USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 63 THR OG1 : rot 119:sc= -0.15 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.427 K(o=-0.36,f=-2.7) USER MOD Set 1.3: A 66 MET CE :methyl -104:sc= -0.634 (180deg=-2.76!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -120:sc= 0.428 (180deg=0) USER MOD Set 2.2: A 61 TYR OH : rot 0:sc= 0.621 USER MOD Set 3.1: A 23 ASN : amide:sc= -0.256 K(o=-25,f=-25) USER MOD Set 3.2: A 44 MET CE :methyl -115:sc= -21.6! (180deg=-31.6!) USER MOD Set 3.3: A 47 HIS : no HD1:sc= -2.89 X(o=-25,f=-25) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= -0.0272 (180deg=-0.0361) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00138 USER MOD Single : A 35 SER OG : rot 109:sc= 0.808 USER MOD Single : A 38 SER OG : rot 100:sc= -3.97! USER MOD Single : A 39 THR OG1 : rot -88:sc= 0.404 USER MOD Single : A 48 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 52 TYR OH : rot -140:sc= 0.022 USER MOD Single : A 53 ASN : amide:sc= 0.508 K(o=0.51,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.52) USER MOD Single : A 57 HIS : no HE2:sc= -3.23 K(o=-3.2,f=-2.6) USER MOD Single : A 69 HIS : no HD1:sc= -8.43! C(o=-8.4!,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 10.600 4.038 -15.633 1.00 0.00 N ATOM 2 CA GLY A 8 9.419 4.935 -15.480 1.00 0.00 C ATOM 3 C GLY A 8 9.147 5.177 -13.993 1.00 0.00 C ATOM 4 O GLY A 8 9.287 6.281 -13.503 1.00 0.00 O ATOM 0 HA2 GLY A 8 9.602 5.883 -15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.545 4.486 -15.952 1.00 0.00 H new ATOM 8 N VAL A 9 8.757 4.152 -13.275 1.00 0.00 N ATOM 9 CA VAL A 9 8.472 4.315 -11.816 1.00 0.00 C ATOM 10 C VAL A 9 9.711 3.959 -10.981 1.00 0.00 C ATOM 11 O VAL A 9 10.689 3.444 -11.490 1.00 0.00 O ATOM 12 CB VAL A 9 7.316 3.349 -11.513 1.00 0.00 C ATOM 13 CG1 VAL A 9 6.093 3.724 -12.356 1.00 0.00 C ATOM 14 CG2 VAL A 9 7.732 1.906 -11.832 1.00 0.00 C ATOM 0 H VAL A 9 8.624 3.208 -13.638 1.00 0.00 H new ATOM 0 HA VAL A 9 8.212 5.344 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 9 7.067 3.423 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.276 3.036 -12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.784 4.742 -12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.347 3.661 -13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.904 1.232 -11.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.994 1.828 -12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.594 1.633 -11.223 1.00 0.00 H new ATOM 24 N PHE A 10 9.669 4.231 -9.700 1.00 0.00 N ATOM 25 CA PHE A 10 10.830 3.917 -8.816 1.00 0.00 C ATOM 26 C PHE A 10 10.345 3.189 -7.557 1.00 0.00 C ATOM 27 O PHE A 10 9.276 3.462 -7.041 1.00 0.00 O ATOM 28 CB PHE A 10 11.451 5.290 -8.489 1.00 0.00 C ATOM 29 CG PHE A 10 11.829 5.403 -7.022 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.896 5.890 -6.097 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.113 5.037 -6.592 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.243 6.010 -4.746 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.460 5.161 -5.240 1.00 0.00 C ATOM 34 CZ PHE A 10 12.526 5.647 -4.316 1.00 0.00 C ATOM 0 H PHE A 10 8.874 4.660 -9.227 1.00 0.00 H new ATOM 0 HA PHE A 10 11.561 3.256 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.337 5.445 -9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.743 6.079 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.907 6.173 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.834 4.660 -7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.521 6.383 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.449 4.881 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.794 5.742 -3.274 1.00 0.00 H new ATOM 44 N VAL A 11 11.136 2.278 -7.056 1.00 0.00 N ATOM 45 CA VAL A 11 10.747 1.535 -5.824 1.00 0.00 C ATOM 46 C VAL A 11 11.630 2.004 -4.669 1.00 0.00 C ATOM 47 O VAL A 11 12.832 1.811 -4.683 1.00 0.00 O ATOM 48 CB VAL A 11 10.968 0.042 -6.141 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.427 -0.220 -6.544 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.627 -0.798 -4.904 1.00 0.00 C ATOM 0 H VAL A 11 12.040 2.016 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 11 9.711 1.706 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 11 10.320 -0.235 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.559 -1.280 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.671 0.367 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.088 0.067 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.783 -1.854 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.271 -0.503 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.585 -0.635 -4.630 1.00 0.00 H new ATOM 60 N ASP A 12 11.047 2.649 -3.688 1.00 0.00 N ATOM 61 CA ASP A 12 11.847 3.167 -2.537 1.00 0.00 C ATOM 62 C ASP A 12 12.899 2.154 -2.078 1.00 0.00 C ATOM 63 O ASP A 12 12.584 1.139 -1.485 1.00 0.00 O ATOM 64 CB ASP A 12 10.837 3.430 -1.420 1.00 0.00 C ATOM 65 CG ASP A 12 11.539 4.121 -0.246 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.072 5.200 -0.447 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.527 3.561 0.837 1.00 0.00 O ATOM 0 H ASP A 12 10.046 2.839 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 12 12.395 4.067 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.024 4.055 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.392 2.491 -1.090 1.00 0.00 H new ATOM 72 N ASP A 13 14.152 2.445 -2.331 1.00 0.00 N ATOM 73 CA ASP A 13 15.240 1.536 -1.895 1.00 0.00 C ATOM 74 C ASP A 13 15.325 1.567 -0.369 1.00 0.00 C ATOM 75 O ASP A 13 15.780 0.631 0.261 1.00 0.00 O ATOM 76 CB ASP A 13 16.514 2.104 -2.524 1.00 0.00 C ATOM 77 CG ASP A 13 17.610 1.034 -2.519 1.00 0.00 C ATOM 78 OD1 ASP A 13 18.346 0.971 -1.548 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.692 0.294 -3.486 1.00 0.00 O ATOM 0 H ASP A 13 14.463 3.281 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 13 15.081 0.501 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.314 2.429 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.846 2.982 -1.969 1.00 0.00 H new ATOM 84 N HIS A 14 14.869 2.647 0.224 1.00 0.00 N ATOM 85 CA HIS A 14 14.890 2.770 1.705 1.00 0.00 C ATOM 86 C HIS A 14 13.949 1.735 2.339 1.00 0.00 C ATOM 87 O HIS A 14 14.094 1.379 3.493 1.00 0.00 O ATOM 88 CB HIS A 14 14.412 4.198 1.987 1.00 0.00 C ATOM 89 CG HIS A 14 15.266 4.807 3.064 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.004 4.613 4.412 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.384 5.602 3.010 1.00 0.00 C ATOM 92 CE1 HIS A 14 15.944 5.279 5.106 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.811 5.899 4.301 1.00 0.00 N ATOM 0 H HIS A 14 14.481 3.453 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 14 15.878 2.585 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.469 4.798 1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.367 4.189 2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.860 5.945 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.992 5.309 6.185 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.613 6.467 4.574 1.00 0.00 H new ATOM 101 N LEU A 15 13.005 1.227 1.583 1.00 0.00 N ATOM 102 CA LEU A 15 12.087 0.189 2.126 1.00 0.00 C ATOM 103 C LEU A 15 12.767 -1.176 1.960 1.00 0.00 C ATOM 104 O LEU A 15 12.693 -2.030 2.823 1.00 0.00 O ATOM 105 CB LEU A 15 10.794 0.322 1.293 1.00 0.00 C ATOM 106 CG LEU A 15 10.655 -0.816 0.271 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.069 -2.056 0.946 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.721 -0.370 -0.858 1.00 0.00 C ATOM 0 H LEU A 15 12.834 1.490 0.612 1.00 0.00 H new ATOM 0 HA LEU A 15 11.854 0.300 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.931 0.320 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.793 1.280 0.773 1.00 0.00 H new ATOM 0 HG LEU A 15 11.639 -1.057 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.974 -2.858 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.728 -2.377 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.086 -1.818 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.620 -1.175 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.741 -0.128 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.136 0.511 -1.347 1.00 0.00 H new ATOM 120 N LEU A 16 13.450 -1.366 0.854 1.00 0.00 N ATOM 121 CA LEU A 16 14.164 -2.652 0.609 1.00 0.00 C ATOM 122 C LEU A 16 15.266 -2.851 1.647 1.00 0.00 C ATOM 123 O LEU A 16 15.435 -3.931 2.177 1.00 0.00 O ATOM 124 CB LEU A 16 14.778 -2.519 -0.780 1.00 0.00 C ATOM 125 CG LEU A 16 13.777 -3.037 -1.799 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.772 -1.935 -2.110 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.506 -3.455 -3.075 1.00 0.00 C ATOM 0 H LEU A 16 13.541 -0.677 0.108 1.00 0.00 H new ATOM 0 HA LEU A 16 13.491 -3.506 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.025 -1.478 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.707 -3.085 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 16 13.255 -3.904 