USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 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 61 GLN : amide:sc= -0.397 K(o=-0.4,f=0.49) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 25 GLN : amide:sc= -2.27! C(o=-1.2!,f=-11!) USER MOD Set 3.2: A 43 THR OG1 : rot -72:sc= 1.1 USER MOD Set 4.1: A 20 GLN : amide:sc= -0.203 X(o=-0.33,f=-0.29) USER MOD Set 4.2: A 45 THR OG1 : rot -100:sc= -0.127 USER MOD Single : A 13 ASN : amide:sc= -0.943 X(o=-0.94,f=-0.6) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= -2.28 (180deg=-4.71!) USER MOD Single : A 27 THR OG1 : rot 100:sc= -0.29 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.264 (180deg=-0.831) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0.0228 (180deg=-0.103) USER MOD Single : A 46 MET CE :methyl 147:sc= -5.67! (180deg=-7.53!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-4.9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 0.12 (180deg=0.0308) USER MOD Single : A 67 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 68 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.81) USER MOD Single : A 69 HIS : no HD1:sc= -1 K(o=-1,f=-2.4!) USER MOD Single : A 72 HIS : no HD1:sc= -5 K(o=-5,f=-4.4!) USER MOD Single : A 73 CYS SG : rot -122:sc= -0.483 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.00428 X(o=-0.0043,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.0783 (180deg=-0.509) USER MOD Single : A 92 HIS : no HE2:sc= -0.719 X(o=-0.72,f=-0.4) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -67:sc= 0.617 USER MOD Single : A 102 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -3.1! C(o=-3.1!,f=-2.5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 -24.785 7.010 -4.071 1.00 1.00 N ATOM 2 CA ASN A 13 -23.902 8.175 -3.800 1.00 1.00 C ATOM 3 C ASN A 13 -23.535 8.899 -5.091 1.00 1.00 C ATOM 4 O ASN A 13 -23.277 8.269 -6.117 1.00 1.00 O ATOM 5 CB ASN A 13 -22.638 7.675 -3.098 1.00 1.00 C ATOM 6 CG ASN A 13 -21.929 6.591 -3.886 1.00 1.00 C ATOM 7 OD1 ASN A 13 -22.411 6.148 -4.928 1.00 1.00 O ATOM 8 ND2 ASN A 13 -20.776 6.157 -3.390 1.00 1.00 N ATOM 0 HA ASN A 13 -24.430 8.885 -3.163 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -21.957 8.512 -2.943 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -22.901 7.291 -2.112 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -20.254 5.428 -3.876 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -20.413 6.552 -2.523 1.00 1.00 H new ATOM 17 N HIS A 14 -23.513 10.227 -5.033 1.00 1.00 N ATOM 18 CA HIS A 14 -23.178 11.037 -6.198 1.00 1.00 C ATOM 19 C HIS A 14 -21.670 11.251 -6.296 1.00 1.00 C ATOM 20 O HIS A 14 -20.960 11.202 -5.292 1.00 1.00 O ATOM 21 CB HIS A 14 -23.895 12.388 -6.129 1.00 1.00 C ATOM 22 CG HIS A 14 -25.116 12.461 -6.993 1.00 1.00 C ATOM 23 ND1 HIS A 14 -26.043 11.442 -7.075 1.00 1.00 N ATOM 24 CD2 HIS A 14 -25.562 13.439 -7.817 1.00 1.00 C ATOM 25 CE1 HIS A 14 -27.004 11.790 -7.911 1.00 1.00 C ATOM 26 NE2 HIS A 14 -26.736 12.997 -8.374 1.00 1.00 N ATOM 0 H HIS A 14 -23.723 10.764 -4.192 1.00 1.00 H new ATOM 0 HA HIS A 14 -23.509 10.503 -7.089 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -24.178 12.588 -5.096 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -23.201 13.174 -6.427 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -25.083 14.389 -8.001 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -27.863 11.190 -8.172 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -27.309 13.517 -9.038 1.00 1.00 H new ATOM 35 N ILE A 15 -21.189 11.488 -7.512 1.00 1.00 N ATOM 36 CA ILE A 15 -19.766 11.709 -7.741 1.00 1.00 C ATOM 37 C ILE A 15 -19.400 13.176 -7.543 1.00 1.00 C ATOM 38 O ILE A 15 -18.423 13.496 -6.867 1.00 1.00 O ATOM 39 CB ILE A 15 -19.351 11.275 -9.160 1.00 1.00 C ATOM 40 CG1 ILE A 15 -19.883 9.874 -9.465 1.00 1.00 C ATOM 41 CG2 ILE A 15 -17.837 11.316 -9.304 1.00 1.00 C ATOM 42 CD1 ILE A 15 -19.856 9.525 -10.937 1.00 1.00 C ATOM 0 H ILE A 15 -21.764 11.532 -8.354 1.00 1.00 H new ATOM 0 HA ILE A 15 -19.230 11.101 -7.012 1.00 1.00 H new ATOM 0 HB ILE A 15 -19.784 11.971 -9.878 1.00 1.00 H new ATOM 0 HG12 ILE A 15 -19.292 9.142 -8.915 1.00 1.00 H new ATOM 0 HG13 ILE A 15 -20.907 9.795 -9.100 1.00 1.00 H new ATOM 0 HG21 ILE A 15 -17.559 11.007 -10.312 1.00 1.00 H new ATOM 0 HG22 ILE A 15 -17.482 12.331 -9.125 1.00 1.00 H new ATOM 0 HG23 ILE A 15 -17.384 10.640 -8.579 1.00 1.00 H new ATOM 0 HD11 ILE A 15 -20.247 8.518 -11.079 1.00 1.00 H new ATOM 0 HD12 ILE A 15 -20.471 10.235 -11.491 1.00 1.00 H new ATOM 0 HD13 ILE A 15 -18.830 9.571 -11.303 1.00 1.00 H new ATOM 54 N SER A 16 -20.192 14.064 -8.139 1.00 1.00 N ATOM 55 CA SER A 16 -19.949 15.507 -8.029 1.00 1.00 C ATOM 56 C SER A 16 -18.690 15.904 -8.792 1.00 1.00 C ATOM 57 O SER A 16 -18.758 16.612 -9.796 1.00 1.00 O ATOM 58 CB SER A 16 -19.815 15.915 -6.559 1.00 1.00 C ATOM 59 OG SER A 16 -20.835 15.326 -5.771 1.00 1.00 O ATOM 0 H SER A 16 -21.005 13.815 -8.702 1.00 1.00 H new ATOM 0 HA SER A 16 -20.801 16.027 -8.467 1.00 1.00 H new ATOM 0 HB2 SER A 16 -18.839 15.611 -6.182 1.00 1.00 H new ATOM 0 HB3 SER A 16 -19.866 17.000 -6.474 1.00 1.00 H new ATOM 0 HG SER A 16 -20.726 15.601 -4.837 1.00 1.00 H new ATOM 65 N THR A 17 -17.540 15.442 -8.310 1.00 1.00 N ATOM 66 CA THR A 17 -16.266 15.749 -8.948 1.00 1.00 C ATOM 67 C THR A 17 -15.199 14.734 -8.548 1.00 1.00 C ATOM 68 O THR A 17 -14.451 14.240 -9.392 1.00 1.00 O ATOM 69 CB THR A 17 -15.810 17.159 -8.572 1.00 1.00 C ATOM 70 OG1 THR A 17 -14.489 17.396 -9.025 1.00 1.00 O ATOM 71 CG2 THR A 17 -15.837 17.418 -7.082 1.00 1.00 C ATOM 0 H THR A 17 -17.465 14.854 -7.480 1.00 1.00 H new ATOM 0 HA THR A 17 -16.407 15.696 -10.028 1.00 1.00 H new ATOM 0 HB THR A 17 -16.520 17.831 -9.055 1.00 1.00 H new ATOM 0 HG1 THR A 17 -14.216 18.304 -8.776 1.00 1.00 H new ATOM 0 HG21 THR A 17 -15.502 18.436 -6.884 1.00 1.00 H new ATOM 0 HG22 THR A 17 -16.853 17.291 -6.709 1.00 1.00 H new ATOM 0 HG23 THR A 17 -15.175 16.714 -6.578 1.00 1.00 H new ATOM 79 N SER A 18 -15.135 14.429 -7.257 1.00 1.00 N ATOM 80 CA SER A 18 -14.160 13.473 -6.746 1.00 1.00 C ATOM 81 C SER A 18 -14.831 12.153 -6.380 1.00 1.00 C ATOM 82 O SER A 18 -15.481 12.042 -5.341 1.00 1.00 O ATOM 83 CB SER A 18 -13.442 14.049 -5.524 1.00 1.00 C ATOM 84 OG SER A 18 -14.292 14.917 -4.794 1.00 1.00 O ATOM 0 H SER A 18 -15.746 14.830 -6.545 1.00 1.00 H new ATOM 0 HA SER A 18 -13.430 13.282 -7.532 1.00 1.00 H new ATOM 0 HB2 SER A 18 -13.107 13.237 -4.879 1.00 1.00 H new ATOM 0 HB3 SER A 18 -12.552 14.591 -5.843 1.00 1.00 H new ATOM 0 HG SER A 18 -13.810 15.270 -4.017 1.00 1.00 H new ATOM 90 N ASP A 19 -14.666 11.153 -7.241 1.00 1.00 N ATOM 91 CA ASP A 19 -15.255 9.840 -7.008 1.00 1.00 C ATOM 92 C ASP A 19 -14.689 9.206 -5.740 1.00 1.00 C ATOM 93 O ASP A 19 -15.350 8.395 -5.092 1.00 1.00 O ATOM 94 CB ASP A 19 -15.001 8.923 -8.206 1.00 1.00 C ATOM 95 CG ASP A 19 -13.537 8.874 -8.598 1.00 1.00 C ATOM 96 OD1 ASP A 19 -12.690 8.666 -7.705 1.00 1.00 O ATOM 97 OD2 ASP A 19 -13.239 9.041 -9.800 1.00 1.00 O ATOM 0 H ASP A 19 -14.130 11.228 -8.105 1.00 1.00 H new ATOM 0 HA ASP A 19 -16.330 9.970 -6.880 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -15.344 7.916 -7.968 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -15.590 9.268 -9.056 1.00 1.00 H new ATOM 102 N GLN A 20 -13.462 9.581 -5.392 1.00 1.00 N ATOM 103 CA GLN A 20 -12.807 9.050 -4.204 1.00 1.00 C ATOM 104 C GLN A 20 -13.416 9.652 -2.938 1.00 1.00 C ATOM 105 O GLN A 20 -13.407 10.868 -2.752 1.00 1.00 O ATOM 106 CB GLN A 20 -11.300 9.334 -4.269 1.00 1.00 C ATOM 107 CG GLN A 20 -10.615 9.406 -2.912 1.00 1.00 C ATOM 108 CD GLN A 20 -9.124 9.656 -3.023 1.00 1.00 C ATOM 109 OE1 GLN A 20 -8.595 10.597 -2.431 1.00 1.00 O ATOM 110 NE2 GLN A 20 -8.437 8.812 -3.784 1.00 1.00 N ATOM 0 H GLN A 20 -12.901 10.252 -5.918 1.00 1.00 H new ATOM 0 HA GLN A 20 -12.960 7.971 -4.170 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -10.821 8.556 -4.863 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -11.143 10.277 -4.792 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -11.070 10.201 -2.322 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -10.784 8.473 -2.374 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -8.916 8.046 -4.257 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -7.430 8.930 -3.896 1.00 1.00 H new ATOM 119 N GLU A 21 -13.941 8.790 -2.071 1.00 1.00 N ATOM 120 CA GLU A 21 -14.549 9.239 -0.825 1.00 1.00 C ATOM 121 C GLU A 21 -14.473 8.154 0.245 1.00 1.00 C ATOM 122 O GLU A 21 -15.338 8.065 1.116 1.00 1.00 O ATOM 123 CB GLU A 21 -16.006 9.643 -1.059 1.00 1.00 C ATOM 124 CG GLU A 21 -16.162 10.843 -1.978 1.00 1.00 C ATOM 125 CD GLU A 21 -17.479 11.567 -1.774 1.00 1.00 C ATOM 126 OE1 GLU A 21 -17.572 12.374 -0.826 1.00 1.00 O ATOM 127 OE2 GLU A 21 -18.417 11.326 -2.563 1.00 1.00 O ATOM 0 H GLU A 21 -13.957 7.780 -2.209 1.00 1.00 H new ATOM 0 HA GLU A 21 -13.991 10.107 -0.473 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -16.546 8.797 -1.485 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -16.471 9.867 -0.099 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -15.340 11.537 -1.806 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -16.089 10.514 -3.015 1.00 1.00 H new ATOM 134 N LYS A 22 -13.427 7.339 0.177 1.00 1.00 N ATOM 135 CA LYS A 22 -13.227 6.266 1.143 1.00 1.00 C ATOM 136 C LYS A 22 -11.740 6.073 1.418 1.00 1.00 C ATOM 137 O LYS A 22 -10.938 5.966 0.490 1.00 1.00 O ATOM 138 CB LYS A 22 -13.864 4.959 0.649 1.00 1.00 C ATOM 139 CG LYS A 22 -13.073 4.243 -0.436 1.00 1.00 C ATOM 140 CD LYS A 22 -13.156 4.982 -1.759 1.00 1.00 C ATOM 141 CE LYS A 22 -11.809 5.020 -2.463 1.00 1.00 C ATOM 142 NZ LYS A 22 -11.555 6.338 -3.106 1.00 1.00 N ATOM 0 H LYS A 22 -12.703 7.401 -0.539 1.00 1.00 H new ATOM 0 HA LYS A 22 -13.718 6.546 2.075 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -13.985 4.285 1.497 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -14.862 5.177 0.270 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -12.030 4.156 -0.131 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -13.455 3.230 -0.559 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -13.890 4.497 -2.402 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.506 6.000 -1.587 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -11.018 4.809 -1.744 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -11.772 4.235 -3.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -10.548 6.581 -3.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -11.809 6.287 -4.113 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -12.131 7.068 -2.640 1.00 1.00 H new ATOM 156 N LEU A 23 -11.368 6.049 2.695 1.00 1.00 N ATOM 157 CA LEU A 23 -9.968 5.891 3.068 1.00 1.00 C ATOM 158 C LEU A 23 -9.741 4.668 3.953 1.00 1.00 C ATOM 159 O LEU A 23 -10.652 4.188 4.636 1.00 1.00 O ATOM 160 CB LEU A 23 -9.461 7.145 3.791 1.00 1.00 C ATOM 161 CG LEU A 23 -10.070 8.470 3.317 1.00 1.00 C ATOM 162 CD1 LEU A 23 -10.707 9.213 4.481 1.00 1.00 C ATOM 163 CD2 LEU A 23 -9.012 9.337 2.649 1.00 1.00 C ATOM 0 H LEU A 23 -12.011 6.136 3.482 1.00 1.00 H new ATOM 0 HA LEU A 23 -9.409 5.746 2.144 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.660 7.034 4.857 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -8.379 7.199 3.673 1.00 1.00 H new ATOM 0 HG LEU A 23 -10.846 8.246 2.585 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -11.134 10.151 4.124 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -11.495 8.599 4.917 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.950 9.423 5.237 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -9.463 10.273 2.319 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -8.214 9.550 3.360 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -8.600 8.810 1.788 1.00 1.00 H new ATOM 175 N VAL A 24 -8.503 4.186 3.946 1.00 1.00 N ATOM 176 CA VAL A 24 -8.112 3.040 4.754 1.00 1.00 C ATOM 177 C VAL A 24 -6.966 3.439 5.682 1.00 1.00 C ATOM 178 O VAL A 24 -6.290 4.439 5.437 1.00 1.00 O ATOM 179 CB VAL A 24 -7.689 1.832 3.885 1.00 1.00 C ATOM 180 CG1 VAL A 24 -8.894 0.954 3.585 1.00 1.00 C ATOM 181 CG2 VAL A 24 -7.020 2.286 2.591 1.00 1.00 C ATOM 0 H VAL A 24 -7.747 4.577 3.383 1.00 1.00 H new ATOM 0 HA VAL A 24 -8.979 2.733 5.339 1.00 1.00 H new ATOM 0 HB VAL A 24 -6.959 1.249 4.447 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -8.584 0.107 2.973 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -9.320 0.589 4.520 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -9.643 1.535 3.047 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -6.735 1.413 2.003 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -7.716 2.898 2.017 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -6.131 2.871 2.827 1.00 1.00 H new ATOM 191 N GLN A 25 -6.756 2.684 6.757 1.00 1.00 N ATOM 192 CA GLN A 25 -5.698 3.012 7.707 1.00 1.00 C ATOM 193 C GLN A 25 -4.714 1.856 7.889 1.00 1.00 C ATOM 194 O GLN A 25 -4.995 0.898 8.607 1.00 1.00 O ATOM 195 CB GLN A 25 -6.313 3.396 9.056 1.00 1.00 C ATOM 196 CG GLN