USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HE2:sc= -0.045 K(o=1.7,f=-1!) USER MOD Set 1.2: A 77 CYS SG : rot -129:sc= 0.221 USER MOD Set 1.3: A 82 CYS SG : rot 155:sc= 0.564 USER MOD Set 1.4: A 85 CYS SG : rot 110:sc= 0.967 USER MOD Set 2.1: A 49 HIS : no HE2:sc= -0.951 X(o=3.1,f=3.1) USER MOD Set 2.2: A 53 CYS SG : rot -148:sc= 1.71 USER MOD Set 2.3: A 59 CYS SG : rot 135:sc= 0.389 USER MOD Set 2.4: A 64 CYS SG : rot -124:sc= 1.95 USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 52 HIS : no HD1:sc=-0.000946 X(o=-0.00095,f=0) USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= -0.786 F(o=2.1,f=4.1) USER MOD Set 4.2: A 22 CYS SG : rot -160:sc= 1.4 USER MOD Set 4.3: A 40 CYS SG : rot 89:sc= 0.894 USER MOD Set 4.4: A 44 LYS NZ :NH3+ 165:sc= 2.59 (180deg=0.217) USER MOD Set 5.1: A 11 GLN : amide:sc= 1.24 K(o=1.3,f=-0.68) USER MOD Set 5.2: A 12 GLN : amide:sc= 0.234 K(o=1.3,f=-1.5) USER MOD Set 5.3: A 43 MET CE :methyl 168:sc= -0.127 (180deg=-0.215) USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0829 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.27) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc=-0.00523 (180deg=-0.237) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= 1.92 (180deg=1.1) USER MOD Single : A 39 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -165:sc= -0.702 (180deg=-0.948) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 1.13 (180deg=1.01) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 66 SER OG : rot 80:sc= 0.764 USER MOD Single : A 67 SER OG : rot -76:sc= 0.304 USER MOD Single : A 69 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.94) USER MOD Single : A 72 SER OG : rot 78:sc= 1.69 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0.737) USER MOD Single : A 76 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.713 K(o=0.71,f=-2.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot -74:sc= 1.36 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 84:sc= 0.267 USER MOD Single : B 126 ASN : amide:sc= 1.83 K(o=1.8,f=-4.4!) USER MOD Single : B 130 GLN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Single : B 137 GLN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : B 147 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : B 149 ASN : amide:sc= 0.765 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.637 -11.930 15.859 1.00 0.00 N ATOM 2 CA ALA A 1 5.827 -10.708 15.630 1.00 0.00 C ATOM 3 C ALA A 1 5.952 -9.748 16.821 1.00 0.00 C ATOM 4 O ALA A 1 6.277 -10.171 17.932 1.00 0.00 O ATOM 5 CB ALA A 1 4.359 -11.062 15.330 1.00 0.00 C ATOM 0 H1 ALA A 1 7.505 -11.884 15.287 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.889 -11.996 16.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.086 -12.768 15.584 1.00 0.00 H new ATOM 0 HA ALA A 1 6.217 -10.196 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.790 -10.147 15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.310 -11.684 14.436 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.936 -11.606 16.174 1.00 0.00 H new ATOM 13 N ASP A 2 5.707 -8.453 16.606 1.00 0.00 N ATOM 14 CA ASP A 2 5.799 -7.390 17.616 1.00 0.00 C ATOM 15 C ASP A 2 4.712 -6.308 17.400 1.00 0.00 C ATOM 16 O ASP A 2 4.519 -5.874 16.259 1.00 0.00 O ATOM 17 CB ASP A 2 7.202 -6.769 17.545 1.00 0.00 C ATOM 18 CG ASP A 2 7.413 -5.726 18.652 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.036 -4.551 18.443 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.937 -6.089 19.732 1.00 0.00 O ATOM 0 H ASP A 2 5.429 -8.101 15.690 1.00 0.00 H new ATOM 0 HA ASP A 2 5.630 -7.819 18.604 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.953 -7.554 17.635 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.345 -6.301 16.571 1.00 0.00 H new ATOM 25 N PRO A 3 3.999 -5.852 18.455 1.00 0.00 N ATOM 26 CA PRO A 3 2.966 -4.817 18.356 1.00 0.00 C ATOM 27 C PRO A 3 3.378 -3.572 17.559 1.00 0.00 C ATOM 28 O PRO A 3 2.657 -3.158 16.653 1.00 0.00 O ATOM 29 CB PRO A 3 2.584 -4.462 19.798 1.00 0.00 C ATOM 30 CG PRO A 3 2.877 -5.751 20.557 1.00 0.00 C ATOM 31 CD PRO A 3 4.112 -6.294 19.841 1.00 0.00 C ATOM 0 HA PRO A 3 2.123 -5.209 17.787 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.173 -3.627 20.178 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.536 -4.175 19.879 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.072 -5.563 21.613 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.041 -6.449 20.507 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.026 -5.915 20.298 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.152 -7.382 19.902 1.00 0.00 H new ATOM 39 N GLU A 4 4.530 -2.967 17.863 1.00 0.00 N ATOM 40 CA GLU A 4 5.024 -1.772 17.164 1.00 0.00 C ATOM 41 C GLU A 4 5.299 -2.044 15.680 1.00 0.00 C ATOM 42 O GLU A 4 4.939 -1.220 14.838 1.00 0.00 O ATOM 43 CB GLU A 4 6.250 -1.161 17.853 1.00 0.00 C ATOM 44 CG GLU A 4 5.959 -0.753 19.304 1.00 0.00 C ATOM 45 CD GLU A 4 7.155 0.000 19.921 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.250 1.240 19.747 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.001 -0.634 20.599 1.00 0.00 O ATOM 0 H GLU A 4 5.151 -3.292 18.604 1.00 0.00 H new ATOM 0 HA GLU A 4 4.223 -1.035 17.217 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.069 -1.880 17.837 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.582 -0.288 17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.072 -0.121 19.336 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.739 -1.641 19.897 1.00 0.00 H new ATOM 54 N LYS A 5 5.868 -3.205 15.321 1.00 0.00 N ATOM 55 CA LYS A 5 6.042 -3.585 13.905 1.00 0.00 C ATOM 56 C LYS A 5 4.686 -3.632 13.193 1.00 0.00 C ATOM 57 O LYS A 5 4.589 -3.149 12.068 1.00 0.00 O ATOM 58 CB LYS A 5 6.817 -4.898 13.725 1.00 0.00 C ATOM 59 CG LYS A 5 8.299 -4.749 14.100 1.00 0.00 C ATOM 60 CD LYS A 5 9.070 -6.040 13.794 1.00 0.00 C ATOM 61 CE LYS A 5 10.560 -5.853 14.102 1.00 0.00 C ATOM 62 NZ LYS A 5 11.344 -7.064 13.748 1.00 0.00 N ATOM 0 H LYS A 5 6.215 -3.896 15.986 1.00 0.00 H new ATOM 0 HA LYS A 5 6.655 -2.812 13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.363 -5.674 14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.737 -5.227 12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.737 -3.918 13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.389 -4.509 15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.669 -6.861 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.939 -6.311 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.943 -4.996 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.689 -5.631 15.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.352 -6.892 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.017 -7.869 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.213 -7.280 12.739 1.00 0.00 H new ATOM 76 N ARG A 6 3.625 -4.137 13.838 1.00 0.00 N ATOM 77 CA ARG A 6 2.257 -4.122 13.280 1.00 0.00 C ATOM 78 C ARG A 6 1.772 -2.682 13.050 1.00 0.00 C ATOM 79 O ARG A 6 1.243 -2.406 11.975 1.00 0.00 O ATOM 80 CB ARG A 6 1.296 -4.981 14.121 1.00 0.00 C ATOM 81 CG ARG A 6 -0.065 -5.145 13.420 1.00 0.00 C ATOM 82 CD ARG A 6 -0.955 -6.187 14.109 1.00 0.00 C ATOM 83 NE ARG A 6 -0.508 -7.570 13.842 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.918 -8.669 14.448 1.00 0.00 C ATOM 85 NH1 ARG A 6 -1.774 -8.647 15.431 1.00 0.00 N ATOM 86 NH2 ARG A 6 -0.474 -9.831 14.068 1.00 0.00 N ATOM 0 H ARG A 6 3.686 -4.568 14.760 1.00 0.00 H new ATOM 0 HA ARG A 6 2.275 -4.591 12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.739 -5.962 14.295 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.151 -4.519 15.098 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.580 -4.185 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.097 -5.438 12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.954 -6.008 15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.983 -6.067 13.767 1.00 0.00 H new ATOM 0 HE ARG A 6 0.193 -7.688 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.152 -7.758 15.758 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.066 -9.519 15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.193 -9.895 13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.793 -10.678 14.539 1.00 0.00 H new ATOM 100 N LYS A 7 2.002 -1.751 13.991 1.00 0.00 N ATOM 101 CA LYS A 7 1.694 -0.305 13.835 1.00 0.00 C ATOM 102 C LYS A 7 2.410 0.284 12.611 1.00 0.00 C ATOM 103 O LYS A 7 1.807 1.008 11.822 1.00 0.00 O ATOM 104 CB LYS A 7 2.081 0.523 15.075 1.00 0.00 C ATOM 105 CG LYS A 7 1.393 0.098 16.379 1.00 0.00 C ATOM 106 CD LYS A 7 1.933 0.854 17.606 1.00 0.00 C ATOM 107 CE LYS A 7 1.180 2.146 17.972 1.00 0.00 C ATOM 108 NZ LYS A 7 1.269 