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.049 -2.297 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.252 -1.649 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.295 -1.069 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.783 -3.826 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.032 -2.596 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.223 -4.242 -2.843 1.00 0.00 H new ATOM 139 N GLU A 17 16.011 -1.809 1.944 1.00 0.00 N ATOM 140 CA GLU A 17 17.105 -1.933 2.961 1.00 0.00 C ATOM 141 C GLU A 17 16.544 -2.420 4.309 1.00 0.00 C ATOM 142 O GLU A 17 17.274 -2.917 5.145 1.00 0.00 O ATOM 143 CB GLU A 17 17.714 -0.533 3.089 1.00 0.00 C ATOM 144 CG GLU A 17 16.668 0.428 3.639 1.00 0.00 C ATOM 145 CD GLU A 17 17.272 1.283 4.754 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.456 0.761 5.842 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.539 2.447 4.503 1.00 0.00 O ATOM 0 H GLU A 17 15.909 -0.883 1.528 1.00 0.00 H new ATOM 0 HA GLU A 17 17.855 -2.664 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.581 -0.561 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.065 -0.187 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.296 1.069 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.814 -0.132 4.022 1.00 0.00 H new ATOM 154 N LYS A 18 15.254 -2.287 4.520 1.00 0.00 N ATOM 155 CA LYS A 18 14.640 -2.745 5.800 1.00 0.00 C ATOM 156 C LYS A 18 13.914 -4.085 5.604 1.00 0.00 C ATOM 157 O LYS A 18 13.799 -4.869 6.528 1.00 0.00 O ATOM 158 CB LYS A 18 13.637 -1.649 6.166 1.00 0.00 C ATOM 159 CG LYS A 18 14.384 -0.408 6.662 1.00 0.00 C ATOM 160 CD LYS A 18 13.387 0.736 6.872 1.00 0.00 C ATOM 161 CE LYS A 18 14.146 2.056 7.036 1.00 0.00 C ATOM 162 NZ LYS A 18 14.479 2.139 8.487 1.00 0.00 N ATOM 0 H LYS A 18 14.600 -1.878 3.853 1.00 0.00 H new ATOM 0 HA LYS A 18 15.387 -2.903 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.028 -1.396 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.957 -2.009 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.901 -0.630 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.144 -0.114 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.707 0.799 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.778 0.543 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.048 2.070 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.535 2.903 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.000 3.019 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.602 2.131 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.067 1.325 8.755 1.00 0.00 H new ATOM 176 N VAL A 19 13.412 -4.353 4.417 1.00 0.00 N ATOM 177 CA VAL A 19 12.683 -5.640 4.182 1.00 0.00 C ATOM 178 C VAL A 19 13.653 -6.802 3.970 1.00 0.00 C ATOM 179 O VAL A 19 13.402 -7.908 4.406 1.00 0.00 O ATOM 180 CB VAL A 19 11.842 -5.410 2.928 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.678 -5.645 1.665 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.660 -6.381 2.950 1.00 0.00 C ATOM 0 H VAL A 19 13.477 -3.737 3.606 1.00 0.00 H new ATOM 0 HA VAL A 19 12.071 -5.908 5.043 1.00 0.00 H new ATOM 0 HB VAL A 19 11.487 -4.380 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.060 -5.476 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.522 -4.956 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.047 -6.671 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.048 -6.230 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.031 -7.406 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.057 -6.200 3.840 1.00 0.00 H new ATOM 192 N LEU A 20 14.762 -6.559 3.319 1.00 0.00 N ATOM 193 CA LEU A 20 15.748 -7.659 3.104 1.00 0.00 C ATOM 194 C LEU A 20 16.248 -8.121 4.470 1.00 0.00 C ATOM 195 O LEU A 20 16.633 -9.260 4.652 1.00 0.00 O ATOM 196 CB LEU A 20 16.880 -7.070 2.247 1.00 0.00 C ATOM 197 CG LEU A 20 17.668 -6.016 3.033 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.852 -6.678 3.744 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.191 -4.957 2.062 1.00 0.00 C ATOM 0 H LEU A 20 15.026 -5.654 2.930 1.00 0.00 H new ATOM 0 HA LEU A 20 15.321 -8.523 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.551 -7.867 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.463 -6.621 1.345 1.00 0.00 H new ATOM 0 HG LEU A 20 17.016 -5.553 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.409 -5.925 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.484 -7.440 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.507 -7.141 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.753 -4.203 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.842 -5.428 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.351 -4.483 1.553 1.00 0.00 H new ATOM 211 N GLU A 21 16.194 -7.240 5.444 1.00 0.00 N ATOM 212 CA GLU A 21 16.608 -7.615 6.814 1.00 0.00 C ATOM 213 C GLU A 21 15.520 -8.498 7.431 1.00 0.00 C ATOM 214 O GLU A 21 15.799 -9.414 8.182 1.00 0.00 O ATOM 215 CB GLU A 21 16.725 -6.297 7.581 1.00 0.00 C ATOM 216 CG GLU A 21 18.191 -6.029 7.932 1.00 0.00 C ATOM 217 CD GLU A 21 18.644 -4.720 7.281 1.00 0.00 C ATOM 218 OE1 GLU A 21 18.352 -3.672 7.835 1.00 0.00 O ATOM 219 OE2 GLU A 21 19.278 -4.786 6.240 1.00 0.00 O ATOM 0 H GLU A 21 15.878 -6.276 5.337 1.00 0.00 H new ATOM 0 HA GLU A 21 17.547 -8.168 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.330 -5.479 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.126 -6.341 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.311 -5.970 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.815 -6.854 7.587 1.00 0.00 H new ATOM 226 N LEU A 22 14.276 -8.232 7.094 1.00 0.00 N ATOM 227 CA LEU A 22 13.151 -9.055 7.629 1.00 0.00 C ATOM 228 C LEU A 22 13.100 -10.395 6.891 1.00 0.00 C ATOM 229 O LEU A 22 12.665 -11.393 7.430 1.00 0.00 O ATOM 230 CB LEU A 22 11.881 -8.238 7.344 1.00 0.00 C ATOM 231 CG LEU A 22 11.846 -6.944 8.181 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.413 -6.685 8.649 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.759 -7.058 9.409 1.00 0.00 C ATOM 0 H LEU A 22 13.996 -7.476 6.469 1.00 0.00 H new ATOM 0 HA LEU A 22 13.261 -9.270 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.837 -7.989 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.001 -8.841 7.566 1.00 0.00 H new ATOM 0 HG LEU A 22 12.199 -6.122 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.383 -5.771 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.761 -6.577 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.072 -7.523 9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.716 -6.132 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.427 -7.887 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.784 -7.236 9.085 1.00 0.00 H new ATOM 245 N ASN A 23 13.565 -10.423 5.665 1.00 0.00 N ATOM 246 CA ASN A 23 13.572 -11.699 4.888 1.00 0.00 C ATOM 247 C ASN A 23 14.829 -12.512 5.239 1.00 0.00 C ATOM 248 O ASN A 23 14.922 -13.685 4.931 1.00 0.00 O ATOM 249 CB ASN A 23 13.596 -11.276 3.416 1.00 0.00 C ATOM 250 CG ASN A 23 12.186 -10.875 2.971 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.300 -11.705 2.902 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.937 -9.632 2.663 1.00 0.00 N ATOM 0 H ASN A 23 13.940 -9.614 5.169 1.00 0.00 H new ATOM 0 HA ASN A 23 12.708 -12.326 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.282 -10.440 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.964 -12.095 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.001 -9.358 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.679 -8.934 2.720 1.00 0.00 H new ATOM 259 N ALA A 24 15.790 -11.893 5.890 1.00 0.00 N ATOM 260 CA ALA A 24 17.031 -12.605 6.273 1.00 0.00 C ATOM 261 C ALA A 24 16.853 -13.265 7.640 1.00 0.00 C ATOM 262 O ALA A 24 17.323 -14.363 7.873 1.00 0.00 O ATOM 263 CB ALA A 24 18.105 -11.520 6.345 1.00 0.00 C ATOM 0 H ALA A 24 15.756 -10.913 6.170 1.00 0.00 H new ATOM 0 HA ALA A 24 17.292 -13.392 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.058 -11.969 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.202 -11.039 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.822 -10.777 7.090 1.00 0.00 H new ATOM 269 N LYS A 25 16.167 -12.605 8.544 1.00 0.00 N ATOM 270 CA LYS A 25 15.947 -13.196 9.896 1.00 0.00 C ATOM 271 C LYS A 25 14.576 -13.872 9.945 1.00 0.00 C ATOM 272 O LYS A 25 14.337 -14.757 10.745 1.00 0.00 O ATOM 273 CB LYS A 25 15.995 -12.014 10.873 1.00 0.00 C ATOM 274 CG LYS A 25 17.281 -11.200 10.667 1.00 0.00 C ATOM 275 CD LYS A 25 18.497 -12.132 10.648 1.00 0.00 C ATOM 276 CE LYS A 25 18.743 -12.689 12.055 1.00 0.00 C ATOM 277 NZ LYS A 25 19.887 -13.634 11.905 1.00 0.00 N ATOM 0 H LYS A 25 15.752 -11.684 8.401 1.00 0.00 H new ATOM 0 HA LYS A 25 16.694 -13.950 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.125 -11.375 10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.949 -12.380 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.223 -10.645 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.388 -10.466 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.330 -12.950 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.377 -11.590 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.981 -11.891 12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.859 -13.198 12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.113 -14.055 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.630 -14.387 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.717 -13.120 11.546 1.00 0.00 H new ATOM 291 N GLY A 26 13.673 -13.448 9.096 1.00 0.00 N ATOM 292 CA GLY A 26 12.306 -14.045 9.084 1.00 0.00 C ATOM 293 C GLY A 26 11.388 -13.224 9.993 1.00 0.00 C ATOM 294 O GLY A 26 10.412 -13.727 10.517 1.00 0.00 O ATOM 0 H GLY A 26 13.827 -12.710 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.912 -14.060 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.345 -15.079 9.426 1.00 0.00 H new ATOM 298 N GLU A 27 11.696 -11.961 10.186 1.00 0.00 N ATOM 299 CA GLU A 27 10.842 -11.103 11.064 1.00 0.00 C ATOM 300 C GLU A 27 9.513 -10.790 10.369 1.00 0.00 C ATOM 301 O GLU A 27 9.486 -10.293 9.258 1.00 0.00 O ATOM 302 CB GLU A 27 11.646 -9.820 11.279 1.00 0.00 C ATOM 303 CG GLU A 27 12.878 -10.114 12.141 1.00 0.00 C ATOM 304 CD GLU A 27 13.913 -9.002 11.951 1.00 0.00 C ATOM 305 OE1 GLU A 27 14.665 -9.075 10.993 1.00 0.00 O ATOM 306 OE2 GLU A 27 13.937 -8.095 12.768 1.00 0.00 O ATOM 0 H GLU A 27 12.501 -11.490 9.773 1.00 0.00 H new ATOM 0 HA GLU A 27 10.602 -11.595 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.954 -9.408 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.024 -9.068 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.592 -10.184 13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.308 -11.076 11.863 1.00 0.00 H new ATOM 313 N LYS A 28 8.413 -11.079 11.017 1.00 0.00 N ATOM 314 CA LYS A 28 7.079 -10.803 10.401 1.00 0.00 C ATOM 315 C LYS A 28 6.605 -9.394 10.773 1.00 0.00 C ATOM 316 O LYS A 28 6.015 -9.182 11.817 1.00 0.00 O ATOM 317 CB LYS A 28 6.140 -11.865 10.983 1.00 0.00 C ATOM 318 CG LYS A 28 6.044 -13.047 10.016 1.00 0.00 C ATOM 319 CD LYS A 28 4.760 -12.935 9.188 1.00 0.00 C ATOM 320 CE LYS A 28 4.993 -11.993 7.999 1.00 0.00 C ATOM 321 NZ LYS A 28 4.243 -10.747 8.332 1.00 0.00 N ATOM 0 H LYS A 28 8.381 -11.495 11.948 1.00 0.00 H new ATOM 0 HA LYS A 28 7.110 -10.847 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.511 -12.202 11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.151 -11.438 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.912 -13.062 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.049 -13.985 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.459 -13.920 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.947 -12.559 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.055 -11.788 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.631 -12.434 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.523 -10.570 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.780 -10.857 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.903 -9.944 8.369 1.00 0.00 H new ATOM 335 N ARG A 29 6.860 -8.431 9.923 1.00 0.00 N ATOM 336 CA ARG A 29 6.426 -7.031 10.216 1.00 0.00 C ATOM 337 C ARG A 29 6.128 -6.283 8.913 1.00 0.00 C ATOM 338 O ARG A 29 5.917 -6.880 7.873 1.00 0.00 O ATOM 339 CB ARG A 29 7.611 -6.389 10.945 1.00 0.00 C ATOM 340 CG ARG A 29 7.104 -5.534 12.109 1.00 0.00 C ATOM 341 CD ARG A 29 8.295 -4.926 12.858 1.00 0.00 C ATOM 342 NE ARG A 29 8.869 -3.913 11.924 1.00 0.00 N ATOM 343 CZ ARG A 29 8.508 -2.659 12.012 1.00 0.00 C ATOM 344 NH1 ARG A 29 7.753 -2.132 11.084 1.00 0.00 N ATOM 345 NH2 ARG A 29 8.904 -1.934 13.027 1.00 0.00 N ATOM 0 H ARG A 29 7.351 -8.554 9.037 1.00 0.00 H new ATOM 0 HA ARG A 29 5.515 -7.000 10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.283 -7.162 11.316 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.185 -5.773 10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.454 -4.743 11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.507 -6.143 12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.978 -4.464 13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.031 -5.689 13.112 1.00 0.00 H new ATOM 0 HE ARG A 29 9.544 -4.199 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.447 -2.699 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.470 -1.154 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.494 -2.347 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.623 -0.956 13.096 1.00 0.00 H new ATOM 359 N LEU A 30 6.113 -4.976 8.968 1.00 0.00 N ATOM 360 CA LEU A 30 5.832 -4.169 7.749 1.00 0.00 C ATOM 361 C LEU A 30 7.019 -3.256 7.426 1.00 0.00 C ATOM 362 O LEU A 30 7.887 -3.038 8.254 1.00 0.00 O ATOM 363 CB LEU A 30 4.579 -3.353 8.104 1.00 0.00 C ATOM 364 CG LEU A 30 4.952 -2.089 8.897 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.210 -0.882 8.315 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.554 -2.271 10.364 1.00 0.00 C ATOM 0 H LEU A 30 6.285 -4.432 9.813 1.00 0.00 H new ATOM 0 HA LEU A 30 5.676 -4.786 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.053 -3.072 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.895 -3.966 8.691 1.00 0.00 H new ATOM 0 HG LEU A 30 6.027 -1.923 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.475 0.014 8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.492 -0.751 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.135 -1.048 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.818 -1.375 10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.479 -2.438 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.081 -3.129 10.780 1.00 0.00 H new ATOM 378 N ILE A 31 7.060 -2.709 6.236 1.00 0.00 N ATOM 379 CA ILE A 31 8.183 -1.797 5.875 1.00 0.00 C ATOM 380 C ILE A 31 7.638 -0.378 5.705 1.00 0.00 C ATOM 381 O ILE A 31 6.454 -0.180 5.529 1.00 0.00 O ATOM 382 CB ILE A 31 8.757 -2.339 4.557 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.150 -3.814 4.717 1.00 0.00 C ATOM 384 CG2 ILE A 31 9.993 -1.527 4.159 1.00 0.00 C ATOM 385 CD1 ILE A 31 10.073 -3.997 5.925 1.00 0.00 C ATOM 0 H ILE A 31 6.366 -2.855 5.503 1.00 0.00 H new ATOM 0 HA ILE A 31 8.958 -1.758 6.641 1.00 0.00 H new ATOM 0 HB ILE A 31 7.996 -2.253 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.255 -4.423 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.651 -4.163 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.397 -1.914 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.715 -0.481 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.748 -1.607 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.341 -5.049 6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.977 -3.404 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.559 -3.668 6.828 1.00 0.00 H new ATOM 397 N LYS A 32 8.486 0.611 5.786 1.00 0.00 N ATOM 398 CA LYS A 32 8.008 2.024 5.654 1.00 0.00 C ATOM 399 C LYS A 32 8.783 2.762 4.554 1.00 0.00 C ATOM 400 O LYS A 32 9.911 2.425 4.242 1.00 0.00 O ATOM 401 CB LYS A 32 8.274 2.649 7.025 1.00 0.00 C ATOM 402 CG LYS A 32 7.531 1.854 8.103 1.00 0.00 C ATOM 403 CD LYS A 32 8.501 0.898 8.808 1.00 0.00 C ATOM 404 CE LYS A 32 9.401 1.687 9.766 1.00 0.00 C ATOM 405 NZ LYS A 32 10.795 1.401 9.318 1.00 0.00 N ATOM 0 H LYS A 32 9.489 0.505 5.938 1.00 0.00 H new ATOM 0 HA LYS A 32 6.957 2.081 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.344 2.652 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.945 3.688 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.087 2.536 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.714 1.290 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.944 0.140 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.109 0.374 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.184 2.754 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.247 1.374 10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.455 2.034 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.034 0.412 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.869 1.557 8.292 1.00 0.00 H new ATOM 419 N THR A 33 8.174 3.761 3.958 1.00 0.00 N ATOM 420 CA THR A 33 8.859 4.521 2.864 1.00 0.00 C ATOM 421 C THR A 33 8.572 6.028 2.986 1.00 0.00 C ATOM 422 O THR A 33 7.563 6.429 3.532 1.00 0.00 O ATOM 423 CB THR A 33 8.249 3.958 1.578 1.00 0.00 C ATOM 424 OG1 THR A 33 8.703 2.625 1.383 1.00 0.00 O ATOM 425 CG2 THR A 33 8.668 4.815 0.388 1.00 0.00 C ATOM 0 H THR A 33 7.232 4.082 4.182 1.00 0.00 H new ATOM 0 HA THR A 33 9.943 4.413 2.896 1.00 0.00 H new ATOM 0 HB THR A 33 7.162 3.967 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.312 2.263 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.231 4.409 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.318 5.837 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.755 4.812 0.302 1.00 0.00 H new ATOM 433 N TRP A 34 9.459 6.865 2.476 1.00 0.00 N ATOM 434 CA TRP A 34 9.240 8.352 2.561 1.00 0.00 C ATOM 435 C TRP A 34 9.810 9.072 1.322 1.00 0.00 C ATOM 436 O TRP A 34 10.301 10.180 1.422 1.00 0.00 O ATOM 437 CB TRP A 34 10.008 8.815 3.805 