A 25 -5.289 3.716 10.134 1.00 1.00 C ATOM 197 CD GLN A 25 -5.094 5.206 10.331 1.00 1.00 C ATOM 198 OE1 GLN A 25 -5.771 6.021 9.704 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.164 5.571 11.206 1.00 1.00 N ATOM 0 H GLN A 25 -7.297 1.851 6.990 1.00 1.00 H new ATOM 0 HA GLN A 25 -5.139 3.856 7.303 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -6.960 4.262 8.915 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -6.945 2.578 9.401 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -5.606 3.268 11.075 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -4.335 3.261 9.870 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.626 4.862 11.704 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -3.988 6.560 11.380 1.00 1.00 H new ATOM 208 N PRO A 26 -3.536 1.940 7.243 1.00 1.00 N ATOM 209 CA PRO A 26 -2.498 0.905 7.344 1.00 1.00 C ATOM 210 C PRO A 26 -1.980 0.749 8.769 1.00 1.00 C ATOM 211 O PRO A 26 -2.240 1.591 9.630 1.00 1.00 O ATOM 212 CB PRO A 26 -1.374 1.428 6.439 1.00 1.00 C ATOM 213 CG PRO A 26 -2.032 2.420 5.543 1.00 1.00 C ATOM 214 CD PRO A 26 -3.115 3.047 6.369 1.00 1.00 C ATOM 0 HA PRO A 26 -2.878 -0.075 7.056 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -0.579 1.891 7.024 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -0.919 0.619 5.867 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -1.320 3.169 5.196 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -2.444 1.937 4.657 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -2.746 3.898 6.942 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -3.936 3.410 5.752 1.00 1.00 H new ATOM 222 N THR A 27 -1.231 -0.321 9.009 1.00 1.00 N ATOM 223 CA THR A 27 -0.660 -0.571 10.326 1.00 1.00 C ATOM 224 C THR A 27 0.607 0.259 10.510 1.00 1.00 C ATOM 225 O THR A 27 1.215 0.693 9.531 1.00 1.00 O ATOM 226 CB THR A 27 -0.341 -2.058 10.497 1.00 1.00 C ATOM 227 OG1 THR A 27 0.388 -2.545 9.386 1.00 1.00 O ATOM 228 CG2 THR A 27 -1.573 -2.922 10.652 1.00 1.00 C ATOM 0 H THR A 27 -1.005 -1.028 8.309 1.00 1.00 H new ATOM 0 HA THR A 27 -1.389 -0.282 11.083 1.00 1.00 H new ATOM 0 HB THR A 27 0.245 -2.123 11.414 1.00 1.00 H new ATOM 0 HG1 THR A 27 1.341 -2.587 9.613 1.00 1.00 H new ATOM 0 HG21 THR A 27 -1.274 -3.964 10.769 1.00 1.00 H new ATOM 0 HG22 THR A 27 -2.132 -2.604 11.532 1.00 1.00 H new ATOM 0 HG23 THR A 27 -2.201 -2.822 9.767 1.00 1.00 H new ATOM 236 N PRO A 28 1.030 0.494 11.763 1.00 1.00 N ATOM 237 CA PRO A 28 2.232 1.275 12.055 1.00 1.00 C ATOM 238 C PRO A 28 3.407 0.867 11.171 1.00 1.00 C ATOM 239 O PRO A 28 4.273 1.684 10.856 1.00 1.00 O ATOM 240 CB PRO A 28 2.528 0.967 13.533 1.00 1.00 C ATOM 241 CG PRO A 28 1.541 -0.081 13.944 1.00 1.00 C ATOM 242 CD PRO A 28 0.385 0.023 12.991 1.00 1.00 C ATOM 0 HA PRO A 28 2.083 2.337 11.862 1.00 1.00 H new ATOM 0 HB2 PRO A 28 3.550 0.611 13.660 1.00 1.00 H new ATOM 0 HB3 PRO A 28 2.424 1.862 14.146 1.00 1.00 H new ATOM 0 HG2 PRO A 28 1.990 -1.074 13.903 1.00 1.00 H new ATOM 0 HG3 PRO A 28 1.212 0.078 14.971 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -0.110 -0.937 12.847 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -0.372 0.722 13.346 1.00 1.00 H new ATOM 250 N LEU A 29 3.423 -0.398 10.763 1.00 1.00 N ATOM 251 CA LEU A 29 4.483 -0.910 9.903 1.00 1.00 C ATOM 252 C LEU A 29 4.265 -0.447 8.467 1.00 1.00 C ATOM 253 O LEU A 29 5.135 0.189 7.869 1.00 1.00 O ATOM 254 CB LEU A 29 4.530 -2.438 9.964 1.00 1.00 C ATOM 255 CG LEU A 29 5.708 -3.084 9.231 1.00 1.00 C ATOM 256 CD1 LEU A 29 7.017 -2.416 9.624 1.00 1.00 C ATOM 257 CD2 LEU A 29 5.760 -4.576 9.522 1.00 1.00 C ATOM 0 H LEU A 29 2.714 -1.087 11.014 1.00 1.00 H new ATOM 0 HA LEU A 29 5.437 -0.519 10.258 1.00 1.00 H new ATOM 0 HB2 LEU A 29 4.562 -2.743 11.010 1.00 1.00 H new ATOM 0 HB3 LEU A 29 3.603 -2.831 9.546 1.00 1.00 H new ATOM 0 HG LEU A 29 5.564 -2.946 8.159 1.00 1.00 H new ATOM 0 HD11 LEU A 29 7.842 -2.890 9.092 1.00 1.00 H new ATOM 0 HD12 LEU A 29 6.978 -1.358 9.364 1.00 1.00 H new ATOM 0 HD13 LEU A 29 7.171 -2.520 10.698 1.00 1.00 H new ATOM 0 HD21 LEU A 29 6.603 -5.021 8.993 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.880 -4.734 10.594 1.00 1.00 H new ATOM 0 HD23 LEU A 29 4.834 -5.044 9.188 1.00 1.00 H new ATOM 269 N LEU A 30 3.089 -0.753 7.924 1.00 1.00 N ATOM 270 CA LEU A 30 2.749 -0.350 6.564 1.00 1.00 C ATOM 271 C LEU A 30 2.871 1.163 6.426 1.00 1.00 C ATOM 272 O LEU A 30 3.305 1.677 5.395 1.00 1.00 O ATOM 273 CB LEU A 30 1.328 -0.800 6.215 1.00 1.00 C ATOM 274 CG LEU A 30 0.962 -0.719 4.730 1.00 1.00 C ATOM 275 CD1 LEU A 30 2.062 -1.323 3.870 1.00 1.00 C ATOM 276 CD2 LEU A 30 -0.364 -1.420 4.472 1.00 1.00 C ATOM 0 H LEU A 30 2.358 -1.277 8.404 1.00 1.00 H new ATOM 0 HA LEU A 30 3.443 -0.827 5.872 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.198 -1.830 6.549 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.623 -0.191 6.780 1.00 1.00 H new ATOM 0 HG LEU A 30 0.857 0.332 4.459 1.00 1.00 H new ATOM 0 HD11 LEU A 30 1.781 -1.255 2.819 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.992 -0.778 4.033 1.00 1.00 H new ATOM 0 HD13 LEU A 30 2.202 -2.369 4.141 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.610 -1.354 3.412 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.284 -2.468 4.761 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.149 -0.941 5.058 1.00 1.00 H new ATOM 288 N LEU A 31 2.492 1.865 7.489 1.00 1.00 N ATOM 289 CA LEU A 31 2.559 3.323 7.524 1.00 1.00 C ATOM 290 C LEU A 31 3.952 3.820 7.140 1.00 1.00 C ATOM 291 O LEU A 31 4.116 4.539 6.154 1.00 1.00 O ATOM 292 CB LEU A 31 2.199 3.826 8.925 1.00 1.00 C ATOM 293 CG LEU A 31 0.801 4.427 9.060 1.00 1.00 C ATOM 294 CD1 LEU A 31 0.530 4.830 10.502 1.00 1.00 C ATOM 295 CD2 LEU A 31 0.647 5.621 8.133 1.00 1.00 C ATOM 0 H LEU A 31 2.132 1.444 8.345 1.00 1.00 H new ATOM 0 HA LEU A 31 1.845 3.714 6.799 1.00 1.00 H new ATOM 0 HB2 LEU A 31 2.290 2.996 9.626 1.00 1.00 H new ATOM 0 HB3 LEU A 31 2.931 4.577 9.223 1.00 1.00 H new ATOM 0 HG LEU A 31 0.070 3.671 8.773 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -0.470 5.256 10.579 1.00 1.00 H new ATOM 0 HD12 LEU A 31 0.601 3.952 11.145 1.00 1.00 H new ATOM 0 HD13 LEU A 31 1.265 5.571 10.817 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.354 6.038 8.241 1.00 1.00 H new ATOM 0 HD22 LEU A 31 1.386 6.380 8.391 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.799 5.303 7.102 1.00 1.00 H new ATOM 307 N SER A 32 4.952 3.434 7.931 1.00 1.00 N ATOM 308 CA SER A 32 6.335 3.841 7.684 1.00 1.00 C ATOM 309 C SER A 32 6.716 3.653 6.219 1.00 1.00 C ATOM 310 O SER A 32 7.390 4.500 5.634 1.00 1.00 O ATOM 311 CB SER A 32 7.289 3.045 8.577 1.00 1.00 C ATOM 312 OG SER A 32 8.641 3.307 8.240 1.00 1.00 O ATOM 0 H SER A 32 4.830 2.839 8.750 1.00 1.00 H new ATOM 0 HA SER A 32 6.418 4.901 7.923 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.115 3.303 9.622 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.085 1.979 8.473 1.00 1.00 H new ATOM 0 HG SER A 32 9.231 2.788 8.826 1.00 1.00 H new ATOM 318 N LEU A 33 6.274 2.547 5.623 1.00 1.00 N ATOM 319 CA LEU A 33 6.576 2.284 4.217 1.00 1.00 C ATOM 320 C LEU A 33 6.072 3.440 3.366 1.00 1.00 C ATOM 321 O LEU A 33 6.762 3.912 2.462 1.00 1.00 O ATOM 322 CB LEU A 33 5.944 0.970 3.740 1.00 1.00 C ATOM 323 CG LEU A 33 5.747 -0.102 4.816 1.00 1.00 C ATOM 324 CD1 LEU A 33 5.271 -1.405 4.190 1.00 1.00 C ATOM 325 CD2 LEU A 33 7.037 -0.325 5.592 1.00 1.00 C ATOM 0 H LEU A 33 5.714 1.829 6.083 1.00 1.00 H new ATOM 0 HA LEU A 33 7.657 2.189 4.113 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.974 1.195 3.296 1.00 1.00 H new ATOM 0 HB3 LEU A 33 6.568 0.554 2.949 1.00 1.00 H new ATOM 0 HG LEU A 33 4.983 0.247 5.511 1.00 1.00 H new ATOM 0 HD11 LEU A 33 5.136 -2.155 4.969 1.00 1.00 H new ATOM 0 HD12 LEU A 33 4.323 -1.238 3.679 1.00 1.00 H new ATOM 0 HD13 LEU A 33 6.013 -1.756 3.473 1.00 1.00 H new ATOM 0 HD21 LEU A 33 6.877 -1.090 6.352 1.00 1.00 H new ATOM 0 HD22 LEU A 33 7.821 -0.651 4.909 1.00 1.00 H new ATOM 0 HD23 LEU A 33 7.338 0.606 6.072 1.00 1.00 H new ATOM 337 N LEU A 34 4.870 3.909 3.687 1.00 1.00 N ATOM 338 CA LEU A 34 4.276 5.033 2.980 1.00 1.00 C ATOM 339 C LEU A 34 5.038 6.302 3.322 1.00 1.00 C ATOM 340 O LEU A 34 5.373 7.102 2.449 1.00 1.00 O ATOM 341 CB LEU A 34 2.803 5.191 3.368 1.00 1.00 C ATOM 342 CG LEU A 34 1.965 3.919 3.247 1.00 1.00 C ATOM 343 CD1 LEU A 34 0.719 4.014 4.114 1.00 1.00 C ATOM 344 CD2 LEU A 34 1.593 3.670 1.793 1.00 1.00 C ATOM 0 H LEU A 34 4.290 3.526 4.433 1.00 1.00 H new ATOM 0 HA LEU A 34 4.334 4.849 1.907 1.00 1.00 H new ATOM 0 HB2 LEU A 34 2.750 5.547 4.397 1.00 1.00 H new ATOM 0 HB3 LEU A 34 2.358 5.963 2.740 1.00 1.00 H new ATOM 0 HG LEU A 34 2.559 3.076 3.600 1.00 1.00 H new ATOM 0 HD11 LEU A 34 0.136 3.099 4.014 1.00 1.00 H new ATOM 0 HD12 LEU A 34 1.010 4.147 5.156 1.00 1.00 H new ATOM 0 HD13 LEU A 34 0.117 4.865 3.794 1.00 1.00 H new ATOM 0 HD21 LEU A 34 0.996 2.761 1.721 1.00 1.00 H new ATOM 0 HD22 LEU A 34 1.016 4.514 1.415 1.00 1.00 H new ATOM 0 HD23 LEU A 34 2.500 3.557 1.200 1.00 1.00 H new ATOM 356 N LYS A 35 5.316 6.466 4.611 1.00 1.00 N ATOM 357 CA LYS A 35 6.049 7.622 5.109 1.00 1.00 C ATOM 358 C LYS A 35 7.299 7.876 4.272 1.00 1.00 C ATOM 359 O LYS A 35 7.657 9.022 4.000 1.00 1.00 O ATOM 360 CB LYS A 35 6.430 7.396 6.575 1.00 1.00 C ATOM 361 CG LYS A 35 5.266 7.547 7.545 1.00 1.00 C ATOM 362 CD LYS A 35 4.463 8.812 7.277 1.00 1.00 C ATOM 363 CE LYS A 35 3.465 9.087 8.391 1.00 1.00 C ATOM 364 NZ LYS A 35 4.068 8.895 9.739 1.00 1.00 N ATOM 0 H LYS A 35 5.041 5.804 5.336 1.00 1.00 H new ATOM 0 HA LYS A 35 5.408 8.501 5.033 1.00 1.00 H new ATOM 0 HB2 LYS A 35 6.851 6.396 6.681 1.00 1.00 H new ATOM 0 HB3 LYS A 35 7.213 8.102 6.850 1.00 1.00 H new ATOM 0 HG2 LYS A 35 4.612 6.678 7.465 1.00 1.00 H new ATOM 0 HG3 LYS A 35 5.645 7.568 8.567 1.00 1.00 H new ATOM 0 HD2 LYS A 35 5.141 9.660 7.177 1.00 1.00 H new ATOM 0 HD3 LYS A 35 3.934 8.714 6.329 1.00 1.00 H new ATOM 0 HE2 LYS A 35 3.094 10.108 8.302 1.00 1.00 H new ATOM 0 HE3 LYS A 35 2.606 8.425 8.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 3.540 9.454 10.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 4.027 7.889 9.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 5.060 9.208 9.723 1.00 1.00 H new ATOM 378 N SER A 36 7.952 6.796 3.862 1.00 1.00 N ATOM 379 CA SER A 36 9.158 6.890 3.049 1.00 1.00 C ATOM 380 C SER A 36 8.815 6.867 1.559 1.00 1.00 C ATOM 381 O SER A 36 9.596 7.327 0.726 1.00 1.00 O ATOM 382 CB SER A 36 10.115 5.742 3.384 1.00 1.00 C ATOM 383 OG SER A 36 11.369 6.235 3.823 1.00 1.00 O ATOM 0 H SER A 36 7.665 5.842 4.080 1.00 1.00 H new ATOM 0 HA SER A 36 9.646 7.838 3.275 1.00 1.00 H new ATOM 0 HB2 SER A 36 9.676 5.113 4.159 1.00 1.00 H new ATOM 0 HB3 SER A 36 10.255 5.113 2.505 1.00 1.00 H new ATOM 0 HG SER A 36 11.961 5.483 4.032 1.00 1.00 H new ATOM 389 N ALA A 37 7.644 6.325 1.231 1.00 1.00 N ATOM 390 CA ALA A 37 7.201 6.239 -0.157 1.00 1.00 C ATOM 391 C ALA A 37 6.698 7.588 -0.673 1.00 1.00 C ATOM 392 O ALA A 37 6.487 7.758 -1.874 1.00 1.00 O ATOM 393 CB ALA A 37 6.117 5.179 -0.299 1.00 1.00 C ATOM 0 H ALA A 37 6.986 5.939 1.908 1.00 1.00 H new ATOM 0 HA ALA A 37 8.060 5.954 -0.764 1.00 1.00 H new ATOM 0 HB1 ALA A 37 5.795 5.125 -1.339 1.00 1.00 H new ATOM 0 HB2 ALA A 37 6.512 4.211 0.010 1.00 1.00 H new ATOM 0 HB3 ALA A 37 5.267 5.441 0.331 1.00 1.00 H new ATOM 399 N GLY A 38 6.507 8.543 0.234 1.00 1.00 N ATOM 400 CA GLY A 38 6.030 9.857 -0.164 1.00 1.00 C ATOM 401 C GLY A 38 4.663 10.177 0.407 1.00 1.00 C ATOM 402 O GLY A 38 3.830 10.790 -0.261 1.00 1.00 O ATOM 0 H GLY A 38 6.673 8.431 1.234 1.00 1.00 H new ATOM 0 HA2 GLY A 38 6.743 10.613 0.164 1.00 1.00 H new ATOM 0 HA3 GLY A 38 5.987 9.910 -1.252 1.00 1.00 H new ATOM 406 N ALA A 39 4.431 9.757 1.646 1.00 1.00 N ATOM 407 CA ALA A 39 3.156 9.996 2.312 1.00 1.00 C ATOM 408 C ALA A 39 3.300 11.068 3.401 1.00 1.00 C ATOM 409 O ALA A 39 4.359 11.182 4.019 1.00 1.00 O ATOM 410 CB ALA A 39 2.629 8.699 2.902 1.00 1.00 C ATOM 0 H ALA A 39 5.111 9.248 2.210 1.00 1.00 H new ATOM 0 HA ALA A 39 2.442 10.363 1.575 1.00 1.00 H new ATOM 0 HB1 ALA A 39 1.676 8.885 3.398 1.00 1.00 H new ATOM 0 HB2 ALA A 39 2.487 7.968 2.106 1.00 1.00 H new ATOM 0 HB3 ALA A 39 3.345 8.311 3.626 1.00 1.00 H new ATOM 416 N GLN A 40 2.247 11.861 3.635 1.00 1.00 N ATOM 417 CA GLN A 40 2.304 12.913 4.647 1.00 1.00 C ATOM 418 C GLN A 40 1.176 12.788 5.674 1.00 1.00 C ATOM 419 O GLN A 40 0.954 13.703 6.467 1.00 1.00 O ATOM 420 CB GLN A 40 2.244 14.288 3.977 1.00 1.00 C ATOM 421 CG GLN A 40 3.193 15.304 4.589 1.00 1.00 C ATOM 422 CD GLN A 40 3.868 16.174 3.546 1.00 1.00 C ATOM 423 OE1 GLN A 40 3.302 17.167 3.089 1.00 1.00 O ATOM 424 NE2 GLN A 40 5.084 15.803 3.163 1.00 1.00 N ATOM 0 H GLN A 40 1.357 11.793 3.142 1.00 1.00 H new ATOM 0 HA GLN A 40 3.249 12.801 5.179 1.00 1.00 H new ATOM 0 HB2 GLN A 40 2.477 14.177 2.918 1.00 1.00 H new ATOM 0 HB3 GLN A 40 1.225 14.670 4.041 1.00 1.00 H new ATOM 0 HG2 GLN A 40 2.642 15.938 5.284 1.00 1.00 H new ATOM 0 HG3 GLN A 40 3.954 14.782 5.169 1.00 1.00 H new ATOM 0 HE21 GLN A 40 5.515 14.972 3.569 1.00 1.00 H new ATOM 0 HE22 GLN A 40 5.587 16.349 2.463 1.00 1.00 H new ATOM 433 N LYS A 41 0.470 11.659 5.667 1.00 1.00 N ATOM 434 CA LYS A 41 -0.622 11.445 6.616 1.00 1.00 C ATOM 435 C LYS A 41 -0.593 10.026 7.175 1.00 1.00 C ATOM 436 O LYS A 41 0.276 9.228 6.827 1.00 1.00 O ATOM 437 CB LYS A 41 -1.978 11.723 5.960 1.00 1.00 C ATOM 438 CG LYS A 41 -2.175 11.020 4.628 1.00 1.00 C ATOM 439 CD LYS A 41 -1.418 11.718 3.511 1.00 1.00 C ATOM 440 CE LYS A 41 -2.159 11.616 2.188 1.00 1.00 C ATOM 441 NZ LYS A 41 -1.224 11.478 1.037 1.00 1.00 N ATOM 0 H LYS A 41 0.631 10.885 5.022 1.00 1.00 H new ATOM 0 HA LYS A 41 -0.483 12.144 7.441 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -2.770 11.415 6.642 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -2.085 12.798 5.811 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -1.837 9.987 4.707 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -3.237 10.990 4.385 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -1.273 12.767 3.768 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -0.427 11.275 3.409 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -2.832 10.759 2.214 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -2.778 12.503 2.