3.210 16.935 1.00 0.00 N ATOM 0 H LYS A 7 2.413 -1.977 14.897 1.00 0.00 H new ATOM 0 HA LYS A 7 0.614 -0.245 13.703 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.160 0.459 15.214 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.846 1.570 14.882 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.320 0.272 16.293 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.532 -0.973 16.527 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.907 0.183 18.465 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.979 1.102 17.427 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.131 1.907 18.144 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.577 2.533 18.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.920 4.107 17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.259 3.324 16.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.690 2.943 16.113 1.00 0.00 H new ATOM 122 N LEU A 8 3.699 -0.023 12.454 1.00 0.00 N ATOM 123 CA LEU A 8 4.526 0.400 11.319 1.00 0.00 C ATOM 124 C LEU A 8 3.972 -0.157 9.998 1.00 0.00 C ATOM 125 O LEU A 8 3.775 0.600 9.050 1.00 0.00 O ATOM 126 CB LEU A 8 5.990 -0.003 11.564 1.00 0.00 C ATOM 127 CG LEU A 8 6.677 0.781 12.699 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.066 0.195 12.951 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.814 2.273 12.382 1.00 0.00 C ATOM 0 H LEU A 8 4.212 -0.588 13.131 1.00 0.00 H new ATOM 0 HA LEU A 8 4.493 1.486 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.029 -1.067 11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.555 0.142 10.643 1.00 0.00 H new ATOM 0 HG LEU A 8 6.049 0.688 13.585 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.554 0.748 13.754 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.973 -0.853 13.237 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.663 0.271 12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.304 2.778 13.214 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.410 2.400 11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.825 2.704 12.228 1.00 0.00 H new ATOM 141 N ILE A 9 3.674 -1.457 9.936 1.00 0.00 N ATOM 142 CA ILE A 9 3.050 -2.123 8.780 1.00 0.00 C ATOM 143 C ILE A 9 1.737 -1.406 8.425 1.00 0.00 C ATOM 144 O ILE A 9 1.576 -0.980 7.285 1.00 0.00 O ATOM 145 CB ILE A 9 2.895 -3.635 9.054 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.296 -4.289 9.029 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.985 -4.331 8.027 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.344 -5.643 9.735 1.00 0.00 C ATOM 0 H ILE A 9 3.864 -2.097 10.707 1.00 0.00 H new ATOM 0 HA ILE A 9 3.689 -2.050 7.900 1.00 0.00 H new ATOM 0 HB ILE A 9 2.425 -3.753 10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.612 -4.416 7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.012 -3.616 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.911 -5.392 8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.992 -3.882 8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.406 -4.213 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.355 -6.046 9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.059 -5.519 10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.652 -6.331 9.249 1.00 0.00 H new ATOM 160 N GLN A 10 0.832 -1.214 9.394 1.00 0.00 N ATOM 161 CA GLN A 10 -0.413 -0.443 9.281 1.00 0.00 C ATOM 162 C GLN A 10 -0.184 0.930 8.623 1.00 0.00 C ATOM 163 O GLN A 10 -0.826 1.245 7.618 1.00 0.00 O ATOM 164 CB GLN A 10 -1.033 -0.289 10.684 1.00 0.00 C ATOM 165 CG GLN A 10 -1.992 -1.430 11.014 1.00 0.00 C ATOM 166 CD GLN A 10 -2.640 -1.254 12.382 1.00 0.00 C ATOM 167 OE1 GLN A 10 -2.216 -1.815 13.383 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.692 -0.468 12.481 1.00 0.00 N ATOM 0 H GLN A 10 0.955 -1.612 10.325 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.102 -0.984 8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.239 -0.256 11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.565 0.660 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.767 -1.484 10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.452 -2.376 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.055 0.005 11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.144 -0.332 13.385 1.00 0.00 H new ATOM 177 N GLN A 11 0.747 1.728 9.163 1.00 0.00 N ATOM 178 CA GLN A 11 1.143 3.033 8.623 