1.00 0.00 C ATOM 438 CG TRP A 34 9.569 8.053 5.013 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.532 8.387 5.811 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.146 6.842 5.573 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.437 7.456 6.829 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.412 6.483 6.725 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.227 6.029 5.192 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.742 5.357 7.478 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.561 4.893 5.944 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.821 4.559 7.086 1.00 0.00 C ATOM 0 H TRP A 34 10.320 6.582 2.008 1.00 0.00 H new ATOM 0 HA TRP A 34 8.176 8.581 2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.078 8.676 3.650 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.845 9.881 3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.884 9.240 5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.733 7.484 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.804 6.280 4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.169 5.103 8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.392 4.273 5.641 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.084 3.685 7.663 1.00 0.00 H new ATOM 457 N SER A 35 9.758 8.461 0.162 1.00 0.00 N ATOM 458 CA SER A 35 10.315 9.134 -1.058 1.00 0.00 C ATOM 459 C SER A 35 9.244 10.005 -1.746 1.00 0.00 C ATOM 460 O SER A 35 9.064 11.156 -1.395 1.00 0.00 O ATOM 461 CB SER A 35 10.785 7.994 -1.968 1.00 0.00 C ATOM 462 OG SER A 35 12.167 7.755 -1.742 1.00 0.00 O ATOM 0 H SER A 35 9.359 7.535 0.006 1.00 0.00 H new ATOM 0 HA SER A 35 11.134 9.811 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.210 7.091 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.615 8.253 -3.013 1.00 0.00 H new ATOM 0 HG SER A 35 12.279 6.899 -1.278 1.00 0.00 H new ATOM 468 N ARG A 36 8.538 9.471 -2.720 1.00 0.00 N ATOM 469 CA ARG A 36 7.484 10.268 -3.431 1.00 0.00 C ATOM 470 C ARG A 36 6.663 9.334 -4.331 1.00 0.00 C ATOM 471 O ARG A 36 5.497 9.089 -4.085 1.00 0.00 O ATOM 472 CB ARG A 36 8.251 11.301 -4.266 1.00 0.00 C ATOM 473 CG ARG A 36 7.265 12.151 -5.076 1.00 0.00 C ATOM 474 CD ARG A 36 7.993 12.802 -6.256 1.00 0.00 C ATOM 475 NE ARG A 36 8.254 11.690 -7.213 1.00 0.00 N ATOM 476 CZ ARG A 36 7.668 11.677 -8.383 1.00 0.00 C ATOM 477 NH1 ARG A 36 8.387 11.733 -9.473 1.00 0.00 N ATOM 478 NH2 ARG A 36 6.364 11.605 -8.460 1.00 0.00 N ATOM 0 H ARG A 36 8.648 8.513 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 36 6.788 10.754 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.845 11.940 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.946 10.796 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.447 11.529 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.824 12.919 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.383 13.581 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.923 13.272 -5.935 1.00 0.00 H new ATOM 0 HE ARG A 36 8.891 10.937 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.404 11.787 -9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.931 11.723 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.805 11.559 -7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.907 11.595 -9.372 1.00 0.00 H new ATOM 492 N ARG A 37 7.276 8.785 -5.352 1.00 0.00 N ATOM 493 CA ARG A 37 6.553 7.832 -6.253 1.00 0.00 C ATOM 494 C ARG A 37 7.020 6.405 -5.924 1.00 0.00 C ATOM 495 O ARG A 37 7.309 5.604 -6.794 1.00 0.00 O ATOM 496 CB ARG A 37 6.931 8.237 -7.686 1.00 0.00 C ATOM 497 CG ARG A 37 8.454 8.241 -7.858 1.00 0.00 C ATOM 498 CD ARG A 37 8.826 7.478 -9.129 1.00 0.00 C ATOM 499 NE ARG A 37 10.049 8.157 -9.648 1.00 0.00 N ATOM 500 CZ ARG A 37 10.293 8.172 -10.931 1.00 0.00 C ATOM 501 NH1 ARG A 37 11.197 7.370 -11.433 1.00 0.00 N ATOM 502 NH2 ARG A 37 9.635 8.989 -11.711 1.00 0.00 N ATOM 0 H ARG A 37 8.250 8.957 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 37 5.470 7.862 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.481 7.544 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.531 9.226 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.821 9.266 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.930 7.780 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.020 6.427 -8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.017 7.511 -9.859 1.00 0.00 H new ATOM 0 HE ARG A 37 10.695 8.610 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.710 6.734 -10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.388 7.381 -12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.932 9.614 -11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.825 9.001 -12.713 1.00 0.00 H new ATOM 516 N SER A 38 7.111 6.113 -4.648 1.00 0.00 N ATOM 517 CA SER A 38 7.575 4.780 -4.168 1.00 0.00 C ATOM 518 C SER A 38 6.732 3.628 -4.739 1.00 0.00 C ATOM 519 O SER A 38 5.573 3.791 -5.071 1.00 0.00 O ATOM 520 CB SER A 38 7.419 4.880 -2.651 1.00 0.00 C ATOM 521 OG SER A 38 8.476 5.680 -2.141 1.00 0.00 O ATOM 0 H SER A 38 6.875 6.766 -3.901 1.00 0.00 H new ATOM 0 HA SER A 38 8.594 4.557 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.455 5.320 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.444 3.887 -2.201 1.00 0.00 H new ATOM 0 HG SER A 38 8.149 6.589 -1.978 1.00 0.00 H new ATOM 527 N THR A 39 7.328 2.462 -4.849 1.00 0.00 N ATOM 528 CA THR A 39 6.604 1.270 -5.393 1.00 0.00 C ATOM 529 C THR A 39 6.989 0.011 -4.598 1.00 0.00 C ATOM 530 O THR A 39 7.984 -0.011 -3.899 1.00 0.00 O ATOM 531 CB THR A 39 7.074 1.154 -6.851 1.00 0.00 C ATOM 532 OG1 THR A 39 6.597 2.269 -7.592 1.00 0.00 O ATOM 533 CG2 THR A 39 6.537 -0.140 -7.474 1.00 0.00 C ATOM 0 H THR A 39 8.296 2.286 -4.581 1.00 0.00 H new ATOM 0 HA THR A 39 5.521 1.372 -5.321 1.00 0.00 H new ATOM 0 HB THR A 39 8.164 1.136 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.705 2.069 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.875 -0.214 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.906 -0.996 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.447 -0.131 -7.449 1.00 0.00 H new ATOM 541 N ILE A 40 6.201 -1.035 -4.696 1.00 0.00 N ATOM 542 CA ILE A 40 6.517 -2.297 -3.940 1.00 0.00 C ATOM 543 C ILE A 40 7.564 -3.145 -4.689 1.00 0.00 C ATOM 544 O ILE A 40 7.890 -2.885 -5.833 1.00 0.00 O ATOM 545 CB ILE A 40 5.179 -3.048 -3.848 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.195 -2.239 -2.996 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.379 -4.424 -3.207 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.440 -1.253 -3.882 1.00 0.00 C ATOM 0 H ILE A 40 5.355 -1.072 -5.264 1.00 0.00 H new ATOM 0 HA ILE A 40 6.941 -2.086 -2.958 1.00 0.00 H new ATOM 0 HB ILE A 40 4.784 -3.178 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.493 -2.909 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.732 -1.703 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.421 -4.941 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.072 -5.009 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.786 -4.302 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.741 -0.679 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.149 -0.575 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.890 -1.800 -4.648 1.00 0.00 H new ATOM 560 N VAL A 41 8.069 -4.170 -4.043 1.00 0.00 N ATOM 561 CA VAL A 41 9.082 -5.076 -4.686 1.00 0.00 C ATOM 562 C VAL A 41 8.681 -6.537 -4.468 1.00 0.00 C ATOM 563 O VAL A 41 7.714 -6.825 -3.786 1.00 0.00 O ATOM 564 CB VAL A 41 10.451 -4.808 -4.017 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.417 -4.230 -5.058 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.334 -3.813 -2.852 1.00 0.00 C ATOM 0 H VAL A 41 7.821 -4.422 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 41 9.136 -4.885 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 41 10.819 -5.756 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.383 -4.039 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.542 -4.942 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.013 -3.297 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.317 -3.653 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.943 -2.865 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.658 -4.215 -2.097 1.00 0.00 H new ATOM 576 N PRO A 42 9.441 -7.415 -5.071 1.00 0.00 N ATOM 577 CA PRO A 42 9.164 -8.869 -4.961 1.00 0.00 C ATOM 578 C PRO A 42 9.461 -9.393 -3.553 1.00 0.00 C ATOM 579 O PRO A 42 8.803 -10.293 -3.072 1.00 0.00 O ATOM 580 CB PRO A 42 10.111 -9.480 -5.983 1.00 0.00 C ATOM 581 CG PRO A 42 11.221 -8.497 -6.129 1.00 0.00 C ATOM 582 CD PRO A 42 10.623 -7.143 -5.904 1.00 0.00 C ATOM 0 HA PRO A 42 8.118 -9.115 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.484 -10.447 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.607 -9.648 -6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.013 -8.696 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.670 -8.563 -7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.322 -6.476 