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -1.726 11.698 0.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -0.428 12.136 1.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -0.864 10.503 0.997 1.00 1.00 H new ATOM 455 N GLU A 42 -1.544 9.721 8.053 1.00 1.00 N ATOM 456 CA GLU A 42 -1.623 8.400 8.667 1.00 1.00 C ATOM 457 C GLU A 42 -2.632 7.514 7.943 1.00 1.00 C ATOM 458 O GLU A 42 -2.492 6.291 7.920 1.00 1.00 O ATOM 459 CB GLU A 42 -2.005 8.524 10.143 1.00 1.00 C ATOM 460 CG GLU A 42 -3.300 9.285 10.374 1.00 1.00 C ATOM 461 CD GLU A 42 -3.072 10.763 10.625 1.00 1.00 C ATOM 462 OE1 GLU A 42 -2.790 11.493 9.653 1.00 1.00 O ATOM 463 OE2 GLU A 42 -3.175 11.189 11.795 1.00 1.00 O ATOM 0 H GLU A 42 -2.270 10.370 8.355 1.00 1.00 H new ATOM 0 HA GLU A 42 -0.640 7.935 8.587 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.099 7.526 10.571 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -1.198 9.025 10.678 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -3.948 9.164 9.506 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -3.824 8.852 11.226 1.00 1.00 H new ATOM 470 N THR A 43 -3.649 8.134 7.353 1.00 1.00 N ATOM 471 CA THR A 43 -4.678 7.393 6.630 1.00 1.00 C ATOM 472 C THR A 43 -4.632 7.712 5.140 1.00 1.00 C ATOM 473 O THR A 43 -4.433 8.861 4.746 1.00 1.00 O ATOM 474 CB THR A 43 -6.064 7.715 7.193 1.00 1.00 C ATOM 475 OG1 THR A 43 -5.964 8.253 8.500 1.00 1.00 O ATOM 476 CG2 THR A 43 -6.977 6.510 7.262 1.00 1.00 C ATOM 0 H THR A 43 -3.783 9.145 7.361 1.00 1.00 H new ATOM 0 HA THR A 43 -4.482 6.329 6.761 1.00 1.00 H new ATOM 0 HB THR A 43 -6.494 8.438 6.501 1.00 1.00 H new ATOM 0 HG1 THR A 43 -5.704 7.545 9.126 1.00 1.00 H new ATOM 0 HG21 THR A 43 -7.943 6.808 7.670 1.00 1.00 H new ATOM 0 HG22 THR A 43 -7.116 6.101 6.261 1.00 1.00 H new ATOM 0 HG23 THR A 43 -6.530 5.751 7.905 1.00 1.00 H new ATOM 484 N PHE A 44 -4.816 6.685 4.316 1.00 1.00 N ATOM 485 CA PHE A 44 -4.794 6.853 2.867 1.00 1.00 C ATOM 486 C PHE A 44 -5.852 5.987 2.197 1.00 1.00 C ATOM 487 O PHE A 44 -6.168 4.897 2.674 1.00 1.00 O ATOM 488 CB PHE A 44 -3.423 6.473 2.304 1.00 1.00 C ATOM 489 CG PHE A 44 -2.267 7.134 2.990 1.00 1.00 C ATOM 490 CD1 PHE A 44 -1.859 6.716 4.246 1.00 1.00 C ATOM 491 CD2 PHE A 44 -1.579 8.164 2.372 1.00 1.00 C ATOM 492 CE1 PHE A 44 -0.785 7.316 4.875 1.00 1.00 C ATOM 493 CE2 PHE A 44 -0.506 8.768 2.997 1.00 1.00 C ATOM 494 CZ PHE A 44 -0.109 8.343 4.249 1.00 1.00 C ATOM 0 H PHE A 44 -4.982 5.728 4.627 1.00 1.00 H new ATOM 0 HA PHE A 44 -5.003 7.902 2.659 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -3.302 5.392 2.375 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -3.395 6.728 1.245 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -2.386 5.912 4.739 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -1.884 8.498 1.392 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -0.475 6.982 5.854 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.022 9.572 2.507 1.00 1.00 H new ATOM 0 HZ PHE A 44 0.731 8.814 4.738 1.00 1.00 H new ATOM 504 N THR A 45 -6.372 6.462 1.071 1.00 1.00 N ATOM 505 CA THR A 45 -7.365 5.709 0.322 1.00 1.00 C ATOM 506 C THR A 45 -6.671 4.606 -0.467 1.00 1.00 C ATOM 507 O THR A 45 -5.517 4.758 -0.869 1.00 1.00 O ATOM 508 CB THR A 45 -8.143 6.627 -0.625 1.00 1.00 C ATOM 509 OG1 THR A 45 -7.273 7.226 -1.568 1.00 1.00 O ATOM 510 CG2 THR A 45 -8.883 7.739 0.089 1.00 1.00 C ATOM 0 H THR A 45 -6.122 7.361 0.660 1.00 1.00 H new ATOM 0 HA THR A 45 -8.074 5.266 1.021 1.00 1.00 H new ATOM 0 HB THR A 45 -8.874 5.984 -1.114 1.00 1.00 H new ATOM 0 HG1 THR A 45 -7.064 8.141 -1.285 1.00 1.00 H new ATOM 0 HG21 THR A 45 -9.412 8.351 -0.641 1.00 1.00 H new ATOM 0 HG22 THR A 45 -9.599 7.309 0.789 1.00 1.00 H new ATOM 0 HG23 THR A 45 -8.171 8.359 0.634 1.00 1.00 H new ATOM 518 N MET A 46 -7.369 3.491 -0.666 1.00 1.00 N ATOM 519 CA MET A 46 -6.817 2.347 -1.385 1.00 1.00 C ATOM 520 C MET A 46 -5.898 2.767 -2.532 1.00 1.00 C ATOM 521 O MET A 46 -4.798 2.236 -2.677 1.00 1.00 O ATOM 522 CB MET A 46 -7.946 1.462 -1.908 1.00 1.00 C ATOM 523 CG MET A 46 -7.785 0.010 -1.508 1.00 1.00 C ATOM 524 SD MET A 46 -8.168 -0.283 0.227 1.00 1.00 S ATOM 525 CE MET A 46 -6.559 -0.794 0.825 1.00 1.00 C ATOM 0 H MET A 46 -8.325 3.356 -0.337 1.00 1.00 H new ATOM 0 HA MET A 46 -6.209 1.783 -0.678 1.00 1.00 H new ATOM 0 HB2 MET A 46 -8.898 1.835 -1.531 1.00 1.00 H new ATOM 0 HB3 MET A 46 -7.984 1.533 -2.995 1.00 1.00 H new ATOM 0 HG2 MET A 46 -8.435 -0.607 -2.128 1.00 1.00 H new ATOM 0 HG3 MET A 46 -6.761 -0.306 -1.708 1.00 1.00 H new ATOM 0 HE1 MET A 46 -6.432 -0.464 1.856 1.00 1.00 H new ATOM 0 HE2 MET A 46 -6.482 -1.880 0.780 1.00 1.00 H new ATOM 0 HE3 MET A 46 -5.782 -0.350 0.203 1.00 1.00 H new ATOM 535 N LYS A 47 -6.346 3.720 -3.342 1.00 1.00 N ATOM 536 CA LYS A 47 -5.546 4.196 -4.468 1.00 1.00 C ATOM 537 C LYS A 47 -4.173 4.674 -3.998 1.00 1.00 C ATOM 538 O LYS A 47 -3.148 4.105 -4.374 1.00 1.00 O ATOM 539 CB LYS A 47 -6.277 5.324 -5.201 1.00 1.00 C ATOM 540 CG LYS A 47 -6.581 5.005 -6.656 1.00 1.00 C ATOM 541 CD LYS A 47 -7.474 3.781 -6.783 1.00 1.00 C ATOM 542 CE LYS A 47 -8.843 4.026 -6.170 1.00 1.00 C ATOM 543 NZ LYS A 47 -9.743 2.850 -6.330 1.00 1.00 N ATOM 0 H LYS A 47 -7.253 4.177 -3.242 1.00 1.00 H new ATOM 0 HA LYS A 47 -5.401 3.364 -5.157 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -7.211 5.539 -4.682 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -5.671 6.229 -5.155 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -7.067 5.861 -7.124 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -5.649 4.834 -7.195 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -7.587 3.519 -7.835 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -7.001 2.931 -6.291 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.730 4.255 -5.110 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -9.299 4.898 -6.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -10.666 3.058 -5.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -9.872 2.646 -7.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -9.320 2.023 -5.862 1.00 1.00 H new ATOM 557 N GLU A 48 -4.157 5.718 -3.171 1.00 1.00 N ATOM 558 CA GLU A 48 -2.901 6.257 -2.652 1.00 1.00 C ATOM 559 C GLU A 48 -2.078 5.158 -1.991 1.00 1.00 C ATOM 560 O GLU A 48 -0.884 5.021 -2.253 1.00 1.00 O ATOM 561 CB GLU A 48 -3.164 7.385 -1.653 1.00 1.00 C ATOM 562 CG GLU A 48 -3.674 8.664 -2.297 1.00 1.00 C ATOM 563 CD GLU A 48 -5.152 8.603 -2.630 1.00 1.00 C ATOM 564 OE1 GLU A 48 -5.517 7.880 -3.580 1.00 1.00 O ATOM 565 OE2 GLU A 48 -5.944 9.279 -1.940 1.00 1.00 O ATOM 0 H GLU A 48 -4.993 6.205 -2.848 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.337 6.662 -3.493 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -3.892 7.044 -0.917 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -2.242 7.603 -1.113 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -3.492 9.502 -1.624 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -3.108 8.858 -3.208 1.00 1.00 H new ATOM 572 N VAL A 49 -2.728 4.365 -1.142 1.00 1.00 N ATOM 573 CA VAL A 49 -2.054 3.267 -0.457 1.00 1.00 C ATOM 574 C VAL A 49 -1.368 2.358 -1.467 1.00 1.00 C ATOM 575 O VAL A 49 -0.149 2.191 -1.448 1.00 1.00 O ATOM 576 CB VAL A 49 -3.038 2.425 0.380 1.00 1.00 C ATOM 577 CG1 VAL A 49 -2.282 1.455 1.275 1.00 1.00 C ATOM 578 CG2 VAL A 49 -3.956 3.318 1.204 1.00 1.00 C ATOM 0 H VAL A 49 -3.717 4.462 -0.913 1.00 1.00 H new ATOM 0 HA VAL A 49 -1.317 3.710 0.213 1.00 1.00 H new ATOM 0 HB VAL A 49 -3.659 1.848 -0.305 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -2.992 0.869 1.858 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -1.679 0.787 0.660 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -1.632 2.013 1.949 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -4.640 2.699 1.785 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -3.358 3.930 1.879 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -4.528 3.965 0.539 1.00 1.00 H new ATOM 588 N LEU A 50 -2.169 1.783 -2.356 1.00 1.00 N ATOM 589 CA LEU A 50 -1.660 0.897 -3.392 1.00 1.00 C ATOM 590 C LEU A 50 -0.668 1.626 -4.301 1.00 1.00 C ATOM 591 O LEU A 50 0.128 0.995 -4.997 1.00 1.00 O ATOM 592 CB LEU A 50 -2.825 0.347 -4.220 1.00 1.00 C ATOM 593 CG LEU A 50 -2.920 -1.178 -4.275 1.00 1.00 C ATOM 594 CD1 LEU A 50 -4.262 -1.605 -4.845 1.00 1.00 C ATOM 595 CD2 LEU A 50 -1.782 -1.759 -5.098 1.00 1.00 C ATOM 0 H LEU A 50 -3.180 1.917 -2.379 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.135 0.072 -2.912 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.757 0.739 -3.812 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.738 0.727 -5.238 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.836 -1.563 -3.259 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.314 -2.693 -4.878 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.064 -1.222 -4.214 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.372 -1.206 -5.853 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.869 -2.845 -5.124 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.831 -1.367 -6.114 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.829 -1.482 -4.647 1.00 1.00 H new ATOM 607 N TYR A 51 -0.726 2.957 -4.296 1.00 1.00 N ATOM 608 CA TYR A 51 0.162 3.764 -5.127 1.00 1.00 C ATOM 609 C TYR A 51 1.565 3.856 -4.527 1.00 1.00 C ATOM 610 O TYR A 51 2.548 3.484 -5.172 1.00 1.00 O ATOM 611 CB TYR A 51 -0.419 5.167 -5.324 1.00 1.00 C ATOM 612 CG TYR A 51 0.437 6.062 -6.193 1.00 1.00 C ATOM 613 CD1 TYR A 51 0.374 5.983 -7.578 1.00 1.00 C ATOM 614 CD2 TYR A 51 1.308 6.984 -5.627 1.00 1.00 C ATOM 615 CE1 TYR A 51 1.155 6.799 -8.375 1.00 1.00 C ATOM 616 CE2 TYR A 51 2.092 7.803 -6.417 1.00 1.00 C ATOM 617 CZ TYR A 51 2.012 7.706 -7.790 1.00 1.00 C ATOM 618 OH TYR A 51 2.791 8.520 -8.580 1.00 1.00 O ATOM 0 H TYR A 51 -1.378 3.497 -3.727 1.00 1.00 H new ATOM 0 HA TYR A 51 0.243 3.271 -6.096 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -1.410 5.081 -5.771 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -0.548 5.637 -4.349 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -0.296 5.273 -8.040 1.00 1.00 H new ATOM 0 HD2 TYR A 51 1.374 7.062 -4.552 1.00 1.00 H new ATOM 0 HE1 TYR A 51 1.094 6.726 -9.451 1.00 1.00 H new ATOM 0 HE2 TYR A 51 2.764 8.515 -5.961 1.00 1.00 H new ATOM 0 HH TYR A 51 3.338 9.102 -8.011 1.00 1.00 H new ATOM 628 N HIS A 52 1.664 4.354 -3.295 1.00 1.00 N ATOM 629 CA HIS A 52 2.963 4.483 -2.642 1.00 1.00 C ATOM 630 C HIS A 52 3.689 3.144 -2.626 1.00 1.00 C ATOM 631 O HIS A 52 4.877 3.074 -2.931 1.00 1.00 O ATOM 632 CB HIS A 52 2.826 5.018 -1.213 1.00 1.00 C ATOM 633 CG HIS A 52 1.773 6.071 -1.048 1.00 1.00 C ATOM 634 ND1 HIS A 52 1.825 7.291 -1.686 1.00 1.00 N ATOM 635 CD2 HIS A 52 0.646 6.089 -0.297 1.00 1.00 C ATOM 636 CE1 HIS A 52 0.778 8.015 -1.333 1.00 1.00 C ATOM 637 NE2 HIS A 52 0.046 7.309 -0.491 1.00 1.00 N ATOM 0 H HIS A 52 0.871 4.670 -2.737 1.00 1.00 H new ATOM 0 HA HIS A 52 3.547 5.201 -3.218 1.00 1.00 H new ATOM 0 HB2 HIS A 52 2.599 4.186 -0.546 1.00 1.00 H new ATOM 0 HB3 HIS A 52 3.786 5.427 -0.897 1.00 1.00 H new ATOM 0 HD1 HIS A 52 2.558 7.589 -2.330 1.00 1.00 H new ATOM 0 HD2 HIS A 52 0.286 5.292 0.337 1.00 1.00 H new ATOM 0 HE1 HIS A 52 0.558 9.015 -1.675 1.00 1.00 H new ATOM 646 N LEU A 53 2.965 2.080 -2.276 1.00 1.00 N ATOM 647 CA LEU A 53 3.533 0.746 -2.230 1.00 1.00 C ATOM 648 C LEU A 53 4.379 0.465 -3.468 1.00 1.00 C ATOM 649 O LEU A 53 5.521 0.020 -3.361 1.00 1.00 O ATOM 650 CB LEU A 53 2.411 -0.281 -2.102 1.00 1.00 C ATOM 651 CG LEU A 53 2.484 -1.144 -0.849 1.00 1.00 C ATOM 652 CD1 LEU A 53 2.699 -0.285 0.389 1.00 1.00 C ATOM 653 CD2 LEU A 53 1.231 -1.996 -0.706 1.00 1.00 C ATOM 0 H LEU A 53 1.979 2.124 -2.020 1.00 1.00 H new