1.00 0.00 C ATOM 179 C GLN A 11 1.513 2.914 7.134 1.00 0.00 C ATOM 180 O GLN A 11 0.909 3.580 6.292 1.00 0.00 O ATOM 181 CB GLN A 11 2.303 3.620 9.454 1.00 0.00 C ATOM 182 CG GLN A 11 2.679 5.044 9.019 1.00 0.00 C ATOM 183 CD GLN A 11 4.011 5.501 9.607 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.110 5.926 10.748 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.092 5.412 8.863 1.00 0.00 N ATOM 0 H GLN A 11 1.258 1.476 10.009 1.00 0.00 H new ATOM 0 HA GLN A 11 0.299 3.719 8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.023 3.628 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.175 2.973 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.732 5.086 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.893 5.734 9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.026 5.059 7.908 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.996 5.696 9.241 1.00 0.00 H new ATOM 194 N GLN A 12 2.485 2.059 6.800 1.00 0.00 N ATOM 195 CA GLN A 12 2.942 1.823 5.427 1.00 0.00 C ATOM 196 C GLN A 12 1.821 1.350 4.488 1.00 0.00 C ATOM 197 O GLN A 12 1.778 1.801 3.347 1.00 0.00 O ATOM 198 CB GLN A 12 4.149 0.869 5.409 1.00 0.00 C ATOM 199 CG GLN A 12 5.384 1.431 6.142 1.00 0.00 C ATOM 200 CD GLN A 12 5.681 2.878 5.771 1.00 0.00 C ATOM 201 OE1 GLN A 12 5.454 3.806 6.534 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.163 3.132 4.578 1.00 0.00 N ATOM 0 H GLN A 12 2.986 1.500 7.491 1.00 0.00 H new ATOM 0 HA GLN A 12 3.264 2.787 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.862 -0.077 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.417 0.653 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.225 1.362 7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.252 0.815 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.357 2.366 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.344 4.095 4.296 1.00 0.00 H new ATOM 211 N LEU A 13 0.907 0.483 4.940 1.00 0.00 N ATOM 212 CA LEU A 13 -0.245 -0.020 4.191 1.00 0.00 C ATOM 213 C LEU A 13 -1.104 1.167 3.719 1.00 0.00 C ATOM 214 O LEU A 13 -1.281 1.370 2.518 1.00 0.00 O ATOM 215 CB LEU A 13 -0.985 -1.060 5.067 1.00 0.00 C ATOM 216 CG LEU A 13 -1.722 -2.155 4.277 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.097 -3.333 5.171 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.972 -1.631 3.597 1.00 0.00 C ATOM 0 H LEU A 13 0.955 0.096 5.883 1.00 0.00 H new ATOM 0 HA LEU A 13 0.049 -0.543 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.264 -1.534 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.705 -0.538 5.697 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.025 -2.491 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.616 -4.088 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.193 -3.766 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.750 -2.988 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.457 -2.441 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.657 -1.238 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.702 -0.837 2.901 1.00 0.00 H new ATOM 230 N VAL A 14 -1.577 1.989 4.660 1.00 0.00 N ATOM 231 CA VAL A 14 -2.354 3.215 4.405 1.00 0.00 C ATOM 232 C VAL A 14 -1.585 4.200 3.516 1.00 0.00 C ATOM 233 O VAL A 14 -2.142 4.679 2.526 1.00 0.00 O ATOM 234 CB VAL A 14 -2.809 3.837 5.740 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.369 5.264 5.649 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.907 2.934 6.314 1.00 0.00 C ATOM 0 H VAL A 14 -1.427 1.818 5.654 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.251 2.954 3.843 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.918 3.909 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.659 5.605 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.606 5.929 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.240 5.272 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.256 3.343 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.740 2.883 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.507 1.933 6.476 1.00 0.00 H new ATOM 246 N LEU A 15 -0.316 4.492 3.829 1.00 0.00 N ATOM 247 CA LEU A 15 0.527 5.388 3.027 1.00 0.00 C ATOM 248 C LEU A 15 0.651 4.936 1.567 1.00 0.00 C ATOM 249 O LEU A 15 0.439 5.740 0.664 1.00 0.00 O ATOM 250 CB LEU A 15 1.938 5.535 3.624 1.00 0.00 C ATOM 251 CG LEU A 15 2.110 6.425 4.863 