7.023 -7.714 -9.067 1.00 0.00 C ATOM 1194 OG1 THR A 80 6.184 -8.792 -8.692 1.00 0.00 O ATOM 1195 CG2 THR A 80 8.415 -8.015 -8.577 1.00 0.00 C ATOM 0 H THR A 80 6.877 -6.972 -6.548 1.00 0.00 H new ATOM 0 HA THR A 80 6.839 -5.604 -9.184 1.00 0.00 H new ATOM 0 HB THR A 80 7.037 -7.606 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.446 -9.597 -9.185 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.750 -8.965 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.092 -7.221 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.412 -8.078 -7.489 1.00 0.00 H new ATOM 1203 N ALA A 81 4.477 -6.579 -7.251 1.00 0.00 N ATOM 1204 CA ALA A 81 3.045 -6.582 -6.997 1.00 0.00 C ATOM 1205 C ALA A 81 2.783 -6.283 -5.526 1.00 0.00 C ATOM 1206 O ALA A 81 3.583 -6.651 -4.670 1.00 0.00 O ATOM 1207 CB ALA A 81 2.439 -7.917 -7.396 1.00 0.00 C ATOM 0 H ALA A 81 5.047 -6.733 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 81 2.573 -5.806 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.367 -7.903 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.611 -8.092 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.904 -8.715 -6.817 1.00 0.00 H new ATOM 1213 N CYS A 82 1.673 -5.610 -5.231 1.00 0.00 N ATOM 1214 CA CYS A 82 1.338 -5.267 -3.850 1.00 0.00 C ATOM 1215 C CYS A 82 -0.126 -5.575 -3.540 1.00 0.00 C ATOM 1216 O CYS A 82 -1.008 -5.333 -4.363 1.00 0.00 O ATOM 1217 CB CYS A 82 1.633 -3.788 -3.581 1.00 0.00 C ATOM 1218 SG CYS A 82 3.254 -3.483 -2.802 1.00 0.00 S ATOM 0 H CYS A 82 0.995 -5.293 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 82 1.958 -5.879 -3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.586 -3.242 -4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.851 -3.383 -2.938 1.00 0.00 H new ATOM 1223 N HIS A 83 -0.375 -6.111 -2.347 1.00 0.00 N ATOM 1224 CA HIS A 83 -1.732 -6.453 -1.928 1.00 0.00 C ATOM 1225 C HIS A 83 -1.986 -6.028 -0.481 1.00 0.00 C ATOM 1226 O HIS A 83 -1.412 -6.591 0.451 1.00 0.00 O ATOM 1227 CB HIS A 83 -1.971 -7.957 -2.078 1.00 0.00 C ATOM 1228 CG HIS A 83 -0.959 -8.801 -1.368 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -1.301 -9.850 -0.540 1.00 0.00 N ATOM 1230 CD2 HIS A 83 0.395 -8.751 -1.368 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -0.203 -10.406 -0.061 1.00 0.00 C ATOM 1232 NE2 HIS A 83 0.839 -9.759 -0.549 1.00 0.00 N ATOM 0 H HIS A 83 0.345 -6.318 -1.654 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.427 -5.913 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.963 -8.198 -1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.965 -8.213 -3.138 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.010 -8.049 -1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.164 -11.247 0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.816 -9.973 -0.350 1.00 0.00 H new ATOM 1241 N CYS A 84 -2.852 -5.032 -0.304 1.00 0.00 N ATOM 1242 CA CYS A 84 -3.189 -4.529 1.027 1.00 0.00 C ATOM 1243 C CYS A 84 -3.884 -5.605 1.857 1.00 0.00 C ATOM 1244 O CYS A 84 -4.757 -6.318 1.362 1.00 0.00 O ATOM 1245 CB CYS A 84 -4.093 -3.298 0.917 1.00 0.00 C ATOM 1246 SG CYS A 84 -3.692 -1.966 2.096 1.00 0.00 S ATOM 0 H CYS A 84 -3.334 -4.556 -1.067 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.261 -4.250 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.027 -2.902 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.127 -3.606 1.072 1.00 0.00 H new ATOM 1251 N SER A 85 -3.490 -5.713 3.121 1.00 0.00 N ATOM 1252 CA SER A 85 -4.074 -6.698 4.025 1.00 0.00 C ATOM 1253 C SER A 85 -3.696 -6.394 5.472 1.00 