ATOM 0 HA LEU A 53 4.187 0.674 -1.361 1.00 1.00 H new ATOM 0 HB2 LEU A 53 1.454 0.242 -2.113 1.00 1.00 H new ATOM 0 HB3 LEU A 53 2.429 -0.931 -2.977 1.00 1.00 H new ATOM 0 HG LEU A 53 3.339 -1.813 -0.948 1.00 1.00 H new ATOM 0 HD11 LEU A 53 2.748 -0.924 1.271 1.00 1.00 H new ATOM 0 HD12 LEU A 53 3.633 0.269 0.290 1.00 1.00 H new ATOM 0 HD13 LEU A 53 1.871 0.416 0.494 1.00 1.00 H new ATOM 0 HD21 LEU A 53 1.305 -2.604 0.196 1.00 1.00 H new ATOM 0 HD22 LEU A 53 0.357 -1.349 -0.636 1.00 1.00 H new ATOM 0 HD23 LEU A 53 1.132 -2.646 -1.575 1.00 1.00 H new ATOM 665 N GLY A 54 3.820 0.747 -4.642 1.00 1.00 N ATOM 666 CA GLY A 54 4.556 0.535 -5.873 1.00 1.00 C ATOM 667 C GLY A 54 5.875 1.279 -5.861 1.00 1.00 C ATOM 668 O GLY A 54 6.900 0.757 -6.303 1.00 1.00 O ATOM 0 H GLY A 54 2.877 1.116 -4.761 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.738 -0.531 -6.011 1.00 1.00 H new ATOM 0 HA3 GLY A 54 3.956 0.868 -6.720 1.00 1.00 H new ATOM 672 N GLN A 55 5.845 2.499 -5.335 1.00 1.00 N ATOM 673 CA GLN A 55 7.044 3.323 -5.241 1.00 1.00 C ATOM 674 C GLN A 55 7.910 2.874 -4.066 1.00 1.00 C ATOM 675 O GLN A 55 9.131 3.030 -4.085 1.00 1.00 O ATOM 676 CB GLN A 55 6.665 4.796 -5.079 1.00 1.00 C ATOM 677 CG GLN A 55 5.948 5.377 -6.286 1.00 1.00 C ATOM 678 CD GLN A 55 6.096 6.883 -6.384 1.00 1.00 C ATOM 679 OE1 GLN A 55 5.560 7.625 -5.561 1.00 1.00 O ATOM 680 NE2 GLN A 55 6.826 7.342 -7.394 1.00 1.00 N ATOM 0 H GLN A 55 5.002 2.939 -4.967 1.00 1.00 H new ATOM 0 HA GLN A 55 7.615 3.205 -6.162 1.00 1.00 H new ATOM 0 HB2 GLN A 55 6.027 4.904 -4.202 1.00 1.00 H new ATOM 0 HB3 GLN A 55 7.568 5.376 -4.890 1.00 1.00 H new ATOM 0 HG2 GLN A 55 6.341 4.917 -7.193 1.00 1.00 H new ATOM 0 HG3 GLN A 55 4.889 5.123 -6.232 1.00 1.00 H new ATOM 0 HE21 GLN A 55 7.252 6.690 -8.053 1.00 1.00 H new ATOM 0 HE22 GLN A 55 6.961 8.346 -7.511 1.00 1.00 H new ATOM 689 N TYR A 56 7.265 2.312 -3.046 1.00 1.00 N ATOM 690 CA TYR A 56 7.967 1.834 -1.860 1.00 1.00 C ATOM 691 C TYR A 56 8.887 0.669 -2.216 1.00 1.00 C ATOM 692 O TYR A 56 10.066 0.664 -1.862 1.00 1.00 O ATOM 693 CB TYR A 56 6.958 1.405 -0.785 1.00 1.00 C ATOM 694 CG TYR A 56 7.574 0.626 0.357 1.00 1.00 C ATOM 695 CD1 TYR A 56 8.292 1.270 1.357 1.00 1.00 C ATOM 696 CD2 TYR A 56 7.454 -0.756 0.423 1.00 1.00 C ATOM 697 CE1 TYR A 56 8.874 0.560 2.389 1.00 1.00 C ATOM 698 CE2 TYR A 56 8.028 -1.474 1.455 1.00 1.00 C ATOM 699 CZ TYR A 56 8.738 -0.812 2.434 1.00 1.00 C ATOM 700 OH TYR A 56 9.316 -1.524 3.461 1.00 1.00 O ATOM 0 H TYR A 56 6.254 2.177 -3.018 1.00 1.00 H new ATOM 0 HA TYR A 56 8.576 2.647 -1.466 1.00 1.00 H new ATOM 0 HB2 TYR A 56 6.469 2.293 -0.384 1.00 1.00 H new ATOM 0 HB3 TYR A 56 6.182 0.797 -1.250 1.00 1.00 H new ATOM 0 HD1 TYR A 56 8.397 2.344 1.327 1.00 1.00 H new ATOM 0 HD2 TYR A 56 6.903 -1.278 -0.345 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.432 1.076 3.156 1.00 1.00 H new ATOM 0 HE2 TYR A 56 7.921 -2.548 1.494 1.00 1.00 H new ATOM 0 HH TYR A 56 9.125 -2.478 3.345 1.00 1.00 H new ATOM 710 N ILE A 57 8.338 -0.317 -2.919 1.00 1.00 N ATOM 711 CA ILE A 57 9.106 -1.488 -3.324 1.00 1.00 C ATOM 712 C ILE A 57 10.299 -1.091 -4.187 1.00 1.00 C ATOM 713 O ILE A 57 11.439 -1.438 -3.881 1.00 1.00 O ATOM 714 CB ILE A 57 8.230 -2.493 -4.099 1.00 1.00 C ATOM 715 CG1 ILE A 57 7.011 -2.886 -3.263 1.00 1.00 C ATOM 716 CG2 ILE A 57 9.038 -3.726 -4.479 1.00 1.00 C ATOM 717 CD1 ILE A 57 6.108 -3.890 -3.945 1.00 1.00 C ATOM 0 H ILE A 57 7.363 -0.328 -3.220 1.00 1.00 H new ATOM 0 HA ILE A 57 9.467 -1.963 -2.412 1.00 1.00 H new ATOM 0 HB ILE A 57 7.884 -2.017 -5.016 1.00 1.00 H new ATOM 0 HG12 ILE A 57 7.350 -3.301 -2.314 1.00 1.00 H new ATOM 0 HG13 ILE A 57 6.435 -1.990 -3.032 1.00 1.00 H new ATOM 0 HG21 ILE A 57 8.403 -4.423 -5.025 1.00 1.00 H new ATOM 0 HG22 ILE A 57 9.878 -3.431 -5.108 1.00 1.00 H new ATOM 0 HG23 ILE A 57 9.413 -4.208 -3.576 1.00 1.00 H new ATOM 0 HD11 ILE A 57 5.265 -4.122 -3.294 1.00 1.00 H new ATOM 0 HD12 ILE A 57 5.739 -3.471 -4.881 1.00 1.00 H new ATOM 0 HD13 ILE A 57 6.668 -4.802 -4.152 1.00 1.00 H new ATOM 729 N MET A 58 10.032 -0.360 -5.265 1.00 1.00 N ATOM 730 CA MET A 58 11.091 0.081 -6.166 1.00 1.00 C ATOM 731 C MET A 58 12.145 0.886 -5.409 1.00 1.00 C ATOM 732 O MET A 58 13.320 0.887 -5.775 1.00 1.00 O ATOM 733 CB MET A 58 10.508 0.916 -7.309 1.00 1.00 C ATOM 734 CG MET A 58 9.972 2.267 -6.868 1.00 1.00 C ATOM 735 SD MET A 58 9.274 3.216 -8.233 1.00 1.00 S ATOM 736 CE MET A 58 10.108 4.786 -8.015 1.00 1.00 C ATOM 0 H MET A 58 9.095 -0.061 -5.535 1.00 1.00 H new ATOM 0 HA MET A 58 11.569 -0.803 -6.587 1.00 1.00 H new ATOM 0 HB2 MET A 58 11.279 1.070 -8.064 1.00 1.00 H new ATOM 0 HB3 MET A 58 9.704 0.354 -7.784 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.208 2.119 -6.105 1.00 1.00 H new ATOM 0 HG3 MET A 58 10.776 2.840 -6.406 1.00 1.00 H new ATOM 0 HE1 MET A 58 9.780 5.482 -8.787 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.867 5.193 -7.033 1.00 1.00 H new ATOM 0 HE3 MET A 58 11.185 4.640 -8.092 1.00 1.00 H new ATOM 746 N ALA A 59 11.715 1.564 -4.348 1.00 1.00 N ATOM 747 CA ALA A 59 12.621 2.366 -3.536 1.00 1.00 C ATOM 748 C ALA A 59 13.504 1.473 -2.671 1.00 1.00 C ATOM 749 O ALA A 59 14.730 1.515 -2.767 1.00 1.00 O ATOM 750 CB ALA A 59 11.835 3.337 -2.668 1.00 1.00 C ATOM 0 H ALA A 59 10.745 1.573 -4.032 1.00 1.00 H new ATOM 0 HA ALA A 59 13.265 2.939 -4.204 1.00 1.00 H new ATOM 0 HB1 ALA A 59 12.526 3.929 -2.067 1.00 1.00 H new ATOM 0 HB2 ALA A 59 11.247 3.999 -3.304 1.00 1.00 H new ATOM 0 HB3 ALA A 59 11.168 2.779 -2.010 1.00 1.00 H new ATOM 756 N LYS A 60 12.871 0.658 -1.833 1.00 1.00 N ATOM 757 CA LYS A 60 13.599 -0.253 -0.958 1.00 1.00 C ATOM 758 C LYS A 60 14.346 -1.305 -1.775 1.00 1.00 C ATOM 759 O LYS A 60 15.328 -1.884 -1.310 1.00 1.00 O ATOM 760 CB LYS A 60 12.638 -0.934 0.018 1.00 1.00 C ATOM 761 CG LYS A 60 12.304 -0.090 1.237 1.00 1.00 C ATOM 762 CD LYS A 60 11.794 1.287 0.843 1.00 1.00 C ATOM 763 CE LYS A 60 11.552 2.161 2.063 1.00 1.00 C ATOM 764 NZ LYS A 60 12.726 3.025 2.369 1.00 1.00 N ATOM 0 H LYS A 60 11.856 0.610 -1.742 1.00 1.00 H new ATOM 0 HA LYS A 60 14.327 0.328 -0.391 1.00 1.00 H new ATOM 0 HB2 LYS A 60 11.715 -1.179 -0.507 1.00 1.00 H new ATOM 0 HB3 LYS A 60 13.077 -1.876 0.348 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.550 -0.600 1.837 1.00 1.00 H new ATOM 0 HG3 LYS A 60 13.191 0.015 1.861 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.517 1.770 0.186 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.868 1.185 0.277 1.00 1.00 H new ATOM 0 HE2 LYS A 60 10.675 2.786 1.893 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.332 1.530 2.924 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 12.521 3.605 3.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.557 2.428 2.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 12.921 3.646 1.558 1.00 1.00 H new ATOM 778 N GLN A 61 13.875 -1.543 -2.998 1.00 1.00 N ATOM 779 CA GLN A 61 14.494 -2.520 -3.890 1.00 1.00 C ATOM 780 C GLN A 61 14.232 -3.947 -3.415 1.00 1.00 C ATOM 781 O GLN A 61 15.161 -4.684 -3.083 1.00 1.00 O ATOM 782 CB GLN A 61 16.001 -2.270 -3.997 1.00 1.00 C ATOM 783 CG GLN A 61 16.654 -2.986 -5.169 1.00 1.00 C ATOM 784 CD GLN A 61 17.375 -2.036 -6.106 1.00 1.00 C ATOM 785 OE1 GLN A 61 18.491 -2.308 -6.547 1.00 1.00 O ATOM 786 NE2 GLN A 61 16.737 -0.912 -6.416 1.00 1.00 N ATOM 0 H GLN A 61 13.063 -1.070 -3.394 1.00 1.00 H new ATOM 0 HA GLN A 61 14.044 -2.401 -4.876 1.00 1.00 H new ATOM 0 HB2 GLN A 61 16.177 -1.199 -4.092 1.00 1.00 H new ATOM 0 HB3 GLN A 61 16.481 -2.591 -3.073 1.00 1.00 H new ATOM 0 HG2 GLN A 61 17.362 -3.724 -4.790 1.00 1.00 H new ATOM 0 HG3 GLN A 61 15.893 -3.532 -5.726 1.00 1.00 H new ATOM 0 HE21 GLN A 61 15.812 -0.727 -6.027 1.00 1.00 H new ATOM 0 HE22 GLN A 61 17.172 -0.235 -7.043 1.00 1.00 H new ATOM 795 N LEU A 62 12.960 -4.333 -3.393 1.00 1.00 N ATOM 796 CA LEU A 62 12.575 -5.675 -2.968 1.00 1.00 C ATOM 797 C LEU A 62 12.296 -6.576 -4.172 1.00 1.00 C ATOM 798 O LEU A 62 12.078 -7.778 -4.019 1.00 1.00 O ATOM 799 CB LEU A 62 11.336 -5.620 -2.070 1.00 1.00 C ATOM 800 CG LEU A 62 11.236 -4.394 -1.158 1.00 1.00 C ATOM 801 CD1 LEU A 62 10.116 -4.577 -0.146 1.00 1.00 C ATOM 802 CD2 LEU A 62 12.559 -4.143 -0.450 1.00 1.00 C ATOM 0 H LEU A 62 12.179 -3.736 -3.664 1.00 1.00 H new ATOM 0 HA LEU A 62 13.408 -6.095 -2.405 1.00 1.00 H new ATOM 0 HB2 LEU A 62 10.449 -5.654 -2.702 1.00 1.00 H new ATOM 0 HB3 LEU A 62 11.319 -6.515 -1.449 1.00 1.00 H new ATOM 0 HG LEU A 62 11.008 -3.524 -1.774 1.00 1.00 H new ATOM 0 HD11 LEU A 62 10.057 -3.697 0.495 1.00 1.00 H new ATOM 0 HD12 LEU A 62 9.169 -4.707 -0.670 1.00 1.00 H new ATOM 0 HD13 LEU A 62 10.317 -5.458 0.464 1.00 1.00 H new ATOM 0 HD21 LEU A 62 12.467 -3.268 0.193 1.00 1.00 H new ATOM 0 HD22 LEU A 62 12.819 -5.012 0.155 1.00 1.00 H new ATOM 0 HD23 LEU A 62 13.340 -3.969 -1.190 1.00 1.00 H new ATOM 814 N TYR A 63 12.301 -5.990 -5.368 1.00 1.00 N ATOM 815 CA TYR A 63 12.044 -6.744 -6.589 1.00 1.00 C ATOM 816 C TYR A 63 13.290 -7.503 -7.033 1.00 1.00 C ATOM 817 O TYR A 63 14.412 -7.019 -6.881 1.00 1.00 O ATOM 818 CB TYR A 63 11.580 -5.804 -7.702 1.00 1.00 C ATOM 819 CG TYR A 63 12.596 -4.742 -8.057 1.00 1.00 C ATOM 820 CD1 TYR A 63 13.719 -5.052 -8.812 1.00 1.00 C ATOM 821 CD2 TYR A 63 12.432 -3.429 -7.632 1.00 1.00 C ATOM 822 CE1 TYR A 63 14.652 -4.084 -9.134 1.00 1.00 C ATOM 823 CE2 TYR A 63 13.360 -2.455 -7.951 1.00 1.00 C ATOM 824 CZ TYR A 63 14.468 -2.788 -8.702 1.00 1.00 C ATOM 825 OH TYR A 63 15.394 -1.822 -9.021 1.00 1.00 O ATOM 0 H TYR A 63 12.480 -4.997 -5.515 1.00 1.00 H new ATOM 0 HA TYR A 63 11.256 -7.468 -6.382 1.00 1.00 H new ATOM 0 HB2 TYR A 63 11.354 -6.391 -8.592 1.00 1.00 H new ATOM 0 HB3 TYR A 63 10.653 -5.320 -7.395 1.00 1.00 H new ATOM 0 HD1 TYR A 63 13.866 -6.066 -9.153 1.00 1.00 H new ATOM 0 HD2 TYR A 63 11.566 -3.165 -7.043 1.00 1.00 H new ATOM 0 HE1 TYR A 63 15.521 -4.342 -9.721 1.00 1.00 H new ATOM 0 HE2 TYR A 63 13.218 -1.439 -7.614 1.00 1.00 H new ATOM 0 HH TYR A 63 15.115 -0.963 -8.641 1.00 1.00 H new ATOM 835 N ASP A 64 13.084 -8.697 -7.581 1.00 1.00 N ATOM 836 CA ASP A 64 14.189 -9.527 -8.047 1.00 1.00 C ATOM 837 C ASP A 64 14.762 -8.993 -9.356 1.00 1.00 C ATOM 838 O ASP A 64 14.030 -8.473 -10.198 1.00 1.00 O ATOM 839 CB ASP A 64 13.721 -10.972 -8.234 1.00 1.00 C ATOM 840 CG ASP A 64 14.848 -11.897 -8.651 1.00 1.00 C ATOM 841 OD1 ASP A 64 15.928 -11.835 -8.028 1.00 1.00 O ATOM 842 OD2 ASP A 64 14.650 -12.683 -9.602 1.00 1.00 O ATOM 0 H ASP A 64 12.161 -9.111 -7.713 1.00 1.00 H new ATOM 0 HA ASP A 64 14.975 -9.498 -7.292 1.00 1.00 H new ATOM 0 HB2 ASP A 64 13.285 -11.333 -7.303 1.00 1.00 H new ATOM 0 HB3 ASP A 64 12.934 -11.001 -8.987 1.00 1.00 H new ATOM 847 N GLU A 65 16.074 -9.126 -9.522 1.00 1.00 N ATOM 848 CA GLU A 65 16.741 -8.659 -10.732 1.00 1.00 C ATOM 849 C GLU A 65 16.226 -9.413 -11.952 1.00 1.00 C ATOM 850 O GLU A 65 15.732 -8.808 -12.904 1.00 1.00 O ATOM 851 CB GLU A 65 18.256 -8.831 -10.608 1.00 1.00 C ATOM 852 CG GLU A 65 18.952 -7.645 -9.962 1.00 1.00 C ATOM 853 CD GLU A 65 18.701 -6.347 -10.704 1.00 1.00 C ATOM 854 OE1 GLU A 65 17.659 -5.708 -10.447 1.00 1.00 O ATOM 855 OE2 GLU A 65 19.547 -5.969 -11.541 1.00 1.00 O ATOM 0 H GLU A 65 16.696 -9.553 -8.835 1.00 1.00 H new ATOM 0 HA GLU A 65 16.518 -7.599 -10.858 1.00 1.00 H new ATOM 0 HB2 GLU A 65 18.465 -9.727 -10.023 1.00 1.00 H new ATOM 0 HB3 GLU A 65 18.677 -8.993 -11.600 1.00 1.00 H new ATOM 0 HG2 GLU A 65 18.608 -7.543 -8.933 1.00 1.00 H new ATOM 0 HG3 GLU A 65 20.025 -7.835 -9.923 1.00 1.00 H new ATOM 862 N LYS A 66 16.332 -10.739 -11.915 1.00 1.00 N ATOM 863 CA LYS A 66 15.862 -11.571 -13.017 1.00 1.00 C ATOM 864 C LYS A 66 14.406 -11.252 -13.332 1.00 1.00 C ATOM 865 O LYS A 66 14.089 -10.734 -14.402 1.00 1.00 O ATOM 866 CB LYS A 66 16.013 -13.053 -12.669 1.00 1.00 C ATOM 867 CG LYS A 66 17.428 -13.443 -12.271 1.00 1.00 C ATOM 868 CD LYS A 66 17.585 -13.507 -10.760 1.00 1.00 C ATOM 869 CE LYS A 66 18.890 -12.871 -10.307 1.00 1.00 C ATOM 870 NZ LYS A 66 18.947 -12.713 -8.828 1.00 1.00 N ATOM 0 H LYS A 66 16.738 -11.258 -11.136 1.00 1.00 H new ATOM 0 HA LYS A 66 16.468 -11.357 -13.897 1.00 1.00 H new ATOM 0 HB2 LYS A 66 15.334 -13.297 -11.852 1.00 1.00 H new ATOM 0 HB3 LYS A 66 15.707 -13.652 -13.527 1.00 1.00 H new ATOM 0 HG2 LYS A 66 17.675 -14.412 -12.705 1.00 1.00 H new ATOM 0 HG3 LYS A 66 18.134 -12.721 -12.681 1.00 1.00 H new ATOM 0 HD2 LYS A 66 16.747 -12.998 -10.284 1.00 1.00 H new ATOM 0 HD3 LYS A 66 17.553 -14.547 -10.434 1.00 1.00 H new ATOM 0 HE2 LYS A 66 19.727 -13.485 -10.639 1.00 1.00 H new ATOM 0 HE3 LYS A 66 19.002 -11.896 -10.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 19.647 -11.984 -8.