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.348 -6.666 -6.845 1.00 0.00 H new ATOM 590 N GLU A 43 10.435 -8.835 -2.887 1.00 0.00 N ATOM 591 CA GLU A 43 10.760 -9.297 -1.500 1.00 0.00 C ATOM 592 C GLU A 43 9.678 -8.840 -0.498 1.00 0.00 C ATOM 593 O GLU A 43 9.736 -9.160 0.674 1.00 0.00 O ATOM 594 CB GLU A 43 12.114 -8.657 -1.167 1.00 0.00 C ATOM 595 CG GLU A 43 11.991 -7.130 -1.185 1.00 0.00 C ATOM 596 CD GLU A 43 13.236 -6.521 -1.831 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.242 -6.381 -3.043 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.165 -6.206 -1.104 1.00 0.00 O ATOM 0 H GLU A 43 11.022 -8.079 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 43 10.798 -10.384 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.452 -8.991 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.865 -8.978 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.100 -6.834 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.875 -6.753 -0.169 1.00 0.00 H new ATOM 605 N MET A 44 8.703 -8.085 -0.952 1.00 0.00 N ATOM 606 CA MET A 44 7.622 -7.588 -0.041 1.00 0.00 C ATOM 607 C MET A 44 6.418 -8.547 0.012 1.00 0.00 C ATOM 608 O MET A 44 5.355 -8.167 0.455 1.00 0.00 O ATOM 609 CB MET A 44 7.176 -6.257 -0.653 1.00 0.00 C ATOM 610 CG MET A 44 8.392 -5.395 -1.003 1.00 0.00 C ATOM 611 SD MET A 44 9.551 -5.334 0.389 1.00 0.00 S ATOM 612 CE MET A 44 8.343 -5.114 1.719 1.00 0.00 C ATOM 0 H MET A 44 8.610 -7.790 -1.924 1.00 0.00 H new ATOM 0 HA MET A 44 7.991 -7.499 0.981 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.584 -6.442 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.534 -5.724 0.049 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.892 -5.801 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.068 -4.386 -1.258 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.487 -4.138 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 44 7.335 -5.176 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.479 -5.895 2.467 1.00 0.00 H new ATOM 622 N VAL A 45 6.562 -9.770 -0.440 1.00 0.00 N ATOM 623 CA VAL A 45 5.405 -10.735 -0.432 1.00 0.00 C ATOM 624 C VAL A 45 4.921 -11.092 0.994 1.00 0.00 C ATOM 625 O VAL A 45 4.030 -11.906 1.159 1.00 0.00 O ATOM 626 CB VAL A 45 5.947 -11.980 -1.148 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.872 -13.068 -1.212 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.374 -11.600 -2.569 1.00 0.00 C ATOM 0 H VAL A 45 7.432 -10.147 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 45 4.531 -10.301 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 45 6.803 -12.364 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.271 -13.944 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.572 -13.343 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.007 -12.693 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.760 -12.482 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.515 -11.210 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.152 -10.838 -2.524 1.00 0.00 H new ATOM 638 N GLY A 46 5.466 -10.487 2.016 1.00 0.00 N ATOM 639 CA GLY A 46 5.009 -10.789 3.403 1.00 0.00 C ATOM 640 C GLY A 46 5.198 -9.549 4.281 1.00 0.00 C ATOM 641 O GLY A 46 5.432 -9.658 5.470 1.00 0.00 O ATOM 0 H GLY A 46 6.211 -9.794 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.960 -11.087 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.575 -11.627 3.810 1.00 0.00 H new ATOM 645 N HIS A 47 5.112 -8.369 3.705 1.00 0.00 N ATOM 646 CA HIS A 47 5.302 -7.127 4.514 1.00 0.00 C ATOM 647 C HIS A 47 4.290 -6.054 4.104 1.00 0.00 C ATOM 648 O HIS A 47 3.861 -5.986 2.967 1.00 0.00 O ATOM 649 CB HIS A 47 6.731 -6.637 4.220 1.00 0.00 C ATOM 650 CG HIS A 47 7.708 -7.786 4.248 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.476 -8.078 5.366 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.058 -8.720 3.300 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.241 -9.144 5.066 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.024 -9.575 3.820 1.00 0.00 N ATOM 0 H HIS A 47 4.919 -8.217 2.715 1.00 0.00 H new ATOM 0 HA HIS A 47 5.153 -7.327 5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.760 -6.152 3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.022 -5.888 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.645 -8.780 2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.945 -9.596 5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.471 -10.363 3.351 1.00 0.00 H new ATOM 662 N THR A 48 3.930 -5.208 5.031 1.00 0.00 N ATOM 663 CA THR A 48 2.967 -4.110 4.746 1.00 0.00 C ATOM 664 C THR A 48 3.770 -2.824 4.524 1.00 0.00 C ATOM 665 O THR A 48 4.021 -2.064 5.439 1.00 0.00 O ATOM 666 CB THR A 48 2.087 -4.012 6.009 1.00 0.00 C ATOM 667 OG1 THR A 48 2.098 -5.252 6.710 1.00 0.00 O ATOM 668 CG2 THR A 48 0.650 -3.680 5.616 1.00 0.00 C ATOM 0 H THR A 48 4.271 -5.234 5.992 1.00 0.00 H new ATOM 0 HA THR A 48 2.353 -4.279 3.861 1.00 0.00 H new ATOM 0 HB THR A 48 2.486 -3.226 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.635 -5.933 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.034 -3.612 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.628 -2.727 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.260 -4.464 4.966 1.00 0.00 H new ATOM 676 N ILE A 49 4.212 -2.597 3.316 1.00 0.00 N ATOM 677 CA ILE A 49 5.036 -1.380 3.043 1.00 0.00 C ATOM 678 C ILE A 49 4.186 -0.120 3.071 1.00 0.00 C ATOM 679 O ILE A 49 3.319 0.060 2.241 1.00 0.00 O ATOM 680 CB ILE A 49 5.605 -1.554 1.635 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.509 -2.778 1.584 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.420 -0.309 1.260 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.096 -2.906 0.176 1.00 0.00 C ATOM 0 H ILE A 49 4.040 -3.197 2.509 1.00 0.00 H new ATOM 0 HA ILE A 49 5.813 -1.276 3.801 1.00 0.00 H new ATOM 0 HB ILE A 49 4.783 -1.686 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.309 -2.686 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.944 -3.674 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.827 -0.430 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.775 0.570 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.237 -0.181 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.745 -3.780 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.287 -3.016 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.674 -2.012 -0.060 1.00 0.00 H new ATOM 695 N ALA A 50 4.465 0.782 3.974 1.00 0.00 N ATOM 696 CA ALA A 50 3.705 2.055 3.987 1.00 0.00 C ATOM 697 C ALA A 50 4.312 2.941 2.903 1.00 0.00 C ATOM 698 O ALA A 50 5.060 3.867 3.165 1.00 0.00 O ATOM 699 CB ALA A 50 3.880 2.640 5.380 1.00 0.00 C ATOM 0 H ALA A 50 5.180 0.690 4.695 1.00 0.00 H new ATOM 0 HA ALA A 50 2.640 1.944 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.339 3.584 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.488 1.942 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.939 2.814 5.571 1.00 0.00 H new ATOM 705 N VAL A 51 4.018 2.602 1.675 1.00 0.00 N ATOM 706 CA VAL A 51 4.580 3.342 0.508 1.00 0.00 C ATOM 707 C VAL A 51 4.252 4.830 0.585 1.00 0.00 C ATOM 708 O VAL A 51 3.106 5.224 0.699 1.00 0.00 O ATOM 709 CB VAL A 51 3.931 2.716 -0.737 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.298 1.231 -0.825 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.405 2.866 -0.664 1.00 0.00 C ATOM 0 H VAL A 51 3.400 1.829 1.428 1.00 0.00 H new ATOM 0 HA VAL A 51 5.667 3.265 0.483 1.00 0.00 H new ATOM 0 HB VAL A 51 4.300 3.231 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.835 0.794 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.381 1.127 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.940 0.714 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.953 2.420 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.032 2.361 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.145 3.924 -0.617 1.00 0.00 H new ATOM 721 N TYR A 52 5.256 5.657 0.500 1.00 0.00 N ATOM 722 CA TYR A 52 5.017 7.119 0.536 1.00 0.00 C ATOM 723 C TYR A 52 4.487 7.555 -0.829 1.00 0.00 C ATOM 724 O TYR A 52 5.237 7.684 -1.779 1.00 0.00 O ATOM 725 CB TYR A 52 6.382 7.752 0.828 1.00 0.00 C ATOM 726 CG TYR A 52 6.201 9.200 1.220 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.498 9.529 2.384 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.742 10.212 0.422 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.338 10.869 2.751 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.581 11.553 0.786 1.00 0.00 C ATOM 731 CZ TYR A 52 5.880 11.882 1.953 1.00 0.00 C ATOM 732 OH TYR A 52 5.723 13.206 2.314 1.00 0.00 O ATOM 0 H TYR A 52 6.233 5.379 0.407 1.00 0.00 H new ATOM 0 HA TYR A 52 4.287 7.417 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.881 7.208 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.022 7.681 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.078 8.747 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.285 9.958 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.796 11.122 