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.587 6.801 5.008 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.308 7.722 4.798 1.00 0.00 C ATOM 0 H LEU A 15 0.157 4.112 4.649 1.00 0.00 H new ATOM 0 HA LEU A 15 0.022 6.354 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.298 4.538 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.592 5.922 2.842 1.00 0.00 H new ATOM 0 HG LEU A 15 1.743 5.846 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.717 7.433 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.183 5.896 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.914 7.342 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.478 8.301 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.626 8.303 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.247 7.490 4.709 1.00 0.00 H new ATOM 265 N LEU A 16 1.009 3.675 1.325 1.00 0.00 N ATOM 266 CA LEU A 16 1.185 3.093 -0.006 1.00 0.00 C ATOM 267 C LEU A 16 -0.089 3.199 -0.861 1.00 0.00 C ATOM 268 O LEU A 16 -0.033 3.613 -2.021 1.00 0.00 O ATOM 269 CB LEU A 16 1.641 1.639 0.172 1.00 0.00 C ATOM 270 CG LEU A 16 2.023 0.944 -1.140 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.244 1.606 -1.776 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.373 -0.505 -0.827 1.00 0.00 C ATOM 0 H LEU A 16 1.191 3.008 2.075 1.00 0.00 H new ATOM 0 HA LEU A 16 1.943 3.653 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.497 1.617 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.842 1.074 0.652 1.00 0.00 H new ATOM 0 HG LEU A 16 1.185 1.013 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.493 1.093 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.022 2.652 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.089 1.546 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.648 -1.020 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.211 -0.535 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.511 -0.999 -0.379 1.00 0.00 H new ATOM 284 N LEU A 17 -1.236 2.845 -0.275 1.00 0.00 N ATOM 285 CA LEU A 17 -2.559 2.951 -0.895 1.00 0.00 C ATOM 286 C LEU A 17 -2.847 4.401 -1.305 1.00 0.00 C ATOM 287 O LEU A 17 -3.128 4.677 -2.476 1.00 0.00 O ATOM 288 CB LEU A 17 -3.622 2.438 0.087 1.00 0.00 C ATOM 289 CG LEU A 17 -3.586 0.918 0.301 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.433 0.588 1.523 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.152 0.146 -0.886 1.00 0.00 C ATOM 0 H LEU A 17 -1.270 2.466 0.671 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.585 2.340 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.485 2.934 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.609 2.721 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.544 0.625 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.421 -0.488 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.026 1.098 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.458 0.918 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.102 -0.923 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.190 0.437 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.569 0.372 -1.779 1.00 0.00 H new ATOM 303 N HIS A 18 -2.741 5.324 -0.345 1.00 0.00 N ATOM 304 CA HIS A 18 -2.909 6.759 -0.556 1.00 0.00 C ATOM 305 C HIS A 18 -1.980 7.264 -1.668 1.00 0.00 C ATOM 306 O HIS A 18 -2.455 7.926 -2.580 1.00 0.00 O ATOM 307 CB HIS A 18 -2.663 7.512 0.766 1.00 0.00 C ATOM 308 CG HIS A 18 -2.675 9.017 0.614 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.698 9.774 0.019 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.692 9.870 0.986 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -2.143 11.098 -0.016 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.341 11.112 0.597 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.531 5.085 0.624 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.932 6.951 -0.879 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.426 7.222 1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.702 7.204 1.177 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.603 9.594 1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.628 11.943 -0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.906 11.948 0.747 1.00 0.00 H new ATOM 320 N ALA A 19 -0.675 6.973 -1.611 1.00 0.00 N ATOM 321 CA ALA A 19 0.344 7.426 -2.559 1.00 0.00 C ATOM 322 C ALA A 19 -0.093 7.337 -4.029 