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 18.012 -12.428 -8.473 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 19.222 -13.617 -8.393 1.00 1.00 H new ATOM 884 N GLN A 67 13.526 -11.550 -12.382 1.00 1.00 N ATOM 885 CA GLN A 67 12.109 -11.279 -12.544 1.00 1.00 C ATOM 886 C GLN A 67 11.748 -9.959 -11.871 1.00 1.00 C ATOM 887 O GLN A 67 11.982 -9.779 -10.676 1.00 1.00 O ATOM 888 CB GLN A 67 11.286 -12.414 -11.938 1.00 1.00 C ATOM 889 CG GLN A 67 11.745 -13.798 -12.366 1.00 1.00 C ATOM 890 CD GLN A 67 11.393 -14.869 -11.353 1.00 1.00 C ATOM 891 OE1 GLN A 67 10.396 -15.576 -11.500 1.00 1.00 O ATOM 892 NE2 GLN A 67 12.212 -14.994 -10.315 1.00 1.00 N ATOM 0 H GLN A 67 13.774 -11.980 -11.491 1.00 1.00 H new ATOM 0 HA GLN A 67 11.884 -11.207 -13.608 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.334 -12.345 -10.851 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.241 -12.284 -12.220 1.00 1.00 H new ATOM 0 HG2 GLN A 67 11.290 -14.047 -13.325 1.00 1.00 H new ATOM 0 HG3 GLN A 67 12.824 -13.788 -12.518 1.00 1.00 H new ATOM 0 HE21 GLN A 67 13.027 -14.387 -10.233 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.026 -15.697 -9.600 1.00 1.00 H new ATOM 901 N GLN A 68 11.183 -9.038 -12.641 1.00 1.00 N ATOM 902 CA GLN A 68 10.800 -7.736 -12.108 1.00 1.00 C ATOM 903 C GLN A 68 9.428 -7.796 -11.441 1.00 1.00 C ATOM 904 O GLN A 68 9.080 -6.926 -10.644 1.00 1.00 O ATOM 905 CB GLN A 68 10.804 -6.685 -13.218 1.00 1.00 C ATOM 906 CG GLN A 68 12.135 -5.965 -13.363 1.00 1.00 C ATOM 907 CD GLN A 68 13.079 -6.671 -14.316 1.00 1.00 C ATOM 908 OE1 GLN A 68 12.699 -7.033 -15.430 1.00 1.00 O ATOM 909 NE2 GLN A 68 14.318 -6.870 -13.882 1.00 1.00 N ATOM 0 H GLN A 68 10.980 -9.167 -13.632 1.00 1.00 H new ATOM 0 HA GLN A 68 11.532 -7.453 -11.351 1.00 1.00 H new ATOM 0 HB2 GLN A 68 10.554 -7.165 -14.164 1.00 1.00 H new ATOM 0 HB3 GLN A 68 10.023 -5.952 -13.017 1.00 1.00 H new ATOM 0 HG2 GLN A 68 11.958 -4.950 -13.718 1.00 1.00 H new ATOM 0 HG3 GLN A 68 12.608 -5.882 -12.384 1.00 1.00 H new ATOM 0 HE21 GLN A 68 14.589 -6.553 -12.951 1.00 1.00 H new ATOM 0 HE22 GLN A 68 14.998 -7.340 -14.479 1.00 1.00 H new ATOM 918 N HIS A 69 8.655 -8.828 -11.766 1.00 1.00 N ATOM 919 CA HIS A 69 7.327 -8.996 -11.188 1.00 1.00 C ATOM 920 C HIS A 69 7.381 -9.854 -9.923 1.00 1.00 C ATOM 921 O HIS A 69 6.350 -10.308 -9.428 1.00 1.00 O ATOM 922 CB HIS A 69 6.377 -9.621 -12.213 1.00 1.00 C ATOM 923 CG HIS A 69 6.681 -11.056 -12.521 1.00 1.00 C ATOM 924 ND1 HIS A 69 7.738 -11.447 -13.316 1.00 1.00 N ATOM 925 CD2 HIS A 69 6.061 -12.196 -12.136 1.00 1.00 C ATOM 926 CE1 HIS A 69 7.754 -12.765 -13.407 1.00 1.00 C ATOM 927 NE2 HIS A 69 6.747 -13.243 -12.699 1.00 1.00 N ATOM 0 H HIS A 69 8.925 -9.558 -12.425 1.00 1.00 H new ATOM 0 HA HIS A 69 6.951 -8.011 -10.912 1.00 1.00 H new ATOM 0 HB2 HIS A 69 5.355 -9.547 -11.840 1.00 1.00 H new ATOM 0 HB3 HIS A 69 6.422 -9.043 -13.136 1.00 1.00 H new ATOM 0 HD2 HIS A 69 5.189 -12.268 -11.503 1.00 1.00 H new ATOM 0 HE1 HIS A 69 8.469 -13.351 -13.965 1.00 1.00 H new ATOM 0 HE2 HIS A 69 6.516 -14.230 -12.588 1.00 1.00 H new ATOM 936 N ILE A 70 8.589 -10.070 -9.404 1.00 1.00 N ATOM 937 CA ILE A 70 8.771 -10.869 -8.199 1.00 1.00 C ATOM 938 C ILE A 70 9.397 -10.040 -7.085 1.00 1.00 C ATOM 939 O ILE A 70 10.323 -9.263 -7.319 1.00 1.00 O ATOM 940 CB ILE A 70 9.660 -12.099 -8.463 1.00 1.00 C ATOM 941 CG1 ILE A 70 9.137 -12.887 -9.664 1.00 1.00 C ATOM 942 CG2 ILE A 70 9.728 -12.986 -7.226 1.00 1.00 C ATOM 943 CD1 ILE A 70 7.690 -13.310 -9.532 1.00 1.00 C ATOM 0 H ILE A 70 9.454 -9.702 -9.801 1.00 1.00 H new ATOM 0 HA ILE A 70 7.781 -11.206 -7.893 1.00 1.00 H new ATOM 0 HB ILE A 70 10.669 -11.754 -8.691 1.00 1.00 H new ATOM 0 HG12 ILE A 70 9.248 -12.279 -10.562 1.00 1.00 H new ATOM 0 HG13 ILE A 70 9.754 -13.775 -9.802 1.00 1.00 H new ATOM 0 HG21 ILE A 70 10.360 -13.850 -7.432 1.00 1.00 H new ATOM 0 HG22 ILE A 70 10.147 -12.419 -6.395 1.00 1.00 H new ATOM 0 HG23 ILE A 70 8.725 -13.325 -6.965 1.00 1.00 H new ATOM 0 HD11 ILE A 70 7.390 -13.864 -10.422 1.00 1.00 H new ATOM 0 HD12 ILE A 70 7.575 -13.945 -8.653 1.00 1.00 H new ATOM 0 HD13 ILE A 70 7.061 -12.426 -9.426 1.00 1.00 H new ATOM 955 N VAL A 71 8.887 -10.214 -5.873 1.00 1.00 N ATOM 956 CA VAL A 71 9.395 -9.485 -4.718 1.00 1.00 C ATOM 957 C VAL A 71 9.760 -10.438 -3.585 1.00 1.00 C ATOM 958 O VAL A 71 8.884 -10.971 -2.905 1.00 1.00 O ATOM 959 CB VAL A 71 8.367 -8.459 -4.204 1.00 1.00 C ATOM 960 CG1 VAL A 71 8.973 -7.595 -3.106 1.00 1.00 C ATOM 961 CG2 VAL A 71 7.851 -7.601 -5.352 1.00 1.00 C ATOM 0 H VAL A 71 8.121 -10.854 -5.664 1.00 1.00 H new ATOM 0 HA VAL A 71 10.290 -8.956 -5.045 1.00 1.00 H new ATOM 0 HB VAL A 71 7.522 -9.000 -3.778 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.231 -6.877 -2.757 1.00 1.00 H new ATOM 0 HG12 VAL A 71 9.285 -8.228 -2.275 1.00 1.00 H new ATOM 0 HG13 VAL A 71 9.838 -7.061 -3.499 1.00 1.00 H new ATOM 0 HG21 VAL A 71 7.126 -6.882 -4.971 1.00 1.00 H new ATOM 0 HG22 VAL A 71 8.684 -7.068 -5.811 1.00 1.00 H new ATOM 0 HG23 VAL A 71 7.374 -8.238 -6.096 1.00 1.00 H new ATOM 971 N HIS A 72 11.058 -10.646 -3.382 1.00 1.00 N ATOM 972 CA HIS A 72 11.527 -11.535 -2.324 1.00 1.00 C ATOM 973 C HIS A 72 12.547 -10.839 -1.429 1.00 1.00 C ATOM 974 O HIS A 72 13.730 -10.756 -1.759 1.00 1.00 O ATOM 975 CB HIS A 72 12.134 -12.809 -2.921 1.00 1.00 C ATOM 976 CG HIS A 72 13.145 -12.559 -4.000 1.00 1.00 C ATOM 977 ND1 HIS A 72 13.611 -13.554 -4.835 1.00 1.00 N ATOM 978 CD2 HIS A 72 13.784 -11.426 -4.379 1.00 1.00 C ATOM 979 CE1 HIS A 72 14.492 -13.044 -5.677 1.00 1.00 C ATOM 980 NE2 HIS A 72 14.614 -11.755 -5.422 1.00 1.00 N ATOM 0 H HIS A 72 11.800 -10.214 -3.933 1.00 1.00 H new ATOM 0 HA HIS A 72 10.666 -11.806 -1.713 1.00 1.00 H new ATOM 0 HB2 HIS A 72 12.605 -13.383 -2.123 1.00 1.00 H new ATOM 0 HB3 HIS A 72 11.332 -13.426 -3.326 1.00 1.00 H new ATOM 0 HD2 HIS A 72 13.663 -10.446 -3.942 1.00 1.00 H new ATOM 0 HE1 HIS A 72 15.022 -13.589 -6.444 1.00 1.00 H new ATOM 0 HE2 HIS A 72 15.226 -11.108 -5.919 1.00 1.00 H new ATOM 989 N CYS A 73 12.079 -10.350 -0.287 1.00 1.00 N ATOM 990 CA CYS A 73 12.943 -9.669 0.670 1.00 1.00 C ATOM 991 C CYS A 73 12.738 -10.237 2.070 1.00 1.00 C ATOM 992 O CYS A 73 11.749 -9.926 2.734 1.00 1.00 O ATOM 993 CB CYS A 73 12.662 -8.166 0.666 1.00 1.00 C ATOM 994 SG CYS A 73 14.147 -7.143 0.795 1.00 1.00 S ATOM 0 H CYS A 73 11.102 -10.413 -0.000 1.00 1.00 H new ATOM 0 HA CYS A 73 13.980 -9.832 0.375 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.133 -7.908 -0.251 1.00 1.00 H new ATOM 0 HB3 CYS A 73 11.996 -7.929 1.495 1.00 1.00 H new ATOM 0 HG CYS A 73 14.054 -6.372 1.838 1.00 1.00 H new ATOM 1000 N SER A 74 13.667 -11.077 2.512 1.00 1.00 N ATOM 1001 CA SER A 74 13.564 -11.687 3.833 1.00 1.00 C ATOM 1002 C SER A 74 13.645 -10.645 4.926 1.00 1.00 C ATOM 1003 O SER A 74 12.806 -10.628 5.827 1.00 1.00 O ATOM 1004 CB SER A 74 14.646 -12.750 4.027 1.00 1.00 C ATOM 1005 OG SER A 74 14.705 -13.178 5.376 1.00 1.00 O ATOM 0 H SER A 74 14.494 -11.350 1.980 1.00 1.00 H new ATOM 0 HA SER A 74 12.589 -12.170 3.899 1.00 1.00 H new ATOM 0 HB2 SER A 74 14.442 -13.603 3.380 1.00 1.00 H new ATOM 0 HB3 SER A 74 15.614 -12.347 3.727 1.00 1.00 H new ATOM 0 HG SER A 74 15.403 -13.859 5.473 1.00 1.00 H new ATOM 1011 N ASN A 75 14.623 -9.755 4.848 1.00 1.00 N ATOM 1012 CA ASN A 75 14.720 -8.719 5.853 1.00 1.00 C ATOM 1013 C ASN A 75 14.173 -7.420 5.292 1.00 1.00 C ATOM 1014 O ASN A 75 14.895 -6.633 4.680 1.00 1.00 O ATOM 1015 CB ASN A 75 16.172 -8.533 6.295 1.00 1.00 C ATOM 1016 CG ASN A 75 16.783 -9.814 6.828 1.00 1.00 C ATOM 1017 OD1 ASN A 75 16.737 -10.085 8.028 1.00 1.00 O ATOM 1018 ND2 ASN A 75 17.362 -10.610 5.936 1.00 1.00 N ATOM 0 H ASN A 75 15.338 -9.731 4.121 1.00 1.00 H new ATOM 0 HA ASN A 75 14.134 -9.013 6.724 1.00 1.00 H new ATOM 0 HB2 ASN A 75 16.763 -8.176 5.452 1.00 1.00 H new ATOM 0 HB3 ASN A 75 16.219 -7.763 7.066 1.00 1.00 H new ATOM 0 HD21 ASN A 75 17.791 -11.485 6.236 1.00 1.00 H new ATOM 0 HD22 ASN A 75 17.377 -10.346 4.951 1.00 1.00 H new ATOM 1025 N ASP A 76 12.887 -7.203 5.524 1.00 1.00 N ATOM 1026 CA ASP A 76 12.221 -5.992 5.061 1.00 1.00 C ATOM 1027 C ASP A 76 10.907 -5.769 5.806 1.00 1.00 C ATOM 1028 O ASP A 76 10.175 -6.720 6.082 1.00 1.00 O ATOM 1029 CB ASP A 76 11.971 -6.061 3.553 1.00 1.00 C ATOM 1030 CG ASP A 76 12.449 -4.814 2.836 1.00 1.00 C ATOM 1031 OD1 ASP A 76 13.629 -4.778 2.430 1.00 1.00 O ATOM 1032 OD2 ASP A 76 11.643 -3.873 2.682 1.00 1.00 O ATOM 0 H ASP A 76 12.282 -7.850 6.030 1.00 1.00 H new ATOM 0 HA ASP A 76 12.877 -5.147 5.269 1.00 1.00 H new ATOM 0 HB2 ASP A 76 12.480 -6.932 3.141 1.00 1.00 H new ATOM 0 HB3 ASP A 76 10.905 -6.198 3.369 1.00 1.00 H new ATOM 1037 N PRO A 77 10.577 -4.507 6.134 1.00 1.00 N ATOM 1038 CA PRO A 77 9.337 -4.186 6.835 1.00 1.00 C ATOM 1039 C PRO A 77 8.120 -4.756 6.114 1.00 1.00 C ATOM 1040 O PRO A 77 7.118 -5.102 6.739 1.00 1.00 O ATOM 1041 CB PRO A 77 9.290 -2.657 6.830 1.00 1.00 C ATOM 1042 CG PRO A 77 10.683 -2.202 6.571 1.00 1.00 C ATOM 1043 CD PRO A 77 11.381 -3.310 5.838 1.00 1.00 C ATOM 0 HA PRO A 77 9.315 -4.612 7.838 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.611 -2.291 6.060 1.00 1.00 H new ATOM 0 HB3 PRO A 77 8.926 -2.275 7.784 1.00 1.00 H new ATOM 0 HG2 PRO A 77 10.685 -1.287 5.978 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.195 -1.977 7.507 1.00 1.00 H new ATOM 0 HD2 PRO A 77 11.422 -3.114 4.767 1.00 1.00 H new ATOM 0 HD3 PRO A 77 12.409 -3.427 6.180 1.00 1.00 H new ATOM 1051 N LEU A 78 8.222 -4.856 4.791 1.00 1.00 N ATOM 1052 CA LEU A 78 7.137 -5.391 3.977 1.00 1.00 C ATOM 1053 C LEU A 78 6.927 -6.871 4.273 1.00 1.00 C ATOM 1054 O LEU A 78 5.876 -7.271 4.774 1.00 1.00 O ATOM 1055 CB LEU A 78 7.437 -5.190 2.491 1.00 1.00 C ATOM 1056 CG LEU A 78 6.208 -5.134 1.582 1.00 1.00 C ATOM 1057 CD1 LEU A 78 5.284 -4.002 2.004 1.00 1.00 C ATOM 1058 CD2 LEU A 78 6.627 -4.969 0.129 1.00 1.00 C ATOM 0 H LEU A 78 9.046 -4.573 4.261 1.00 1.00 H new ATOM 0 HA LEU A 78 6.223 -4.852 4.227 1.00 1.00 H new ATOM 0 HB2 LEU A 78 8.000 -4.264 2.372 1.00 1.00 H new ATOM 0 HB3 LEU A 78 8.082 -6.001 2.154 1.00 1.00 H new ATOM 0 HG LEU A 78 5.665 -6.074 1.678 1.00 1.00 H new ATOM 0 HD11 LEU A 78 4.415 -3.977 1.346 1.00 1.00 H new ATOM 0 HD12 LEU A 78 4.957 -4.163 3.031 1.00 1.00 H new ATOM 0 HD13 LEU A 78 5.817 -3.053 1.937 1.00 1.00 H new ATOM 0 HD21 LEU A 78 5.740 -4.931 -0.503 1.00 1.00 H new ATOM 0 HD22 LEU A 78 7.193 -4.044 0.016 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.249 -5.813 -0.168 1.00 1.00 H new ATOM 1070 N GLY A 79 7.940 -7.681 3.972 1.00 1.00 N ATOM 1071 CA GLY A 79 7.847 -9.107 4.227 1.00 1.00 C ATOM 1072 C GLY A 79 7.531 -9.398 5.679 1.00 1.00 C ATOM 1073 O GLY A 79 6.864 -10.383 5.996 1.00 1.00 O ATOM 0 H GLY A 79 8.820 -7.375 3.557 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.074 -9.540 3.593 1.00 1.00 H new ATOM 0 HA3 GLY A 79 8.787 -9.587 3.956 1.00 1.00 H new ATOM 1077 N GLU A 80 8.002 -8.523 6.561 1.00 1.00 N ATOM 1078 CA GLU A 80 7.763 -8.666 7.990 1.00 1.00 C ATOM 1079 C GLU A 80 6.307 -8.336 8.314 1.00 1.00 C ATOM 1080 O GLU A 80 5.735 -8.866 9.266 1.00 1.00 O ATOM 1081 CB GLU A 80 8.717 -7.751 8.772 1.00 1.00 C ATOM 1082 CG GLU A 80 8.279 -7.455 10.199 1.00 1.00 C ATOM 1083 CD GLU A 80 7.870 -8.702 10.959 1.00 1.00 C ATOM 1084 OE1 GLU A 80 8.594 -9.717 10.869 1.00 1.00 O ATOM 1085 OE2 GLU A 80 6.828 -8.664 11.646 1.00 1.00 O ATOM 0 H GLU A 80 8.554 -7.704 6.308 1.00 1.00 H new ATOM 0 HA GLU A 80 7.953 -9.698 8.285 1.00 1.00 H new ATOM 0 HB2 GLU A 80 9.704 -8.213 8.797 1.00 1.00 H new ATOM 0 HB3 GLU A 80 8.819 -6.809 8.234 1.00 1.00 H new ATOM 0 HG2 GLU A 80 9.094 -6.963 10.730 1.00 1.00 H new ATOM 0 HG3 GLU A 80 7.443 -6.756 10.180 1.00 1.00 H new ATOM 1092 N LEU A 81 5.715 -7.460 7.507 1.00 1.00 N ATOM 1093 CA LEU A 81 4.326 -7.059 7.695 1.00 1.00 C ATOM 1094 C LEU A 81 3.381 -8.158 7.225 1.00 1.00 C ATOM 1095 O LEU A 81 2.601 -8.701 8.008 1.00 1.00 O ATOM 1096 CB LEU A 81 4.044 -5.769 6.922 1.00 1.00 C ATOM 1097 CG LEU A 81 2.593 -5.286 6.969 1.00 1.00 C ATOM 1098 CD1 LEU A 81 2.195 -4.926 8.392 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.399 -4.095 6.042 1.00 1.00 C ATOM 0 H LEU A 81 6.178 -7.014 6.715 1.00 1.00 H new ATOM 0 HA LEU A 81 4.159 -6.886 8.758 1.00 1.00 H new ATOM 0 HB2 LEU A 81 4.686 -4.981 7.316 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.327 -5.919 5.880 1.00 1.00 H new ATOM 0 HG LEU A 81 1.949 -6.097 6.628 1.00 1.00 H new ATOM 0 HD11 LEU A 81 1.160 -4.585 8.405 1.00 1.00 H new ATOM 0 HD12 LEU A 81 2.296 -5.803 9.031 1.00 1.00 H new ATOM 0 HD13 LEU A 81 2.844 -4.132 8.761 1.00 1.00 H new ATOM 0 HD21 LEU A 81 1.362 -3.764 6.087 1.00 1.00 H new ATOM 0 HD22 LEU A 81 3.054 -3.281 6.353 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.643 -4.386 5.020 1.00 1.00 H new ATOM 1111 N PHE A 82 3.460 -8.480 5.940 1.00 1.00 N ATOM 1112 CA PHE A 82 2.616 -9.514 5.354 1.00 1.00 C ATOM 1113 C PHE A 82 2.926 -10.881 5.958 1.00 1.00 C ATOM 1114 O PHE A 82 2.066 -11.762 5.998 1.00 1.00 O ATOM 1115 CB PHE A 82 2.813 -9.559 3.838 1.00 1.00 C ATOM 1116 CG PHE A 82 2.516 -8.254 3.156 1.00 1.00 C ATOM 1117 CD1 PHE A 82 1.370 -7.540 3.468 1.00 1.00 C ATOM 1118 CD2 PHE A 82 3.382 -7.741 2.204 1.00 1.00 C ATOM 1119 CE1 PHE A 82 1.093 -6.340 2.842 1.00 1.00 C ATOM 1120 CE2 PHE A 82 3.111 -6.541 1.575 1.00 