3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.997 12.334 0.167 1.00 0.00 H new ATOM 0 HH TYR A 52 5.544 13.744 1.515 1.00 0.00 H new ATOM 742 N ASN A 53 3.197 7.774 -0.939 1.00 0.00 N ATOM 743 CA ASN A 53 2.620 8.197 -2.255 1.00 0.00 C ATOM 744 C ASN A 53 2.952 9.669 -2.557 1.00 0.00 C ATOM 745 O ASN A 53 2.421 10.254 -3.482 1.00 0.00 O ATOM 746 CB ASN A 53 1.103 7.980 -2.126 1.00 0.00 C ATOM 747 CG ASN A 53 0.473 9.096 -1.286 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.629 9.128 -0.083 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.240 10.017 -1.875 1.00 0.00 N ATOM 0 H ASN A 53 2.523 7.679 -0.179 1.00 0.00 H new ATOM 0 HA ASN A 53 3.036 7.622 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.647 7.959 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.906 7.013 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.665 10.763 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.372 9.991 -2.886 1.00 0.00 H new ATOM 756 N GLY A 54 3.820 10.267 -1.777 1.00 0.00 N ATOM 757 CA GLY A 54 4.188 11.693 -1.998 1.00 0.00 C ATOM 758 C GLY A 54 3.868 12.479 -0.730 1.00 0.00 C ATOM 759 O GLY A 54 4.486 13.485 -0.437 1.00 0.00 O ATOM 0 H GLY A 54 4.291 9.820 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.248 11.778 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.636 12.100 -2.845 1.00 0.00 H new ATOM 763 N LYS A 55 2.899 12.019 0.023 1.00 0.00 N ATOM 764 CA LYS A 55 2.514 12.723 1.284 1.00 0.00 C ATOM 765 C LYS A 55 2.182 11.730 2.407 1.00 0.00 C ATOM 766 O LYS A 55 2.266 12.066 3.574 1.00 0.00 O ATOM 767 CB LYS A 55 1.267 13.551 0.942 1.00 0.00 C ATOM 768 CG LYS A 55 0.369 12.808 -0.060 1.00 0.00 C ATOM 769 CD LYS A 55 0.677 13.286 -1.484 1.00 0.00 C ATOM 770 CE LYS A 55 -0.630 13.449 -2.268 1.00 0.00 C ATOM 771 NZ LYS A 55 -1.047 14.864 -2.046 1.00 0.00 N ATOM 0 H LYS A 55 2.356 11.181 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 55 3.337 13.341 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.705 13.762 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.568 14.511 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.534 11.733 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.680 12.987 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.214 14.234 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.327 12.569 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.481 13.244 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.391 12.754 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.936 15.048 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.189 15.029 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.307 15.504 -2.400 1.00 0.00 H new ATOM 785 N GLN A 56 1.764 10.531 2.074 1.00 0.00 N ATOM 786 CA GLN A 56 1.380 9.554 3.135 1.00 0.00 C ATOM 787 C GLN A 56 2.037 8.186 2.933 1.00 0.00 C ATOM 788 O GLN A 56 2.347 7.784 1.829 1.00 0.00 O ATOM 789 CB GLN A 56 -0.149 9.487 3.008 1.00 0.00 C ATOM 790 CG GLN A 56 -0.624 8.105 2.538 1.00 0.00 C ATOM 791 CD GLN A 56 -1.430 7.430 3.652 1.00 0.00 C ATOM 792 OE1 GLN A 56 -2.630 7.278 3.541 1.00 0.00 O ATOM 793 NE2 GLN A 56 -0.817 7.015 4.729 1.00 0.00 N ATOM 0 H GLN A 56 1.673 10.191 1.117 1.00 0.00 H new ATOM 0 HA GLN A 56 1.712 9.857 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.604 9.719 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.488 10.247 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.237 8.206 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.233 7.487 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.191 7.142 4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.346 6.564 5.475 1.00 0.00 H new ATOM 802 N HIS A 57 2.208 7.464 4.010 1.00 0.00 N ATOM 803 CA HIS A 57 2.800 6.099 3.938 1.00 0.00 C ATOM 804 C HIS A 57 1.659 5.075 3.992 1.00 0.00 C ATOM 805 O HIS A 57 1.148 4.774 5.052 1.00 0.00 O ATOM 806 CB HIS A 57 3.694 5.952 5.187 1.00 0.00 C ATOM 807 CG HIS A 57 4.286 7.277 5.601 1.00 0.00 C ATOM 808 ND1 HIS A 57 3.740 8.039 6.622 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.369 7.983 5.145 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.490 9.149 6.745 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.496 9.165 5.868 1.00 0.00 N ATOM 0 H HIS A 57 1.958 7.770 4.950 1.00 0.00 H new ATOM 0 HA HIS A 57 3.374 5.942 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.108 5.541 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.495 5.242 4.981 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.919 7.801 7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.024 7.669 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.301 9.931 7.465 1.00 0.00 H new ATOM 819 N VAL A 58 1.244 4.551 2.865 1.00 0.00 N ATOM 820 CA VAL A 58 0.121 3.555 2.866 1.00 0.00 C ATOM 821 C VAL A 58 0.685 2.147 3.101 1.00 0.00 C ATOM 822 O VAL A 58 1.275 1.574 2.207 1.00 0.00 O ATOM 823 CB VAL A 58 -0.518 3.660 1.473 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.737 2.737 1.396 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.963 5.105 1.213 1.00 0.00 C ATOM 0 H VAL A 58 1.631 4.767 1.946 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.608 3.748 3.653 1.00 0.00 H new ATOM 0 HB VAL A 58 0.215 3.364 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.189 2.813 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.426 1.708 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.465 3.032 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.415 5.174 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.692 5.403 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.098 5.767 1.263 1.00 0.00 H new ATOM 835 N PRO A 59 0.498 1.637 4.306 1.00 0.00 N ATOM 836 CA PRO A 59 1.021 0.290 4.667 1.00 0.00 C ATOM 837 C PRO A 59 0.291 -0.788 3.877 1.00 0.00 C ATOM 838 O PRO A 59 -0.739 -1.297 4.280 1.00 0.00 O ATOM 839 CB PRO A 59 0.742 0.179 6.165 1.00 0.00 C ATOM 840 CG PRO A 59 -0.392 1.118 6.405 1.00 0.00 C ATOM 841 CD PRO A 59 -0.221 2.250 5.428 1.00 0.00 C ATOM 0 HA PRO A 59 2.079 0.161 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.479 -0.841 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.617 0.455 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.349 0.618 6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.381 1.486 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.182 2.656 5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.345 3.073 5.864 1.00 0.00 H new ATOM 849 N VAL A 60 0.825 -1.116 2.741 1.00 0.00 N ATOM 850 CA VAL A 60 0.187 -2.152 1.872 1.00 0.00 C ATOM 851 C VAL A 60 0.811 -3.530 2.097 1.00 0.00 C ATOM 852 O VAL A 60 1.941 -3.775 1.720 1.00 0.00 O ATOM 853 CB VAL A 60 0.442 -1.710 0.424 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.226 -0.358 0.157 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.952 -1.607 0.154 1.00 0.00 C ATOM 0 H VAL A 60 1.684 -0.711 2.368 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.876 -2.237 2.100 1.00 0.00 H new ATOM 0 HB VAL A 60 0.014 -2.456 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.037 -0.056 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.300 -0.445 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.184 0.391 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.117 -1.293 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.394 -0.876 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.418 -2.579 0.316 1.00 0.00 H new ATOM 865 N TYR A 61 0.079 -4.449 2.671 1.00 0.00 N ATOM 866 CA TYR A 61 0.650 -5.811 2.853 1.00 0.00 C ATOM 867 C TYR A 61 0.701 -6.488 1.486 1.00 0.00 C ATOM 868 O TYR A 61 -0.310 -6.896 0.943 1.00 0.00 O ATOM 869 CB TYR A 61 -0.285 -6.564 3.797 1.00 0.00 C ATOM 870 CG TYR A 61 0.470 -7.739 4.370 1.00 0.00 C ATOM 871 CD1 TYR A 61 0.968 -8.736 3.518 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.683 -7.827 5.747 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.678 -9.814 4.043 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.393 -8.908 6.275 1.00 0.00 C ATOM 875 CZ TYR A 61 1.892 -9.904 5.424 1.00 0.00 C ATOM 876 OH TYR A 61 2.595 -10.971 5.945 1.00 0.00 O ATOM 0 H TYR A 61 -0.872 -4.317 3.015 1.00 0.00 H new ATOM 0 HA TYR A 61 1.656 -5.789 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.629 -5.907 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.171 -6.906 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.801 -8.668 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.299 -7.060 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.063 -10.579 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.558 -8.977 7.340 1.00 0.00 H new ATOM 0 HH TYR A 61 2.869 -11.568 5.218 1.00 0.00 H new ATOM 886 N ILE A 62 1.867 -6.577 0.912 1.00 0.00 N ATOM 887 CA ILE A 62 1.991 -7.188 -0.435 1.00 0.00 C ATOM 888 C ILE A 62 2.125 -8.702 -0.346 1.00 0.00 C ATOM 889 O ILE A 62 2.980 -9.222 0.339 1.00 0.00 O ATOM 890 CB ILE A 62 3.269 -6.583 -1.016 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.147 -5.054 -1.025 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.493 -7.103 -2.443 