0.00 C ATOM 1254 O SER A 85 -2.861 -5.529 5.736 1.00 0.00 O ATOM 1255 CB SER A 85 -3.615 -8.108 3.647 1.00 0.00 C ATOM 1256 OG SER A 85 -4.316 -8.585 2.511 1.00 0.00 O ATOM 0 H SER A 85 -2.768 -5.130 3.544 1.00 0.00 H new ATOM 0 HA SER A 85 -5.159 -6.644 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.544 -8.103 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.775 -8.784 4.487 1.00 0.00 H new ATOM 0 HG SER A 85 -4.863 -7.863 2.137 1.00 0.00 H new ATOM 1262 N THR A 86 -4.321 -7.108 6.403 1.00 0.00 N ATOM 1263 CA THR A 86 -4.058 -6.914 7.826 1.00 0.00 C ATOM 1264 C THR A 86 -2.619 -6.465 8.065 1.00 0.00 C ATOM 1265 O THR A 86 -1.706 -6.861 7.340 1.00 0.00 O ATOM 1266 CB THR A 86 -4.335 -8.204 8.599 1.00 0.00 C ATOM 1267 OG1 THR A 86 -4.762 -9.233 7.721 1.00 0.00 O ATOM 1268 CG2 THR A 86 -5.390 -8.040 9.673 1.00 0.00 C ATOM 0 H THR A 86 -5.014 -7.827 6.198 1.00 0.00 H new ATOM 0 HA THR A 86 -4.726 -6.131 8.185 1.00 0.00 H new ATOM 0 HB THR A 86 -3.392 -8.466 9.079 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.933 -10.051 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.540 -8.991 10.184 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.063 -7.289 10.392 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.327 -7.722 9.217 1.00 0.00 H new ATOM 1276 N CYS A 87 -2.427 -5.636 9.086 1.00 0.00 N ATOM 1277 CA CYS A 87 -1.102 -5.128 9.423 1.00 0.00 C ATOM 1278 C CYS A 87 -0.583 -5.764 10.707 1.00 0.00 C ATOM 1279 O CYS A 87 -1.270 -6.567 11.339 1.00 0.00 O ATOM 1280 CB CYS A 87 -1.138 -3.607 9.576 1.00 0.00 C ATOM 1281 SG CYS A 87 0.365 -2.763 8.986 1.00 0.00 S ATOM 0 H CYS A 87 -3.173 -5.301 9.695 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.426 -5.390 8.609 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.998 -3.218 9.030 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.290 -3.362 10.627 1.00 0.00 H new ATOM 1286 N TYR A 88 0.636 -5.397 11.086 1.00 0.00 N ATOM 1287 CA TYR A 88 1.257 -5.927 12.293 1.00 0.00 C ATOM 1288 C TYR A 88 2.467 -5.087 12.690 1.00 0.00 C ATOM 1289 O TYR A 88 3.591 -5.365 12.274 1.00 0.00 O ATOM 1290 CB TYR A 88 1.681 -7.381 12.081 1.00 0.00 C ATOM 1291 CG TYR A 88 1.189 -7.978 10.780 1.00 0.00 C ATOM 1292 CD1 TYR A 88 1.469 -7.368 9.564 1.00 0.00 C ATOM 1293 CD2 TYR A 88 0.444 -9.150 10.771 1.00 0.00 C ATOM 1294 CE1 TYR A 88 1.020 -7.910 8.374 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -0.008 -9.699 9.585 1.00 0.00 C ATOM 1296 CZ TYR A 88 0.283 -9.075 8.390 1.00 0.00 C ATOM 1297 OH TYR A 88 -0.165 -9.617 7.206 1.00 0.00 O ATOM 0 H TYR A 88 1.215 -4.732 10.573 1.00 0.00 H new ATOM 0 HA TYR A 88 0.523 -5.886 13.098 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.769 -7.440 12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.308 -7.983 12.910 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.047 -6.456 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.214 -9.641 11.705 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.245 -7.423 7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.586 -10.611 9.594 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.668 -10.438 7.391 1.00 0.00 H new ATOM 1307 N TYR A 89 2.227 -4.057 13.495 1.00 0.00 N ATOM 1308 CA TYR A 89 3.296 -3.175 13.947 1.00 0.00 C ATOM 1309 C TYR A 89 4.126 -2.678 12.767 1.00 0.00 C ATOM 1310 O TYR A 89 5.117 -3.301 12.387 1.00 0.00 O ATOM 1311 CB TYR A 89 4.196 -3.900 14.951 1.00 0.00 C ATOM 1312 CG TYR A 89 4.079 -3.365 16.360 1.00 0.00 C ATOM 1313 CD1 TYR A 89 4.583 -2.114 16.694 1.00 0.00 C ATOM 1314 CD2 