1.00 C ATOM 1121 CZ PHE A 82 1.965 -5.840 1.894 1.00 1.00 C ATOM 0 H PHE A 82 4.102 -8.038 5.282 1.00 1.00 H new ATOM 0 HA PHE A 82 1.577 -9.268 5.575 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.842 -9.847 3.622 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.170 -10.333 3.419 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.686 -7.926 4.209 1.00 1.00 H new ATOM 0 HD2 PHE A 82 4.280 -8.286 1.951 1.00 1.00 H new ATOM 0 HE1 PHE A 82 0.196 -5.793 3.093 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.795 -6.152 0.835 1.00 1.00 H new ATOM 0 HZ PHE A 82 1.751 -4.902 1.403 1.00 1.00 H new ATOM 1131 N GLY A 83 4.158 -11.052 6.428 1.00 1.00 N ATOM 1132 CA GLY A 83 4.557 -12.314 7.024 1.00 1.00 C ATOM 1133 C GLY A 83 5.050 -13.312 5.995 1.00 1.00 C ATOM 1134 O GLY A 83 4.905 -14.521 6.173 1.00 1.00 O ATOM 0 H GLY A 83 4.887 -10.339 6.407 1.00 1.00 H new ATOM 0 HA2 GLY A 83 5.344 -12.134 7.756 1.00 1.00 H new ATOM 0 HA3 GLY A 83 3.711 -12.741 7.563 1.00 1.00 H new ATOM 1138 N VAL A 84 5.635 -12.804 4.915 1.00 1.00 N ATOM 1139 CA VAL A 84 6.151 -13.659 3.854 1.00 1.00 C ATOM 1140 C VAL A 84 7.530 -13.195 3.395 1.00 1.00 C ATOM 1141 O VAL A 84 7.833 -12.002 3.418 1.00 1.00 O ATOM 1142 CB VAL A 84 5.199 -13.691 2.643 1.00 1.00 C ATOM 1143 CG1 VAL A 84 3.842 -14.248 3.046 1.00 1.00 C ATOM 1144 CG2 VAL A 84 5.055 -12.303 2.037 1.00 1.00 C ATOM 0 H VAL A 84 5.763 -11.805 4.752 1.00 1.00 H new ATOM 0 HA VAL A 84 6.230 -14.664 4.268 1.00 1.00 H new ATOM 0 HB VAL A 84 5.627 -14.349 1.886 1.00 1.00 H new ATOM 0 HG11 VAL A 84 3.183 -14.263 2.178 1.00 1.00 H new ATOM 0 HG12 VAL A 84 3.964 -15.262 3.427 1.00 1.00 H new ATOM 0 HG13 VAL A 84 3.406 -13.619 3.822 1.00 1.00 H new ATOM 0 HG21 VAL A 84 4.379 -12.347 1.183 1.00 1.00 H new ATOM 0 HG22 VAL A 84 4.652 -11.620 2.784 1.00 1.00 H new ATOM 0 HG23 VAL A 84 6.031 -11.946 1.709 1.00 1.00 H new ATOM 1154 N GLN A 85 8.361 -14.145 2.981 1.00 1.00 N ATOM 1155 CA GLN A 85 9.707 -13.837 2.518 1.00 1.00 C ATOM 1156 C GLN A 85 9.708 -13.499 1.030 1.00 1.00 C ATOM 1157 O GLN A 85 10.554 -12.741 0.556 1.00 1.00 O ATOM 1158 CB GLN A 85 10.636 -15.022 2.789 1.00 1.00 C ATOM 1159 CG GLN A 85 12.051 -14.814 2.280 1.00 1.00 C ATOM 1160 CD GLN A 85 12.851 -16.101 2.233 1.00 1.00 C ATOM 1161 OE1 GLN A 85 12.609 -17.024 3.011 1.00 1.00 O ATOM 1162 NE2 GLN A 85 13.810 -16.169 1.317 1.00 1.00 N ATOM 0 H GLN A 85 8.124 -15.137 2.957 1.00 1.00 H new ATOM 0 HA GLN A 85 10.067 -12.966 3.065 1.00 1.00 H new ATOM 0 HB2 GLN A 85 10.669 -15.209 3.862 1.00 1.00 H new ATOM 0 HB3 GLN A 85 10.219 -15.914 2.322 1.00 1.00 H new ATOM 0 HG2 GLN A 85 12.013 -14.378 1.282 1.00 1.00 H new ATOM 0 HG3 GLN A 85 12.562 -14.097 2.922 1.00 1.00 H new ATOM 0 HE21 GLN A 85 13.976 -15.380 0.693 1.00 1.00 H new ATOM 0 HE22 GLN A 85 14.381 -17.011 1.238 1.00 1.00 H new ATOM 1171 N GLU A 86 8.756 -14.068 0.296 1.00 1.00 N ATOM 1172 CA GLU A 86 8.649 -13.827 -1.138 1.00 1.00 C ATOM 1173 C GLU A 86 7.197 -13.906 -1.595 1.00 1.00 C ATOM 1174 O GLU A 86 6.403 -14.668 -1.043 1.00 1.00 O ATOM 1175 CB GLU A 86 9.496 -14.840 -1.912 1.00 1.00 C ATOM 1176 CG GLU A 86 9.212 -16.285 -1.533 1.00 1.00 C ATOM 1177 CD GLU A 86 10.271 -17.241 -2.047 1.00 1.00 C ATOM 1178 OE1 GLU A 86 11.419 -17.174 -1.558 1.00 1.00 O ATOM 1179 OE2 GLU A 86 9.953 -18.057 -2.937 1.00 1.00 O ATOM 0 H GLU A 86 8.048 -14.699 0.671 1.00 1.00 H new ATOM 0 HA GLU A 86 9.021 -12.823 -1.341 1.00 1.00 H new ATOM 0 HB2 GLU A 86 9.317 -14.711 -2.979 1.00 1.00 H new ATOM 0 HB3 GLU A 86 10.551 -14.628 -1.738 1.00 1.00 H new ATOM 0 HG2 GLU A 86 9.150 -16.367 -0.448 1.00 1.00 H new ATOM 0 HG3 GLU A 86 8.240 -16.577 -1.931 1.00 1.00 H new ATOM 1186 N PHE A 87 6.854 -13.114 -2.605 1.00 1.00 N ATOM 1187 CA PHE A 87 5.495 -13.097 -3.132 1.00 1.00 C ATOM 1188 C PHE A 87 5.455 -12.477 -4.525 1.00 1.00 C ATOM 1189 O PHE A 87 5.983 -11.387 -4.745 1.00 1.00 O ATOM 1190 CB PHE A 87 4.572 -12.321 -2.191 1.00 1.00 C ATOM 1191 CG PHE A 87 4.942 -10.872 -2.048 1.00 1.00 C ATOM 1192 CD1 PHE A 87 5.920 -10.478 -1.149 1.00 1.00 C ATOM 1193 CD2 PHE A 87 4.311 -9.904 -2.813 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.263 -9.146 -1.016 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.649 -8.570 -2.685 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.626 -8.191 -1.785 1.00 1.00 C ATOM 0 H PHE A 87 7.497 -12.477 -3.074 1.00 1.00 H new ATOM 0 HA PHE A 87 5.149 -14.128 -3.205 1.00 1.00 H new ATOM 0 HB2 PHE A 87 3.548 -12.392 -2.559 1.00 1.00 H new ATOM 0 HB3 PHE A 87 4.590 -12.791 -1.208 1.00 1.00 H new ATOM 0 HD1 PHE A 87 6.420 -11.221 -0.545 1.00 1.00 H new ATOM 0 HD2 PHE A 87 3.546 -10.195 -3.518 1.00 1.00 H new ATOM 0 HE1 PHE A 87 7.028 -8.852 -0.312 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.150 -7.825 -3.288 1.00 1.00 H new ATOM 0 HZ PHE A 87 5.892 -7.149 -1.683 1.00 1.00 H new ATOM 1206 N SER A 88 4.823 -13.177 -5.460 1.00 1.00 N ATOM 1207 CA SER A 88 4.709 -12.692 -6.830 1.00 1.00 C ATOM 1208 C SER A 88 3.551 -11.709 -6.958 1.00 1.00 C ATOM 1209 O SER A 88 2.423 -12.010 -6.568 1.00 1.00 O ATOM 1210 CB SER A 88 4.510 -13.863 -7.794 1.00 1.00 C ATOM 1211 OG SER A 88 3.848 -14.941 -7.157 1.00 1.00 O ATOM 0 H SER A 88 4.382 -14.082 -5.294 1.00 1.00 H new ATOM 0 HA SER A 88 5.634 -12.175 -7.087 1.00 1.00 H new ATOM 0 HB2 SER A 88 3.929 -13.534 -8.656 1.00 1.00 H new ATOM 0 HB3 SER A 88 5.477 -14.197 -8.170 1.00 1.00 H new ATOM 0 HG SER A 88 3.731 -15.676 -7.795 1.00 1.00 H new ATOM 1217 N VAL A 89 3.835 -10.531 -7.505 1.00 1.00 N ATOM 1218 CA VAL A 89 2.812 -9.506 -7.679 1.00 1.00 C ATOM 1219 C VAL A 89 1.810 -9.888 -8.768 1.00 1.00 C ATOM 1220 O VAL A 89 0.785 -9.227 -8.935 1.00 1.00 O ATOM 1221 CB VAL A 89 3.428 -8.136 -8.021 1.00 1.00 C ATOM 1222 CG1 VAL A 89 4.008 -7.491 -6.773 1.00 1.00 C ATOM 1223 CG2 VAL A 89 4.490 -8.273 -9.101 1.00 1.00 C ATOM 0 H VAL A 89 4.762 -10.263 -7.834 1.00 1.00 H new ATOM 0 HA VAL A 89 2.290 -9.432 -6.725 1.00 1.00 H new ATOM 0 HB VAL A 89 2.638 -7.492 -8.408 1.00 1.00 H new ATOM 0 HG11 VAL A 89 4.440 -6.524 -7.030 1.00 1.00 H new ATOM 0 HG12 VAL A 89 3.218 -7.351 -6.035 1.00 1.00 H new ATOM 0 HG13 VAL A 89 4.783 -8.135 -6.357 1.00 1.00 H new ATOM 0 HG21 VAL A 89 4.910 -7.292 -9.325 1.00 1.00 H new ATOM 0 HG22 VAL A 89 5.282 -8.935 -8.751 1.00 1.00 H new ATOM 0 HG23 VAL A 89 4.041 -8.690 -10.002 1.00 1.00 H new ATOM 1233 N LYS A 90 2.107 -10.957 -9.507 1.00 1.00 N ATOM 1234 CA LYS A 90 1.224 -11.417 -10.574 1.00 1.00 C ATOM 1235 C LYS A 90 -0.200 -11.612 -10.060 1.00 1.00 C ATOM 1236 O LYS A 90 -1.169 -11.375 -10.781 1.00 1.00 O ATOM 1237 CB LYS A 90 1.747 -12.728 -11.166 1.00 1.00 C ATOM 1238 CG LYS A 90 1.276 -12.983 -12.589 1.00 1.00 C ATOM 1239 CD LYS A 90 2.403 -12.802 -13.594 1.00 1.00 C ATOM 1240 CE LYS A 90 2.346 -13.852 -14.692 1.00 1.00 C ATOM 1241 NZ LYS A 90 2.556 -15.226 -14.159 1.00 1.00 N ATOM 0 H LYS A 90 2.950 -11.518 -9.385 1.00 1.00 H new ATOM 0 HA LYS A 90 1.208 -10.653 -11.351 1.00 1.00 H new ATOM 0 HB2 LYS A 90 2.837 -12.715 -11.150 1.00 1.00 H new ATOM 0 HB3 LYS A 90 1.428 -13.556 -10.533 1.00 1.00 H new ATOM 0 HG2 LYS A 90 0.879 -13.995 -12.665 1.00 1.00 H new ATOM 0 HG3 LYS A 90 0.460 -12.302 -12.830 1.00 1.00 H new ATOM 0 HD2 LYS A 90 2.341 -11.808 -14.037 1.00 1.00 H new ATOM 0 HD3 LYS A 90 3.363 -12.863 -13.081 1.00 1.00 H new ATOM 0 HE2 LYS A 90 1.379 -13.801 -15.193 1.00 1.00 H new ATOM 0 HE3 LYS A 90 3.106 -13.634 -15.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 2.974 -15.825 -14.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 3.198 -15.187 -13.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 1.643 -15.627 -13.864 1.00 1.00 H new ATOM 1255 N GLU A 91 -0.318 -12.041 -8.807 1.00 1.00 N ATOM 1256 CA GLU A 91 -1.622 -12.263 -8.194 1.00 1.00 C ATOM 1257 C GLU A 91 -2.085 -11.019 -7.443 1.00 1.00 C ATOM 1258 O GLU A 91 -1.894 -10.904 -6.233 1.00 1.00 O ATOM 1259 CB GLU A 91 -1.566 -13.459 -7.241 1.00 1.00 C ATOM 1260 CG GLU A 91 -1.569 -14.803 -7.951 1.00 1.00 C ATOM 1261 CD GLU A 91 -2.928 -15.475 -7.919 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -3.943 -14.757 -7.801 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -2.976 -16.720 -8.011 1.00 1.00 O ATOM 0 H GLU A 91 0.474 -12.242 -8.197 1.00 1.00 H new ATOM 0 HA GLU A 91 -2.339 -12.476 -8.987 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -0.668 -13.383 -6.628 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -2.419 -13.413 -6.563 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -1.261 -14.663 -8.987 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -0.833 -15.458 -7.485 1.00 1.00 H new ATOM 1270 N HIS A 92 -2.690 -10.087 -8.172 1.00 1.00 N ATOM 1271 CA HIS A 92 -3.176 -8.847 -7.580 1.00 1.00 C ATOM 1272 C HIS A 92 -4.217 -9.125 -6.499 1.00 1.00 C ATOM 1273 O HIS A 92 -4.196 -8.512 -5.432 1.00 1.00 O ATOM 1274 CB HIS A 92 -3.775 -7.944 -8.659 1.00 1.00 C ATOM 1275 CG HIS A 92 -2.747 -7.281 -9.522 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -3.060 -6.613 -10.688 1.00 1.00 N ATOM 1277 CD2 HIS A 92 -1.403 -7.183 -9.385 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -1.954 -6.135 -11.230 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -0.935 -6.467 -10.458 1.00 1.00 N ATOM 0 H HIS A 92 -2.855 -10.168 -9.175 1.00 1.00 H new ATOM 0 HA HIS A 92 -2.329 -8.341 -7.118 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -4.440 -8.536 -9.289 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -4.386 -7.178 -8.182 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -3.999 -6.505 -11.072 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -0.810 -7.592 -8.581 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -1.893 -5.569 -12.148 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.128 -10.051 -6.784 1.00 1.00 N ATOM 1289 CA ARG A 93 -6.180 -10.407 -5.837 1.00 1.00 C ATOM 1290 C ARG A 93 -5.595 -10.790 -4.480 1.00 1.00 C ATOM 1291 O ARG A 93 -6.222 -10.581 -3.442 1.00 1.00 O ATOM 1292 CB ARG A 93 -7.019 -11.563 -6.386 1.00 1.00 C ATOM 1293 CG ARG A 93 -6.192 -12.764 -6.817 1.00 1.00 C ATOM 1294 CD ARG A 93 -6.751 -13.402 -8.079 1.00 1.00 C ATOM 1295 NE ARG A 93 -6.614 -12.527 -9.241 1.00 1.00 N ATOM 1296 CZ ARG A 93 -6.840 -12.917 -10.493 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -7.214 -14.165 -10.750 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -6.692 -12.058 -11.492 1.00 1.00 N ATOM 0 H ARG A 93 -5.159 -10.568 -7.663 1.00 1.00 H new ATOM 0 HA ARG A 93 -6.817 -9.533 -5.701 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -7.732 -11.878 -5.624 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -7.599 -11.207 -7.237 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -5.162 -12.454 -6.991 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -6.172 -13.501 -6.014 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -6.233 -14.342 -8.270 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -7.803 -13.642 -7.928 1.00 1.00 H new ATOM 0 HE ARG A 93 -6.328 -11.561 -9.083 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -7.329 -14.830 -9.986 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -7.386 -14.458 -11.712 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -6.405 -11.098 -11.301 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -6.865 -12.357 -12.452 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.391 -11.352 -4.496 1.00 1.00 N ATOM 1313 CA ARG A 94 -3.724 -11.763 -3.266 1.00 1.00 C ATOM 1314 C ARG A 94 -3.289 -10.551 -2.448 1.00 1.00 C ATOM 1315 O ARG A 94 -3.620 -10.434 -1.269 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.511 -12.639 -3.588 1.00 1.00 C ATOM 1317 CG ARG A 94 -2.809 -14.130 -3.543 1.00 1.00 C ATOM 1318 CD ARG A 94 -1.730 -14.894 -2.793 1.00 1.00 C ATOM 1319 NE ARG A 94 -1.909 -14.816 -1.346 1.00 1.00 N ATOM 1320 CZ ARG A 94 -0.945 -15.072 -0.464 1.00 1.00 C ATOM 1321 NH1 ARG A 94 0.266 -15.425 -0.877 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -1.193 -14.975 0.835 1.00 1.00 N ATOM 0 H ARG A 94 -3.858 -11.533 -5.346 1.00 1.00 H new ATOM 0 HA ARG A 94 -4.434 -12.340 -2.673 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -2.140 -12.381 -4.580 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.713 -12.415 -2.880 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.773 -14.295 -3.062 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -2.890 -14.516 -4.559 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -1.743 -15.939 -3.104 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -0.751 -14.494 -3.059 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.827 -14.550 -0.990 1.00 1.00 H new ATOM 0 HH11 ARG A 94 0.462 -15.501 -1.875 1.00 1.00 H new ATOM 0 HH12 ARG A 94 1.000 -15.620 -0.196 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -2.122 -14.704 1.158 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -0.455 -15.171 1.511 1.00 1.00 H new ATOM 1336 N ILE A 95 -2.544 -9.651 -3.084 1.00 1.00 N ATOM 1337 CA ILE A 95 -2.061 -8.446 -2.416 1.00 1.00 C ATOM 1338 C ILE