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.196 -4.455 -0.088 1.00 0.00 C ATOM 0 H ILE A 62 2.742 -6.251 1.322 1.00 0.00 H new ATOM 0 HA ILE A 62 1.111 -6.992 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 62 4.121 -6.873 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.287 -4.673 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.148 -4.756 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.405 -6.667 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.586 -8.189 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.646 -6.823 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.111 -3.368 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.035 -4.827 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.192 -4.742 -0.426 1.00 0.00 H new ATOM 905 N THR A 63 1.306 -9.409 -1.070 1.00 0.00 N ATOM 906 CA THR A 63 1.409 -10.892 -1.083 1.00 0.00 C ATOM 907 C THR A 63 2.318 -11.272 -2.257 1.00 0.00 C ATOM 908 O THR A 63 3.158 -10.490 -2.667 1.00 0.00 O ATOM 909 CB THR A 63 -0.024 -11.413 -1.290 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.483 -11.047 -2.584 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.953 -10.817 -0.230 1.00 0.00 C ATOM 0 H THR A 63 0.566 -9.021 -1.656 1.00 0.00 H new ATOM 0 HA THR A 63 1.827 -11.313 -0.169 1.00 0.00 H new ATOM 0 HB THR A 63 -0.025 -12.499 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.690 -11.855 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.966 -11.190 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.606 -11.106 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.950 -9.730 -0.313 1.00 0.00 H new ATOM 919 N GLU A 64 2.168 -12.439 -2.814 1.00 0.00 N ATOM 920 CA GLU A 64 3.043 -12.815 -3.968 1.00 0.00 C ATOM 921 C GLU A 64 2.433 -12.353 -5.302 1.00 0.00 C ATOM 922 O GLU A 64 2.922 -12.709 -6.359 1.00 0.00 O ATOM 923 CB GLU A 64 3.141 -14.345 -3.943 1.00 0.00 C ATOM 924 CG GLU A 64 1.739 -14.971 -3.972 1.00 0.00 C ATOM 925 CD GLU A 64 1.591 -15.843 -5.220 1.00 0.00 C ATOM 926 OE1 GLU A 64 1.917 -17.016 -5.143 1.00 0.00 O ATOM 927 OE2 GLU A 64 1.155 -15.323 -6.235 1.00 0.00 O ATOM 0 H GLU A 64 1.488 -13.144 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 64 4.020 -12.340 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.719 -14.693 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.672 -14.667 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.579 -15.571 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.980 -14.188 -3.971 1.00 0.00 H new ATOM 934 N ASN A 65 1.370 -11.584 -5.275 1.00 0.00 N ATOM 935 CA ASN A 65 0.748 -11.136 -6.559 1.00 0.00 C ATOM 936 C ASN A 65 0.118 -9.734 -6.431 1.00 0.00 C ATOM 937 O ASN A 65 -0.726 -9.356 -7.222 1.00 0.00 O ATOM 938 CB ASN A 65 -0.311 -12.205 -6.853 1.00 0.00 C ATOM 939 CG ASN A 65 -1.424 -12.152 -5.799 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.321 -12.774 -4.760 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.491 -11.435 -6.025 1.00 0.00 N ATOM 0 H ASN A 65 0.911 -11.251 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 65 1.479 -11.042 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.732 -12.047 -7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.150 -13.193 -6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.237 -11.397 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.579 -10.912 -6.896 1.00 0.00 H new ATOM 948 N MET A 66 0.536 -8.958 -5.460 1.00 0.00 N ATOM 949 CA MET A 66 -0.017 -7.580 -5.295 1.00 0.00 C ATOM 950 C MET A 66 1.039 -6.541 -5.712 1.00 0.00 C ATOM 951 O MET A 66 0.712 -5.445 -6.124 1.00 0.00 O ATOM 952 CB MET A 66 -0.355 -7.469 -3.808 1.00 0.00 C ATOM 953 CG MET A 66 -1.478 -8.450 -3.457 1.00 0.00 C ATOM 954 SD MET A 66 -3.075 -7.603 -3.560 1.00 0.00 S ATOM 955 CE MET A 66 -3.415 -7.957 -5.302 1.00 0.00 C ATOM 0 H MET A 66 1.241 -9.223 -4.772 1.00 0.00 H new ATOM 0 HA MET A 66 -0.894 -7.397 -5.916 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.529 -7.684 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.662 -6.450 -3.570 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.460 -9.299 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.329 -8.846 -2.452 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.234 -7.062 -5.897 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.761 -8.759 -5.645 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.455 -8.264 -5.415 1.00 0.00 H new ATOM 965 N VAL A 67 2.305 -6.888 -5.612 1.00 0.00 N ATOM 966 CA VAL A 67 3.406 -5.938 -6.001 1.00 0.00 C ATOM 967 C VAL A 67 3.385 -5.630 -7.507 1.00 0.00 C ATOM 968 O VAL A 67 2.788 -6.343 -8.292 1.00 0.00 O ATOM 969 CB VAL A 67 4.711 -6.667 -5.643 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.757 -8.032 -6.342 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.908 -5.832 -6.110 1.00 0.00 C ATOM 0 H VAL A 67 2.626 -7.796 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 67 3.296 -4.984 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 67 4.752 -6.808 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.685 -8.542 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.909 -8.635 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.710 -7.890 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.833 -6.349 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.855 -5.692 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.888 -4.860 -5.617 1.00 0.00 H new ATOM 981 N GLY A 68 4.069 -4.580 -7.909 1.00 0.00 N ATOM 982 CA GLY A 68 4.135 -4.228 -9.356 1.00 0.00 C ATOM 983 C GLY A 68 3.619 -2.807 -9.610 1.00 0.00 C ATOM 984 O GLY A 68 3.753 -2.296 -10.706 1.00 0.00 O ATOM 0 H GLY A 68 4.584 -3.954 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.164 -4.311 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.544 -4.940 -9.932 1.00 0.00 H new ATOM 988 N HIS A 69 3.012 -2.162 -8.636 1.00 0.00 N ATOM 989 CA HIS A 69 2.487 -0.795 -8.883 1.00 0.00 C ATOM 990 C HIS A 69 3.071 0.207 -7.880 1.00 0.00 C ATOM 991 O HIS A 69 4.057 0.861 -8.152 1.00 0.00 O ATOM 992 CB HIS A 69 0.967 -0.930 -8.714 1.00 0.00 C ATOM 993 CG HIS A 69 0.415 -1.825 -9.795 1.00 0.00 C ATOM 994 ND1 HIS A 69 -0.580 -1.408 -10.664 1.00 0.00 N ATOM 995 CD2 HIS A 69 0.712 -3.119 -10.161 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.844 -2.429 -11.501 1.00 0.00 C ATOM 997 NE2 HIS A 69 -0.084 -3.496 -11.237 1.00 0.00 N ATOM 0 H HIS A 69 2.863 -2.526 -7.695 1.00 0.00 H new ATOM 0 HA HIS A 69 2.758 -0.419 -9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.735 -1.343 -7.732 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.497 0.052 -8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.451 -3.746 -9.685 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.581 -2.390 -12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.087 -4.394 -11.721 1.00 0.00 H new ATOM 1005 N LYS A 70 2.455 0.334 -6.732 1.00 0.00 N ATOM 1006 CA LYS A 70 2.943 1.295 -5.685 1.00 0.00 C ATOM 1007 C LYS A 70 2.015 1.269 -4.465 1.00 0.00 C ATOM 1008 O LYS A 70 2.430 1.493 -3.346 1.00 0.00 O ATOM 1009 CB LYS A 70 2.936 2.693 -6.327 1.00 0.00 C ATOM 1010 CG LYS A 70 1.699 2.867 -7.212 1.00 0.00 C ATOM 1011 CD LYS A 70 0.560 3.487 -6.400 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.314 4.353 -7.315 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.557 3.559 -7.534 1.00 0.00 N ATOM 0 H LYS A 70 1.623 -0.193 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 70 3.943 1.025 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.946 3.457 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.839 2.832 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.938 3.503 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.389 1.902 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.042 2.702 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.966 4.092 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.537 5.314 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.190 4.563 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.204 4.090 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.315 2.652 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.020 3.380 -6.620 1.00 0.00 H new ATOM 1027 N LEU A 71 0.764 0.991 -4.710 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.282 0.929 -3.632 1.00 0.00 C ATOM 1029 C LEU A 71 -1.690 0.720 -4.244 1.00 0.00 C ATOM 1030 O LEU A 71 -2.622 0.375 -3.544 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.213 2.279 -2.881 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.059 3.346 -3.592 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.424 3.459 -2.909 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.340 4.697 -3.514 1.00 0.00 C ATOM 0 H LEU A 71 0.405 0.796 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.101 0.091 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.568 2.149 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.823 2.613 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.198 3.063 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.022 