TYR A 89 3.462 -4.111 17.356 1.00 0.00 C ATOM 1315 CE1 TYR A 89 4.474 -1.621 17.981 1.00 0.00 C ATOM 1316 CE2 TYR A 89 3.350 -3.625 18.646 1.00 0.00 C ATOM 1317 CZ TYR A 89 3.857 -2.381 18.952 1.00 0.00 C ATOM 1318 OH TYR A 89 3.745 -1.894 20.235 1.00 0.00 O ATOM 0 H TYR A 89 1.301 -3.813 13.848 1.00 0.00 H new ATOM 0 HA TYR A 89 2.840 -2.314 14.436 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.946 -4.961 14.951 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.232 -3.817 14.624 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.068 -1.517 15.936 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.063 -5.086 17.119 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.870 -0.646 18.224 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.868 -4.217 19.409 1.00 0.00 H new ATOM 0 HH TYR A 89 3.284 -2.552 20.796 1.00 0.00 H new ATOM 1328 N HIS A 90 3.714 -1.553 12.192 1.00 0.00 N ATOM 1329 CA HIS A 90 4.419 -0.975 11.054 1.00 0.00 C ATOM 1330 C HIS A 90 3.670 0.238 10.511 1.00 0.00 C ATOM 1331 O HIS A 90 3.328 0.291 9.330 1.00 0.00 O ATOM 1332 CB HIS A 90 4.590 -2.019 9.949 1.00 0.00 C ATOM 1333 CG HIS A 90 5.986 -2.550 9.837 1.00 0.00 C ATOM 1334 ND1 HIS A 90 6.331 -3.597 9.007 1.00 0.00 N ATOM 1335 CD2 HIS A 90 7.131 -2.173 10.457 1.00 0.00 C ATOM 1336 CE1 HIS A 90 7.624 -3.841 9.122 1.00 0.00 C ATOM 1337 NE2 HIS A 90 8.132 -2.991 9.995 1.00 0.00 N ATOM 0 H HIS A 90 2.896 -1.024 12.495 1.00 0.00 H new ATOM 0 HA HIS A 90 5.403 -0.651 11.394 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.908 -2.849 10.136 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.301 -1.577 8.995 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.236 -1.377 11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.172 -4.606 8.592 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.110 -2.949 10.280 1.00 0.00 H new ATOM 1346 N LYS A 91 3.419 1.211 11.381 1.00 0.00 N ATOM 1347 CA LYS A 91 2.711 2.423 10.986 1.00 0.00 C ATOM 1348 C LYS A 91 3.243 2.956 9.661 1.00 0.00 C ATOM 1349 O LYS A 91 4.321 3.550 9.607 1.00 0.00 O ATOM 1350 CB LYS A 91 2.843 3.495 12.068 1.00 0.00 C ATOM 1351 CG LYS A 91 1.538 3.804 12.784 1.00 0.00 C ATOM 1352 CD LYS A 91 0.593 4.608 11.903 1.00 0.00 C ATOM 1353 CE LYS A 91 1.164 5.977 11.569 1.00 0.00 C ATOM 1354 NZ LYS A 91 0.281 6.733 10.637 1.00 0.00 N ATOM 0 H LYS A 91 3.695 1.184 12.363 1.00 0.00 H new ATOM 0 HA LYS A 91 1.658 2.172 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.581 3.170 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.225 4.410 11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.056 2.873 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.746 4.360 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.400 4.059 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.365 4.727 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.298 6.549 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.150 5.860 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.704 7.661 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.174 6.199 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.652 6.867 11.075 1.00 0.00 H new ATOM 1368 N SER A 92 2.482 2.740 8.594 1.00 0.00 N ATOM 1369 CA SER A 92 2.877 3.198 7.269 1.00 0.00 C ATOM 1370 C SER A 92 1.848 4.170 6.701 1.00 0.00 C ATOM 1371 O SER A 92 1.588 4.109 5.481 1.00 0.00 O ATOM 1372 CB SER A 92 3.043 2.007 6.325 1.00 0.00 C ATOM 1373 OG SER A 92 1.790 1.419 6.021 1.00 0.00 O ATOM 1374 OXT SER A 92 1.310 4.984 7.482 1.00 0.00 O ATOM 0 H SER A 92 1.588 2.250 