A 95 -3.210 -7.657 -1.795 1.00 1.00 C ATOM 1339 O ILE A 95 -3.161 -7.294 -0.620 1.00 1.00 O ATOM 1340 CB ILE A 95 -1.289 -7.538 -3.392 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.153 -8.324 -4.050 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -0.750 -6.310 -2.666 1.00 1.00 C ATOM 1343 CD1 ILE A 95 0.719 -7.485 -4.955 1.00 1.00 C ATOM 0 H ILE A 95 -2.262 -9.733 -4.061 1.00 1.00 H new ATOM 0 HA ILE A 95 -1.386 -8.771 -1.624 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.971 -7.197 -4.171 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.468 -8.769 -3.272 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.578 -9.145 -4.628 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -0.207 -5.680 -3.371 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.580 -5.746 -2.239 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -0.077 -6.625 -1.868 1.00 1.00 H new ATOM 0 HD11 ILE A 95 1.502 -8.109 -5.386 1.00 1.00 H new ATOM 0 HD12 ILE A 95 0.112 -7.061 -5.755 1.00 1.00 H new ATOM 0 HD13 ILE A 95 1.173 -6.679 -4.378 1.00 1.00 H new ATOM 1355 N TYR A 96 -4.244 -7.396 -2.590 1.00 1.00 N ATOM 1356 CA TYR A 96 -5.408 -6.652 -2.117 1.00 1.00 C ATOM 1357 C TYR A 96 -5.927 -7.231 -0.803 1.00 1.00 C ATOM 1358 O TYR A 96 -6.265 -6.492 0.121 1.00 1.00 O ATOM 1359 CB TYR A 96 -6.518 -6.682 -3.170 1.00 1.00 C ATOM 1360 CG TYR A 96 -6.473 -5.523 -4.141 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -5.685 -5.579 -5.285 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -7.223 -4.375 -3.917 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -5.646 -4.524 -6.177 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -7.190 -3.316 -4.805 1.00 1.00 C ATOM 1365 CZ TYR A 96 -6.400 -3.396 -5.933 1.00 1.00 C ATOM 1366 OH TYR A 96 -6.364 -2.344 -6.819 1.00 1.00 O ATOM 0 H TYR A 96 -4.300 -7.689 -3.565 1.00 1.00 H new ATOM 0 HA TYR A 96 -5.103 -5.620 -1.945 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -6.449 -7.615 -3.730 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -7.484 -6.683 -2.665 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -5.094 -6.461 -5.480 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -7.842 -4.309 -3.034 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -5.028 -4.583 -7.061 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -7.779 -2.431 -4.617 1.00 1.00 H new ATOM 0 HH TYR A 96 -6.952 -1.628 -6.501 1.00 1.00 H new ATOM 1376 N ALA A 97 -5.985 -8.557 -0.729 1.00 1.00 N ATOM 1377 CA ALA A 97 -6.461 -9.238 0.470 1.00 1.00 C ATOM 1378 C ALA A 97 -5.433 -9.160 1.593 1.00 1.00 C ATOM 1379 O ALA A 97 -5.789 -9.066 2.768 1.00 1.00 O ATOM 1380 CB ALA A 97 -6.793 -10.689 0.155 1.00 1.00 C ATOM 0 H ALA A 97 -5.708 -9.182 -1.486 1.00 1.00 H new ATOM 0 HA ALA A 97 -7.366 -8.734 0.808 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -7.147 -11.186 1.058 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -7.570 -10.727 -0.608 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -5.900 -11.195 -0.211 1.00 1.00 H new ATOM 1386 N MET A 98 -4.156 -9.200 1.227 1.00 1.00 N ATOM 1387 CA MET A 98 -3.077 -9.133 2.207 1.00 1.00 C ATOM 1388 C MET A 98 -3.153 -7.839 3.011 1.00 1.00 C ATOM 1389 O MET A 98 -3.487 -7.849 4.196 1.00 1.00 O ATOM 1390 CB MET A 98 -1.718 -9.235 1.512 1.00 1.00 C ATOM 1391 CG MET A 98 -1.461 -10.588 0.869 1.00 1.00 C ATOM 1392 SD MET A 98 0.241 -11.146 1.078 1.00 1.00 S ATOM 1393 CE MET A 98 1.055 -10.252 -0.243 1.00 1.00 C ATOM 0 H MET A 98 -3.843 -9.278 0.259 1.00 1.00 H new ATOM 0 HA MET A 98 -3.190 -9.974 2.891 1.00 1.00 H new ATOM 0 HB2 MET A 98 -1.652 -8.461 0.748 1.00 1.00 H new ATOM 0 HB3 MET A 98 -0.932 -9.033 2.239 1.00 1.00 H new ATOM 0 HG2 MET A 98 -2.137 -11.326 1.302 1.00 1.00 H new ATOM 0 HG3 MET A 98 -1.692 -10.530 -0.195 1.00 1.00 H new ATOM 0 HE1 MET A 98 2.118 -10.493 -0.244 1.00 1.00 H new ATOM 0 HE2 MET A 98 0.617 -10.538 -1.199 1.00 1.00 H new ATOM 0 HE3 MET A 98 0.926 -9.180 -0.091 1.00 1.00 H new ATOM 1403 N ILE A 99 -2.839 -6.725 2.356 1.00 1.00 N ATOM 1404 CA ILE A 99 -2.867 -5.416 3.002 1.00 1.00 C ATOM 1405 C ILE A 99 -4.174 -5.188 3.757 1.00 1.00 C ATOM 1406 O ILE A 99 -4.187 -4.556 4.813 1.00 1.00 O ATOM 1407 CB ILE A 99 -2.676 -4.279 1.978 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -3.611 -4.470 0.780 1.00 1.00 C ATOM 1409 CG2 ILE A 99 -1.227 -4.218 1.520 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -4.959 -3.807 0.953 1.00 1.00 C ATOM 0 H ILE A 99 -2.561 -6.703 1.375 1.00 1.00 H new ATOM 0 HA ILE A 99 -2.040 -5.405 3.712 1.00 1.00 H new ATOM 0 HB ILE A 99 -2.927 -3.334 2.460 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -3.130 -4.070 -0.113 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -3.759 -5.537 0.612 1.00 1.00 H new ATOM 0 HG21 ILE A 99 -1.107 -3.411 0.797 1.00 1.00 H new ATOM 0 HG22 ILE A 99 -0.581 -4.035 2.379 1.00 1.00 H new ATOM 0 HG23 ILE A 99 -0.952 -5.165 1.055 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -5.568 -3.984 0.066 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -5.460 -4.224 1.827 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -4.822 -2.734 1.091 1.00 1.00 H new ATOM 1422 N SER A 100 -5.273 -5.704 3.211 1.00 1.00 N ATOM 1423 CA SER A 100 -6.583 -5.551 3.840 1.00 1.00 C ATOM 1424 C SER A 100 -6.562 -6.055 5.280 1.00 1.00 C ATOM 1425 O SER A 100 -6.995 -5.358 6.198 1.00 1.00 O ATOM 1426 CB SER A 100 -7.651 -6.301 3.040 1.00 1.00 C ATOM 1427 OG SER A 100 -7.716 -7.664 3.422 1.00 1.00 O ATOM 0 H SER A 100 -5.283 -6.230 2.337 1.00 1.00 H new ATOM 0 HA SER A 100 -6.827 -4.489 3.851 1.00 1.00 H new ATOM 0 HB2 SER A 100 -8.622 -5.831 3.195 1.00 1.00 H new ATOM 0 HB3 SER A 100 -7.428 -6.229 1.975 1.00 1.00 H new ATOM 0 HG SER A 100 -6.888 -8.118 3.158 1.00 1.00 H new ATOM 1433 N ARG A 101 -6.052 -7.267 5.470 1.00 1.00 N ATOM 1434 CA ARG A 101 -5.971 -7.862 6.799 1.00 1.00 C ATOM 1435 C ARG A 101 -5.147 -6.986 7.740 1.00 1.00 C ATOM 1436 O ARG A 101 -5.300 -7.052 8.959 1.00 1.00 O ATOM 1437 CB ARG A 101 -5.356 -9.261 6.719 1.00 1.00 C ATOM 1438 CG ARG A 101 -6.064 -10.183 5.739 1.00 1.00 C ATOM 1439 CD ARG A 101 -5.129 -11.258 5.207 1.00 1.00 C ATOM 1440 NE ARG A 101 -5.431 -12.574 5.767 1.00 1.00 N ATOM 1441 CZ ARG A 101 -5.022 -12.982 6.966 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -4.294 -12.182 7.736 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -5.342 -14.195 7.398 1.00 1.00 N ATOM 0 H ARG A 101 -5.689 -7.856 4.721 1.00 1.00 H new ATOM 0 HA ARG A 101 -6.983 -7.939 7.196 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -4.309 -9.172 6.430 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -5.375 -9.714 7.710 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -6.916 -10.652 6.231 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -6.458 -9.598 4.908 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -5.206 -11.300 4.121 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -4.099 -10.991 5.443 1.00 1.00 H new ATOM 0 HE ARG A 101 -5.988 -13.218 5.206 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -4.045 -11.248 7.410 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -3.984 -12.501 8.654 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -5.901 -14.814 6.811 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -5.029 -14.508 8.317 1.00 1.00 H new ATOM 1457 N ASN A 102 -4.271 -6.168 7.163 1.00 1.00 N ATOM 1458 CA ASN A 102 -3.420 -5.281 7.947 1.00 1.00 C ATOM 1459 C ASN A 102 -4.156 -3.993 8.309 1.00 1.00 C ATOM 1460 O ASN A 102 -3.917 -3.406 9.363 1.00 1.00 O ATOM 1461 CB ASN A 102 -2.146 -4.953 7.166 1.00 1.00 C ATOM 1462 CG ASN A 102 -1.276 -6.175 6.942 1.00 1.00 C ATOM 1463 OD1 ASN A 102 -1.470 -7.212 7.575 1.00 1.00 O ATOM 1464 ND2 ASN A 102 -0.310 -6.058 6.038 1.00 1.00 N ATOM 0 H ASN A 102 -4.133 -6.102 6.155 1.00 1.00 H new ATOM 0 HA ASN A 102 -3.154 -5.793 8.872 1.00 1.00 H new ATOM 0 HB2 ASN A 102 -2.415 -4.520 6.203 1.00 1.00 H new ATOM 0 HB3 ASN A 102 -1.575 -4.198 7.707 1.00 1.00 H new ATOM 0 HD21 ASN A 102 0.307 -6.847 5.846 1.00 1.00 H new ATOM 0 HD22 ASN A 102 -0.185 -5.179 5.536 1.00 1.00 H new ATOM 1471 N LEU A 103 -5.050 -3.559 7.426 1.00 1.00 N ATOM 1472 CA LEU A 103 -5.821 -2.339 7.650 1.00 1.00 C ATOM 1473 C LEU A 103 -6.509 -2.361 9.013 1.00 1.00 C ATOM 1474 O LEU A 103 -7.347 -3.221 9.282 1.00 1.00 O ATOM 1475 CB LEU A 103 -6.865 -2.162 6.545 1.00 1.00 C ATOM 1476 CG LEU A 103 -6.308 -2.157 5.121 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -7.420 -1.913 4.111 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -5.217 -1.105 4.982 1.00 1.00 C ATOM 0 H LEU A 103 -5.259 -4.034 6.548 1.00 1.00 H new ATOM 0 HA LEU A 103 -5.128 -1.498 7.630 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -7.599 -2.963 6.629 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -7.395 -1.225 6.714 1.00 1.00 H new ATOM 0 HG LEU A 103 -5.872 -3.135 4.918 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -7.003 -1.913 3.104 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -8.167 -2.702 4.195 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -7.887 -0.949 4.310 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -4.831 -1.114 3.963 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -5.630 -0.121 5.205 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -4.408 -1.325 5.679 1.00 1.00 H new ATOM 1490 N VAL A 104 -6.149 -1.409 9.869 1.00 1.00 N ATOM 1491 CA VAL A 104 -6.733 -1.322 11.202 1.00 1.00 C ATOM 1492 C VAL A 104 -8.057 -0.561 11.178 1.00 1.00 C ATOM 1493 O VAL A 104 -9.051 -1.007 11.750 1.00 1.00 O ATOM 1494 CB VAL A 104 -5.771 -0.643 12.201 1.00 1.00 C ATOM 1495 CG1 VAL A 104 -4.459 -1.409 12.281 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -5.521 0.811 11.820 1.00 1.00 C ATOM 0 H VAL A 104 -5.457 -0.689 9.663 1.00 1.00 H new ATOM 0 HA VAL A 104 -6.915 -2.345 11.532 1.00 1.00 H new ATOM 0 HB VAL A 104 -6.241 -0.656 13.184 1.00 1.00 H new ATOM 0 HG11 VAL A 104 -3.793 -0.917 12.990 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -4.653 -2.429 12.614 1.00 1.00 H new ATOM 0 HG13 VAL A 104 -3.990 -1.431 11.297 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -4.840 1.264 12.541 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -5.078 0.855 10.825 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -6.466 1.355 11.821 1.00 1.00 H new ATOM 1506 N SER A 105 -8.061 0.589 10.511 1.00 1.00 N ATOM 1507 CA SER A 105 -9.261 1.412 10.409 1.00 1.00 C ATOM 1508 C SER A 105 -9.845 1.355 9.000 1.00 1.00 C ATOM 1509 O SER A 105 -9.113 1.244 8.017 1.00 1.00 O ATOM 1510 CB SER A 105 -8.947 2.861 10.787 1.00 1.00 C ATOM 1511 OG SER A 105 -10.038 3.460 11.464 1.00 1.00 O ATOM 0 H SER A 105 -7.246 0.972 10.033 1.00 1.00 H new ATOM 0 HA SER A 105 -10.001 1.016 11.104 1.00 1.00 H new ATOM 0 HB2 SER A 105 -8.061 2.891 11.421 1.00 1.00 H new ATOM 0 HB3 SER A 105 -8.715 3.432 9.888 1.00 1.00 H new ATOM 0 HG SER A 105 -9.811 4.385 11.696 1.00 1.00 H new ATOM 1517 N ALA A 106 -11.169 1.431 8.913 1.00 1.00 N ATOM 1518 CA ALA A 106 -11.859 1.387 7.629 1.00 1.00 C ATOM 1519 C ALA A 106 -12.533 2.720 7.318 1.00 1.00 C ATOM 1520 O ALA A 106 -12.867 3.484 8.224 1.00 1.00 O ATOM 1521 CB ALA A 106 -12.882 0.261 7.619 1.00 1.00 C ATOM 0 H ALA A 106 -11.787 1.524 9.719 1.00 1.00 H new ATOM 0 HA ALA A 106 -11.117 1.197 6.853 1.00 1.00 H new ATOM 0 HB1 ALA A 106 -13.390 0.239 6.655 1.00 1.00 H new ATOM 0 HB2 ALA A 106 -12.377 -0.691 7.785 1.00 1.00 H new ATOM 0 HB3 ALA A 106 -13.613 0.426 8.410 1.00 1.00 H new ATOM 1527 N ASN A 107 -12.731 2.994 6.031 1.00 1.00 N ATOM 1528 CA ASN A 107 -13.365 4.234 5.598 1.00 1.00 C ATOM 1529 C ASN A 107 -14.742 4.394 6.236 1.00 1.00 C ATOM 1530 O ASN A 107 -15.652 3.604 5.983 1.00 1.00 O ATOM 1531 CB ASN A 107 -13.506 4.242 4.076 1.00 1.00 C ATOM 1532 CG ASN A 107 -14.218 3.007 3.559 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -13.586 1.997 3.247 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -15.540 3.081 3.466 1.00 1.00 N ATOM 0 H ASN A 107 -12.461 2.372 5.269 1.00 1.00 H new ATOM 0 HA ASN A 107 -12.736 5.066 5.914 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -14.056 5.131 3.769 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -12.517 4.306 3.622 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -16.073 2.281 3.125 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -16.023 3.938 3.736 1.00 1.00 H new ATOM 1541 N VAL A 108 -14.887 5.423 7.064 1.00 1.00 N ATOM 1542 CA VAL A 108 -16.151 5.692 7.739 1.00 1.00 C ATOM 1543 C VAL A 108 -16.614 7.125 7.485 1.00 1.00 C ATOM 1544 O VAL A 108 -15.817 7.991 7.125 1.00 1.00 O ATOM 1545 CB VAL A 108 -16.048 5.441 9.260 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -15.450 6.643 9.977 1.00 1.00 C ATOM 1547 CG2 VAL A 108 -17.414 5.097 9.834 1.00 1.00 C ATOM 0 H VAL A 108 -14.143 6.085 7.284 1.00 1.00 H new ATOM 0 HA VAL A 108 -16.886 5.002 7.325 1.00 1.00 H new ATOM 0 HB VAL A 108 -15.381 4.594 9.419 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -15.390 6.437 11.046 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -14.450 6.838 9.589 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -16.081 7.516 9.811 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -17.325 4.923 10.906 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -18.102 5.924 9.657 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -17.796 4.197 9.351 1.00 1.00 H new ATOM 1557 N LYS A 109 -17.905 7.366 7.675 1.00 1.00 N ATOM 1558 CA LYS A 109 -18.474 8.693 7.468 1.00 1.00 C ATOM 1559 C LYS A 109 -17.845 9.708 8.418 1.00 1.00 C ATOM 1560 O LYS A 109 -18.312 9.892 9.542 1.00 1.00 O ATOM 1561 CB LYS A 109 -19.989 8.659 7.669 1.00 1.00 C ATOM 1562 CG LYS A 109 -20.758 8.222 6.433 1.00 1.00 C ATOM 1563 CD LYS A 109 -21.054 6.731 6.459 1.00 1.00 C ATOM 1564 CE LYS A 109 -20.983 6.125 5.067 1.00 1.00 C ATOM 1565 NZ LYS A 109 -21.388 4.692 5.064 1.00 1.00 N ATOM 0 H LYS A 109 -18.579 6.660 7.972 1.00 1.00 H new ATOM 0 HA LYS A 109 -18.258 8.998 6.444 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -20.223 7.982 8.490 1.00 1.00 H new ATOM 0 HB3 LYS A 109 -20.330 9.651 7.967 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -21.693 8.779 6.369 1.00 1.00 H new ATOM 0 HG3 LYS A 109 -20.182 8.464 5.540 1.00 1.00 H new ATOM 0 HD2 LYS A 109 -20.341 6.229 7.113 1.00 1.00 H new ATOM 0 HD3 LYS A 109 -22.045 6.563 6.880 1.00 1.00 H new ATOM 0 HE2 LYS A 109 -21.630 6.687 4.393 1.00 1.00 H new ATOM 0 HE3 LYS A 109 -19.967 6.216 4.