4.217 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.937 2.498 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.286 3.743 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.938 5.457 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.203 4.977 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.633 4.620 -3.999 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.854 0.929 -5.541 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.191 0.751 -6.186 1.00 0.00 C ATOM 1048 C GLY A 72 -3.547 -0.737 -6.290 1.00 0.00 C ATOM 1049 O GLY A 72 -4.698 -1.089 -6.450 1.00 0.00 O ATOM 0 H GLY A 72 -1.109 1.217 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.953 1.273 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.184 1.199 -7.180 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.578 -1.612 -6.183 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.880 -3.076 -6.255 1.00 0.00 C ATOM 1055 C GLU A 73 -3.307 -3.572 -4.878 1.00 0.00 C ATOM 1056 O GLU A 73 -3.918 -4.614 -4.739 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.569 -3.745 -6.668 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.447 -3.738 -8.188 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.450 -4.725 -8.795 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.223 -5.918 -8.676 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.425 -4.269 -9.368 1.00 0.00 O ATOM 0 H GLU A 73 -1.594 -1.378 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.684 -3.298 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.725 -3.219 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.539 -4.769 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.632 -2.735 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.433 -4.009 -8.482 1.00 0.00 H new ATOM 1068 N PHE A 74 -2.986 -2.817 -3.862 1.00 0.00 N ATOM 1069 CA PHE A 74 -3.357 -3.202 -2.475 1.00 0.00 C ATOM 1070 C PHE A 74 -4.522 -2.324 -2.001 1.00 0.00 C ATOM 1071 O PHE A 74 -5.200 -2.647 -1.044 1.00 0.00 O ATOM 1072 CB PHE A 74 -2.102 -2.948 -1.630 1.00 0.00 C ATOM 1073 CG PHE A 74 -0.854 -3.356 -2.392 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -0.220 -2.438 -3.241 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -0.320 -4.642 -2.241 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.938 -2.803 -3.926 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.837 -5.000 -2.931 1.00 0.00 C ATOM 1078 CZ PHE A 74 1.467 -4.083 -3.768 1.00 0.00 C ATOM 0 H PHE A 74 -2.475 -1.938 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.678 -4.241 -2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.044 -1.893 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.165 -3.509 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.629 -1.446 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.804 -5.355 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.425 -2.094 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.246 -5.993 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.367 -4.364 -4.296 1.00 0.00 H new ATOM 1088 N ALA A 75 -4.766 -1.223 -2.680 1.00 0.00 N ATOM 1089 CA ALA A 75 -5.892 -0.327 -2.295 1.00 0.00 C ATOM 1090 C ALA A 75 -6.651 0.124 -3.554 1.00 0.00 C ATOM 1091 O ALA A 75 -6.827 1.309 -3.777 1.00 0.00 O ATOM 1092 CB ALA A 75 -5.224 0.864 -1.603 1.00 0.00 C ATOM 0 H ALA A 75 -4.226 -0.911 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.618 -0.815 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.987 1.575 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.670 0.515 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.539 1.351 -2.297 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.083 -0.841 -4.345 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.828 -0.532 -5.588 1.00 0.00 C ATOM 1100 C PRO A 76 -9.318 -0.331 -5.282 1.00 0.00 C ATOM 1101 O PRO A 76 -10.180 -0.923 -5.903 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.601 -1.770 -6.452 1.00 0.00 C ATOM 1103 CG PRO A 76 -7.311 -2.888 -5.494 1.00 0.00 C ATOM 1104 CD PRO A 76 -6.921 -2.288 -4.165 1.00 0.00 C ATOM 0 HA PRO A 76 -7.498 0.385 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.480 -1.991 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.770 -1.619 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.187 -3.526 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.507 -3.516 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.556 -2.660 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.894 -2.541 -3.903 1.00 0.00 H new ATOM 1112 N THR A 77 -9.617 0.509 -4.325 1.00 0.00 N ATOM 1113 CA THR A 77 -11.046 0.769 -3.958 1.00 0.00 C ATOM 1114 C THR A 77 -11.771 1.474 -5.112 1.00 0.00 C ATOM 1115 O THR A 77 -12.879 1.117 -5.467 1.00 0.00 O ATOM 1116 CB THR A 77 -10.989 1.674 -2.720 1.00 0.00 C ATOM 1117 OG1 THR A 77 -10.232 1.034 -1.700 1.00 0.00 O ATOM 1118 CG2 THR A 77 -12.406 1.942 -2.210 1.00 0.00 C ATOM 0 H THR A 77 -8.931 1.030 -3.778 1.00 0.00 H new ATOM 0 HA THR A 77 -11.592 -0.153 -3.758 1.00 0.00 H new ATOM 0 HB THR A 77 -10.517 2.620 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.194 1.612 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.361 2.585 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.986 2.434 -2.990 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.882 0.998 -1.945 1.00 0.00 H new ATOM 1126 N ARG A 78 -11.150 2.466 -5.695 1.00 0.00 N ATOM 1127 CA ARG A 78 -11.789 3.200 -6.829 1.00 0.00 C ATOM 1128 C ARG A 78 -10.760 3.469 -7.932 1.00 0.00 C ATOM 1129 O ARG A 78 -9.625 3.819 -7.662 1.00 0.00 O ATOM 1130 CB ARG A 78 -12.286 4.517 -6.224 1.00 0.00 C ATOM 1131 CG ARG A 78 -13.813 4.579 -6.309 1.00 0.00 C ATOM 1132 CD ARG A 78 -14.235 4.968 -7.730 1.00 0.00 C ATOM 1133 NE ARG A 78 -14.827 3.728 -8.313 1.00 0.00 N ATOM 1134 CZ ARG A 78 -16.125 3.576 -8.349 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -16.720 2.835 -7.450 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -16.826 4.164 -9.283 1.00 0.00 N ATOM 0 H ARG A 78 -10.223 2.801 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.600 2.631 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.966 4.595 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.848 5.361 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.241 3.612 -6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.198 5.305 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.959 5.782 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.381 5.310 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.218 2.998 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.171 2.377 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.733 2.715 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.360 4.741 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.839 4.046 -9.311 1.00 0.00 H new ATOM 1150 N THR A 79 -11.149 3.309 -9.173 1.00 0.00 N ATOM 1151 CA THR A 79 -10.198 3.556 -10.300 1.00 0.00 C ATOM 1152 C THR A 79 -10.145 5.054 -10.625 1.00 0.00 C ATOM 1153 O THR A 79 -11.052 5.599 -11.227 1.00 0.00 O ATOM 1154 CB THR A 79 -10.758 2.759 -11.487 1.00 0.00 C ATOM 1155 OG1 THR A 79 -10.854 1.385 -11.132 1.00 0.00 O ATOM 1156 CG2 THR A 79 -9.829 2.909 -12.695 1.00 0.00 C ATOM 0 H THR A 79 -12.085 3.018 -9.454 1.00 0.00 H new ATOM 0 HA THR A 79 -9.181 3.248 -10.057 1.00 0.00 H new ATOM 0 HB THR A 79 -11.746 3.141 -11.743 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.213 0.876 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.230 2.342 -13.535 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.756 3.961 -12.969 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.839 2.531 -12.442 1.00 0.00 H new ATOM 1164 N TYR A 80 -9.083 5.718 -10.225 1.00 0.00 N ATOM 1165 CA TYR A 80 -8.943 7.187 -10.494 1.00 0.00 C ATOM 1166 C TYR A 80 -10.168 7.951 -9.977 1.00 0.00 C ATOM 1167 O TYR A 80 -10.551 7.825 -8.830 1.00 0.00 O ATOM 1168 CB TYR A 80 -8.831 7.312 -12.019 1.00 0.00 C ATOM 1169 CG TYR A 80 -7.544 8.020 -12.374 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -6.368 7.283 -12.557 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -7.529 9.412 -12.524 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -5.176 7.939 -12.889 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -6.338 10.067 -12.855 1.00 0.00 C ATOM 1174 CZ TYR A 80 -5.161 9.332 -13.037 1.00 0.00 C ATOM 1175 OH TYR A 80 -3.986 9.977 -13.365 1.00 0.00 O ATOM 0 H TYR A 80 -8.301 5.301 -9.720 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.075 7.610 -9.988 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.853 6.324 -12.478 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.683 7.866 -12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.380 6.209 -12.442 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.437 9.980 -12.384 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.268 7.371 -13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.327 11.141 -12.970 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.149 10.941 -13.430 1.00 0.00 H new TER 1185 TYR A 80