8.622 1.00 0.00 H new ATOM 0 HA SER A 92 3.831 3.718 7.360 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.528 2.333 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.695 1.264 6.783 1.00 0.00 H new ATOM 0 HG SER A 92 1.923 0.661 5.414 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -10.390 -10.341 2.992 1.00 0.00 C HETATM 1382 C2 NAG A1052 -10.559 -11.773 2.498 1.00 0.00 C HETATM 1383 C3 NAG A1052 -9.286 -12.246 1.812 1.00 0.00 C HETATM 1384 C4 NAG A1052 -8.875 -11.264 0.732 1.00 0.00 C HETATM 1385 C5 NAG A1052 -8.790 -9.851 1.292 1.00 0.00 C HETATM 1386 C6 NAG A1052 -8.509 -8.820 0.218 1.00 0.00 C HETATM 1387 C7 NAG A1052 -11.175 -13.911 3.444 1.00 0.00 C HETATM 1388 C8 NAG A1052 -11.467 -14.744 4.681 1.00 0.00 C HETATM 1389 N2 NAG A1052 -10.853 -12.634 3.631 1.00 0.00 N HETATM 1390 O3 NAG A1052 -9.508 -13.516 1.220 1.00 0.00 O HETATM 1391 O4 NAG A1052 -7.603 -11.638 0.224 1.00 0.00 O HETATM 1392 O5 NAG A1052 -10.030 -9.469 1.914 1.00 0.00 O HETATM 1393 O6 NAG A1052 -9.540 -8.801 -0.758 1.00 0.00 O HETATM 1394 O7 NAG A1052 -11.251 -14.426 2.330 1.00 0.00 O HETATM 0 HO6 NAG A1052 -10.405 -8.957 -0.324 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -7.471 -11.232 -0.658 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -10.455 -13.754 1.302 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -10.812 -12.256 4.578 1.00 0.00 H new HETATM 0 H83 NAG A1052 -10.588 -14.758 5.326 1.00 0.00 H new HETATM 0 H82 NAG A1052 -12.307 -14.309 5.222 1.00 0.00 H new HETATM 0 H81 NAG A1052 -11.715 -15.763 4.383 1.00 0.00 H new HETATM 0 H62 NAG A1052 -8.417 -7.834 0.672 1.00 0.00 H new HETATM 0 H61 NAG A1052 -7.555 -9.041 -0.261 1.00 0.00 H new HETATM 0 H5 NAG A1052 -7.972 -9.871 2.012 1.00 0.00 H new HETATM 0 H4 NAG A1052 -9.622 -11.283 -0.061 1.00 0.00 H new HETATM 0 H3 NAG A1052 -8.493 -12.315 2.557 1.00 0.00 H new HETATM 0 H2 NAG A1052 -11.378 -11.813 1.780 1.00 0.00 H new HETATM 1404 C1 NAG A1078 12.142 -3.986 -9.895 1.00 0.00 C HETATM 1405 C2 NAG A1078 13.238 -4.087 -10.949 1.00 0.00 C HETATM 1406 C3 NAG A1078 12.906 -3.213 -12.146 1.00 0.00 C HETATM 1407 C4 NAG A1078 11.517 -3.531 -12.663 1.00 0.00 C HETATM 1408 C5 NAG A1078 10.496 -3.453 -11.539 1.00 0.00 C HETATM 1409 C6 NAG A1078 9.113 -3.882 -11.983 1.00 0.00 C HETATM 1410 C7 NAG A1078 15.536 -4.461 -10.332 1.00 0.00 C HETATM 1411 C8 NAG A1078 16.817 -3.909 -9.733 1.00 0.00 C HETATM 1412 N2 NAG A1078 14.492 -3.644 -10.378 1.00 0.00 N HETATM 1413 O3 NAG A1078 13.853 -3.450 -13.176 1.00 0.00 O HETATM 1414 O4 NAG A1078 11.172 -2.594 -13.674 1.00 0.00 O HETATM 1415 O5 NAG A1078 10.862 -4.313 -10.454 1.00 0.00 O HETATM 1416 O6 NAG A1078 9.134 -5.185 -12.547 1.00 0.00 O HETATM 1417 O7 NAG A1078 15.500 -5.619 -10.749 1.00 0.00 O HETATM 0 HO6 NAG A1078 8.228 -5.437 -12.823 1.00 0.00 H new HETATM 0 HO4 NAG A1078 10.450 -2.960 -14.227 1.00 0.00 H new HETATM 0 HO3 NAG A1078 14.372 -2.635 -13.337 1.00 0.00 H new HETATM 0 HN2 NAG A1078 14.574 -2.697 -10.008 1.00 0.00 H new HETATM 0 H83 NAG A1078 17.146 -3.046 -10.311 1.00 0.00 H new HETATM 0 H82 NAG A1078 16.636 -3.607 -8.701 1.00 0.00 H new HETATM 0 H81 NAG A1078 17.590 -4.677 -9.756 1.00 0.00 H new HETATM 0 H62 NAG A1078 8.433 -3.863 -11.131 1.00 0.00 H new HETATM 0 H61 NAG A1078 8.727 -3.173 -12.715 1.00 0.00 H new HETATM 0 H5 NAG A1078 10.480 -2.407 -11.232 1.00 0.00 H new HETATM 0 H4 NAG A1078 11.515 -4.543 -13.068 1.00 0.00 H new HETATM 0 H3 NAG A1078 12.939 -2.167 -11.840 1.00 0.00 H new HETATM 0 H2 NAG A1078 13.316 -5.124 -11.275 1.00 0.00 H new