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 -21.326 4.316 4.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 -20.755 4.151 5.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 -22.366 4.607 5.406 1.00 1.00 H new ATOM 1579 N GLU A 110 -16.784 10.363 7.958 1.00 1.00 N ATOM 1580 CA GLU A 110 -16.091 11.358 8.768 1.00 1.00 C ATOM 1581 C GLU A 110 -15.564 12.496 7.899 1.00 1.00 C ATOM 1582 O GLU A 110 -15.793 12.524 6.690 1.00 1.00 O ATOM 1583 CB GLU A 110 -14.937 10.710 9.534 1.00 1.00 C ATOM 1584 CG GLU A 110 -15.340 10.164 10.895 1.00 1.00 C ATOM 1585 CD GLU A 110 -14.355 10.534 11.986 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -13.808 11.656 11.937 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -14.131 9.702 12.891 1.00 1.00 O ATOM 0 H GLU A 110 -16.386 10.223 7.029 1.00 1.00 H new ATOM 0 HA GLU A 110 -16.805 11.770 9.481 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -14.524 9.899 8.934 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -14.143 11.444 9.667 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -16.327 10.545 11.157 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -15.422 9.079 10.837 1.00 1.00 H new ATOM 1594 N SER A 111 -14.858 13.433 8.524 1.00 1.00 N ATOM 1595 CA SER A 111 -14.298 14.573 7.808 1.00 1.00 C ATOM 1596 C SER A 111 -12.774 14.514 7.800 1.00 1.00 C ATOM 1597 O SER A 111 -12.146 14.278 8.832 1.00 1.00 O ATOM 1598 CB SER A 111 -14.765 15.882 8.447 1.00 1.00 C ATOM 1599 OG SER A 111 -14.613 16.970 7.552 1.00 1.00 O ATOM 0 H SER A 111 -14.660 13.425 9.525 1.00 1.00 H new ATOM 0 HA SER A 111 -14.651 14.533 6.778 1.00 1.00 H new ATOM 0 HB2 SER A 111 -15.811 15.793 8.742 1.00 1.00 H new ATOM 0 HB3 SER A 111 -14.192 16.071 9.355 1.00 1.00 H new ATOM 0 HG SER A 111 -14.920 17.794 7.984 1.00 1.00 H new ATOM 1605 N SER A 112 -12.185 14.730 6.628 1.00 1.00 N ATOM 1606 CA SER A 112 -10.734 14.702 6.485 1.00 1.00 C ATOM 1607 C SER A 112 -10.141 16.094 6.674 1.00 1.00 C ATOM 1608 O SER A 112 -10.660 17.078 6.145 1.00 1.00 O ATOM 1609 CB SER A 112 -10.347 14.152 5.111 1.00 1.00 C ATOM 1610 OG SER A 112 -10.497 15.140 4.105 1.00 1.00 O ATOM 0 H SER A 112 -12.690 14.926 5.764 1.00 1.00 H new ATOM 0 HA SER A 112 -10.330 14.048 7.258 1.00 1.00 H new ATOM 0 HB2 SER A 112 -9.314 13.805 5.133 1.00 1.00 H new ATOM 0 HB3 SER A 112 -10.969 13.289 4.873 1.00 1.00 H new ATOM 0 HG SER A 112 -10.242 14.764 3.237 1.00 1.00 H new ATOM 1616 N GLU A 113 -9.051 16.170 7.430 1.00 1.00 N ATOM 1617 CA GLU A 113 -8.387 17.442 7.689 1.00 1.00 C ATOM 1618 C GLU A 113 -7.914 18.083 6.388 1.00 1.00 C ATOM 1619 O GLU A 113 -7.801 17.415 5.360 1.00 1.00 O ATOM 1620 CB GLU A 113 -7.200 17.239 8.632 1.00 1.00 C ATOM 1621 CG GLU A 113 -7.539 16.423 9.869 1.00 1.00 C ATOM 1622 CD GLU A 113 -7.095 14.978 9.752 1.00 1.00 C ATOM 1623 OE1 GLU A 113 -7.064 14.456 8.618 1.00 1.00 O ATOM 1624 OE2 GLU A 113 -6.778 14.368 10.795 1.00 1.00 O ATOM 0 H GLU A 113 -8.609 15.365 7.874 1.00 1.00 H new ATOM 0 HA GLU A 113 -9.107 18.110 8.162 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -6.396 16.743 8.089 1.00 1.00 H new ATOM 0 HB3 GLU A 113 -6.822 18.213 8.942 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -7.065 16.876 10.740 1.00 1.00 H new ATOM 0 HG3 GLU A 113 -8.615 16.456 10.038 1.00 1.00 H new ATOM 1631 N ASP A 114 -7.637 19.382 6.440 1.00 1.00 N ATOM 1632 CA ASP A 114 -7.176 20.113 5.266 1.00 1.00 C ATOM 1633 C ASP A 114 -5.653 20.100 5.182 1.00 1.00 C ATOM 1634 O ASP A 114 -4.966 20.005 6.199 1.00 1.00 O ATOM 1635 CB ASP A 114 -7.684 21.555 5.305 1.00 1.00 C ATOM 1636 CG ASP A 114 -7.348 22.251 6.610 1.00 1.00 C ATOM 1637 OD1 ASP A 114 -6.287 21.942 7.191 1.00 1.00 O ATOM 1638 OD2 ASP A 114 -8.146 23.105 7.049 1.00 1.00 O ATOM 0 H ASP A 114 -7.724 19.950 7.283 1.00 1.00 H new ATOM 0 HA ASP A 114 -7.576 19.619 4.380 1.00 1.00 H new ATOM 0 HB2 ASP A 114 -7.249 22.113 4.476 1.00 1.00 H new ATOM 0 HB3 ASP A 114 -8.764 21.561 5.161 1.00 1.00 H new ATOM 1643 N ILE A 115 -5.133 20.209 3.964 1.00 1.00 N ATOM 1644 CA ILE A 115 -3.702 20.224 3.744 1.00 1.00 C ATOM 1645 C ILE A 115 -3.257 21.601 3.286 1.00 1.00 C ATOM 1646 O ILE A 115 -3.427 21.976 2.126 1.00 1.00 O ATOM 1647 CB ILE A 115 -3.279 19.180 2.693 1.00 1.00 C ATOM 1648 CG1 ILE A 115 -3.905 17.821 3.012 1.00 1.00 C ATOM 1649 CG2 ILE A 115 -1.763 19.071 2.635 1.00 1.00 C ATOM 1650 CD1 ILE A 115 -3.672 16.781 1.937 1.00 1.00 C ATOM 0 H ILE A 115 -5.690 20.288 3.113 1.00 1.00 H new ATOM 0 HA ILE A 115 -3.223 19.975 4.691 1.00 1.00 H new ATOM 0 HB ILE A 115 -3.638 19.504 1.716 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -3.498 17.455 3.955 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -4.978 17.949 3.156 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -1.480 18.329 1.888 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -1.339 20.038 2.365 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -1.382 18.767 3.610 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -4.143 15.843 2.230 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -4.104 17.126 0.997 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -2.601 16.624 1.808 1.00 1.00 H new ATOM 1662 N PHE A 116 -2.686 22.343 4.212 1.00 1.00 N ATOM 1663 CA PHE A 116 -2.202 23.690 3.935 1.00 1.00 C ATOM 1664 C PHE A 116 -0.721 23.673 3.567 1.00 1.00 C ATOM 1665 O PHE A 116 -0.248 24.525 2.816 1.00 1.00 O ATOM 1666 CB PHE A 116 -2.427 24.595 5.147 1.00 1.00 C ATOM 1667 CG PHE A 116 -3.851 25.049 5.301 1.00 1.00 C ATOM 1668 CD1 PHE A 116 -4.503 25.692 4.261 1.00 1.00 C ATOM 1669 CD2 PHE A 116 -4.537 24.832 6.486 1.00 1.00 C ATOM 1670 CE1 PHE A 116 -5.813 26.110 4.400 1.00 1.00 C ATOM 1671 CE2 PHE A 116 -5.847 25.248 6.630 1.00 1.00 C ATOM 1672 CZ PHE A 116 -6.486 25.888 5.586 1.00 1.00 C ATOM 0 H PHE A 116 -2.542 22.037 5.174 1.00 1.00 H new ATOM 0 HA PHE A 116 -2.764 24.082 3.087 1.00 1.00 H new ATOM 0 HB2 PHE A 116 -2.124 24.063 6.049 1.00 1.00 H new ATOM 0 HB3 PHE A 116 -1.782 25.470 5.062 1.00 1.00 H new ATOM 0 HD1 PHE A 116 -3.982 25.868 3.332 1.00 1.00 H new ATOM 0 HD2 PHE A 116 -4.042 24.332 7.306 1.00 1.00 H new ATOM 0 HE1 PHE A 116 -6.310 26.610 3.582 1.00 1.00 H new ATOM 0 HE2 PHE A 116 -6.371 25.073 7.558 1.00 1.00 H new ATOM 0 HZ PHE A 116 -7.510 26.214 5.697 1.00 1.00 H new ATOM 1682 N GLY A 117 0.006 22.697 4.102 1.00 1.00 N ATOM 1683 CA GLY A 117 1.425 22.588 3.817 1.00 1.00 C ATOM 1684 C GLY A 117 2.255 23.563 4.628 1.00 1.00 C ATOM 1685 O GLY A 117 3.324 23.990 4.193 1.00 1.00 O ATOM 0 H GLY A 117 -0.362 21.980 4.727 1.00 1.00 H new ATOM 0 HA2 GLY A 117 1.757 21.571 4.026 1.00 1.00 H new ATOM 0 HA3 GLY A 117 1.594 22.767 2.755 1.00 1.00 H new ATOM 1689 N ASN A 118 1.762 23.916 5.811 1.00 1.00 N ATOM 1690 CA ASN A 118 2.466 24.847 6.685 1.00 1.00 C ATOM 1691 C ASN A 118 3.289 24.098 7.728 1.00 1.00 C ATOM 1692 O ASN A 118 2.747 23.342 8.534 1.00 1.00 O ATOM 1693 CB ASN A 118 1.472 25.781 7.378 1.00 1.00 C ATOM 1694 CG ASN A 118 2.138 27.020 7.942 1.00 1.00 C ATOM 1695 OD1 ASN A 118 3.359 27.167 7.876 1.00 1.00 O ATOM 1696 ND2 ASN A 118 1.337 27.920 8.501 1.00 1.00 N ATOM 0 H ASN A 118 0.878 23.571 6.186 1.00 1.00 H new ATOM 0 HA ASN A 118 3.144 25.440 6.071 1.00 1.00 H new ATOM 0 HB2 ASN A 118 0.701 26.078 6.667 1.00 1.00 H new ATOM 0 HB3 ASN A 118 0.972 25.242 8.183 1.00 1.00 H new ATOM 0 HD21 ASN A 118 1.728 28.774 8.898 1.00 1.00 H new ATOM 0 HD22 ASN A 118 0.331 27.757 8.534 1.00 1.00 H new ATOM 1703 N VAL A 119 4.600 24.313 7.707 1.00 1.00 N ATOM 1704 CA VAL A 119 5.498 23.658 8.651 1.00 1.00 C ATOM 1705 C VAL A 119 5.480 22.145 8.466 1.00 1.00 C ATOM 1706 O VAL A 119 6.500 21.477 8.635 1.00 1.00 O ATOM 1707 CB VAL A 119 5.121 23.990 10.107 1.00 1.00 C ATOM 1708 CG1 VAL A 119 6.176 23.461 11.066 1.00 1.00 C ATOM 1709 CG2 VAL A 119 4.935 25.490 10.282 1.00 1.00 C ATOM 0 H VAL A 119 5.064 24.936 7.046 1.00 1.00 H new ATOM 0 HA VAL A 119 6.500 24.035 8.448 1.00 1.00 H new ATOM 0 HB VAL A 119 4.175 23.500 10.338 1.00 1.00 H new ATOM 0 HG11 VAL A 119 5.892 23.705 12.090 1.00 1.00 H new ATOM 0 HG12 VAL A 119 6.255 22.379 10.959 1.00 1.00 H new ATOM 0 HG13 VAL A 119 7.138 23.919 10.837 1.00 1.00 H new ATOM 0 HG21 VAL A 119 4.669 25.705 11.317 1.00 1.00 H new ATOM 0 HG22 VAL A 119 5.863 26.003 10.032 1.00 1.00 H new ATOM 0 HG23 VAL A 119 4.139 25.837 9.623 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 1.412 -3.112 -10.446 1.00 1.00 C HETATM 1721 N2 IMY A 120 1.866 -2.046 -9.801 1.00 1.00 N HETATM 1722 C3 IMY A 120 1.029 -1.831 -8.579 1.00 1.00 C HETATM 1723 C4 IMY A 120 -0.299 -2.519 -9.049 1.00 1.00 C HETATM 1724 N5 IMY A 120 0.214 -3.502 -10.008 1.00 1.00 N HETATM 1725 C13 IMY A 120 1.654 -2.433 -7.330 1.00 1.00 C HETATM 1726 C14 IMY A 120 1.194 -2.020 -6.067 1.00 1.00 C HETATM 1727 C15 IMY A 120 1.664 -2.628 -4.897 1.00 1.00 C HETATM 1728 C16 IMY A 120 2.572 -3.669 -4.970 1.00 1.00 C HETATM 1729 C17 IMY A 120 3.068 -4.060 -6.203 1.00 1.00 C HETATM 1730 C18 IMY A 120 2.623 -3.451 -7.373 1.00 1.00 C HETATM 1731 CL16 IMY A 120 3.092 -4.468 -3.542 1.00 1.00 CL HETATM 1732 C20 IMY A 120 -2.300 -2.335 -7.527 1.00 1.00 C HETATM 1733 C21 IMY A 120 -3.212 -2.859 -6.612 1.00 1.00 C HETATM 1734 C22 IMY A 120 -3.101 -4.184 -6.208 1.00 1.00 C HETATM 1735 C23 IMY A 120 -2.089 -4.988 -6.716 1.00 1.00 C HETATM 1736 C24 IMY A 120 -1.212 -4.479 -7.674 1.00 1.00 C HETATM 1737 C19 IMY A 120 -1.279 -3.134 -8.076 1.00 1.00 C HETATM 1738 CL22 IMY A 120 -4.224 -4.838 -5.085 1.00 1.00 CL HETATM 1739 C28 IMY A 120 3.923 -4.846 -12.731 1.00 1.00 C HETATM 1740 C29 IMY A 120 3.426 -3.963 -11.752 1.00 1.00 C HETATM 1741 C34 IMY A 120 2.035 -3.891 -11.528 1.00 1.00 C HETATM 1742 C25 IMY A 120 1.183 -4.702 -12.313 1.00 1.00 C HETATM 1743 C26 IMY A 120 1.687 -5.572 -13.275 1.00 1.00 C HETATM 1744 C27 IMY A 120 3.064 -5.648 -13.480 1.00 1.00 C HETATM 1745 O3 IMY A 120 4.241 -3.156 -10.965 1.00 1.00 O HETATM 1746 C31 IMY A 120 5.642 -3.496 -10.816 1.00 1.00 C HETATM 1747 C32 IMY A 120 6.291 -2.678 -9.700 1.00 1.00 C HETATM 1748 C33 IMY A 120 5.706 -4.975 -10.456 1.00 1.00 C HETATM 1749 O2 IMY A 120 3.694 -6.507 -14.368 1.00 1.00 O HETATM 1750 C30 IMY A 120 2.870 -7.079 -15.390 1.00 1.00 C HETATM 0 H333 IMY A 120 5.167 -5.146 -9.524 1.00 1.00 H new HETATM 0 H332 IMY A 120 5.250 -5.563 -11.252 1.00 1.00 H new HETATM 0 H331 IMY A 120 6.747 -5.275 -10.334 1.00 1.00 H new HETATM 0 H323 IMY A 120 6.213 -1.616 -9.935 1.00 1.00 H new HETATM 0 H322 IMY A 120 5.782 -2.880 -8.758 1.00 1.00 H new HETATM 0 H321 IMY A 120 7.342 -2.954 -9.611 1.00 1.00 H new HETATM 0 H302 IMY A 120 2.069 -7.658 -14.930 1.00 1.00 H new HETATM 0 H301 IMY A 120 2.439 -6.283 -15.998 1.00 1.00 H new HETATM 0 H4 IMY A 120 -0.971 -1.737 -9.403 1.00 1.00 H new HETATM 0 H31 IMY A 120 6.177 -3.281 -11.741 1.00 1.00 H new HETATM 0 H30 IMY A 120 3.473 -7.731 -16.021 1.00 1.00 H new HETATM 0 H3 IMY A 120 0.899 -0.795 -8.267 1.00 1.00 H new HETATM 0 H28 IMY A 120 4.997 -4.903 -12.905 1.00 1.00 H new HETATM 0 H26 IMY A 120 1.010 -6.190 -13.864 1.00 1.00 H new HETATM 0 H25 IMY A 120 0.105 -4.644 -12.161 1.00 1.00 H new HETATM 0 H24 IMY A 120 -0.463 -5.135 -8.118 1.00 1.00 H new HETATM 0 H23 IMY A 120 -1.980 -6.015 -6.367 1.00 1.00 H new HETATM 0 H21 IMY A 120 -4.010 -2.231 -6.215 1.00 1.00 H new HETATM 0 H20 IMY A 120 -2.379 -1.289 -7.822 1.00 1.00 H new HETATM 0 H18 IMY A 120 3.030 -3.767 -8.333 1.00 1.00 H new HETATM 0 H17 IMY A 120 3.814 -4.853 -6.258 1.00 1.00 H new HETATM 0 H15 IMY A 120 1.313 -2.280 -3.925 1.00 1.00 H new HETATM 0 H14 IMY A 120 0.462 -1.216 -5.998 1.00 1.00 H new