1.00 0.00 C ATOM 323 O ALA A 19 -0.060 8.349 -4.734 1.00 0.00 O ATOM 324 CB ALA A 19 1.650 6.678 -2.294 1.00 0.00 C ATOM 0 H ALA A 19 -0.286 6.390 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 19 0.501 8.491 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.411 7.013 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.984 6.879 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.488 5.607 -2.418 1.00 0.00 H new ATOM 330 N HIS A 20 -0.523 6.154 -4.488 1.00 0.00 N ATOM 331 CA HIS A 20 -1.023 5.967 -5.858 1.00 0.00 C ATOM 332 C HIS A 20 -2.360 6.682 -6.091 1.00 0.00 C ATOM 333 O HIS A 20 -2.527 7.318 -7.129 1.00 0.00 O ATOM 334 CB HIS A 20 -1.117 4.480 -6.207 1.00 0.00 C ATOM 335 CG HIS A 20 -1.527 4.246 -7.643 1.00 0.00 C ATOM 336 ND1 HIS A 20 -2.702 3.653 -8.074 1.00 0.00 N ATOM 337 CD2 HIS A 20 -0.827 4.656 -8.744 1.00 0.00 C ATOM 338 CE1 HIS A 20 -2.709 3.697 -9.423 1.00 0.00 C ATOM 339 NE2 HIS A 20 -1.580 4.303 -9.853 1.00 0.00 N ATOM 0 H HIS A 20 -0.535 5.304 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.300 6.428 -6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.152 4.006 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.837 4.000 -5.544 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.129 5.158 -8.749 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.492 3.310 -10.058 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.326 4.472 -10.826 1.00 0.00 H new ATOM 348 N LYS A 21 -3.308 6.605 -5.147 1.00 0.00 N ATOM 349 CA LYS A 21 -4.619 7.284 -5.216 1.00 0.00 C ATOM 350 C LYS A 21 -4.449 8.800 -5.438 1.00 0.00 C ATOM 351 O LYS A 21 -5.015 9.360 -6.376 1.00 0.00 O ATOM 352 CB LYS A 21 -5.441 6.921 -3.959 1.00 0.00 C ATOM 353 CG LYS A 21 -6.911 7.379 -3.975 1.00 0.00 C ATOM 354 CD LYS A 21 -7.685 6.988 -5.236 1.00 0.00 C ATOM 355 CE LYS A 21 -7.672 5.476 -5.489 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.569 5.122 -6.617 1.00 0.00 N ATOM 0 H LYS A 21 -3.187 6.059 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.181 6.935 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.417 5.839 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.952 7.357 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.419 6.958 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.942 8.463 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.716 7.329 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.254 7.501 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.656 5.149 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.988 4.949 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.935 4.158 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.363 5.792 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.038 5.167 -7.510 1.00 0.00 H new ATOM 370 N CYS A 22 -3.616 9.428 -4.611 1.00 0.00 N ATOM 371 CA CYS A 22 -3.160 10.817 -4.623 1.00 0.00 C ATOM 372 C CYS A 22 -2.518 11.163 -5.985 1.00 0.00 C ATOM 373 O CYS A 22 -2.955 12.096 -6.664 1.00 0.00 O ATOM 374 CB CYS A 22 -2.218 10.938 -3.409 1.00 0.00 C ATOM 375 SG CYS A 22 -1.402 12.550 -3.191 1.00 0.00 S ATOM 0 H CYS A 22 -3.198 8.921 -3.831 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.965 11.546 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.789 10.717 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.448 10.172 -3.494 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.360 12.409 -2.426 1.00 0.00 H new ATOM 627 N HIS A 39 6.261 12.175 3.222 1.00 0.00 N ATOM 628 CA HIS A 39 6.368 10.732 2.970 1.00 0.00 C ATOM 629 C HIS A 39 5.652 10.278 1.690 1.00 0.00 C ATOM 630 O HIS A 39 6.079 9.300 1.079 1.00 0.00 O ATOM 631 CB HIS A 39 5.837 9.975 4.198 1.00 0.00 C ATOM 632 CG HIS A 39 6.468 10.406 5.503 1.00 0.00 C ATOM 633 ND1 HIS A 39 5.794 10.631 6.691 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.790 10.702 5.703 1.00 0.00 C ATOM 635 CE1 HIS A 39 6.697 11.052 7.600 1.00 0.00 C ATOM 636 NE2 HIS A 39 7.918 11.100 7.022 1.00 0.00 N ATOM 0 HA HIS A 39 7.421 10.501 2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.758 10.118 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.009 8.908 4.057 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.581 10.637 4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.479 11.310 8.626 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.785 11.381 7.480 1.00 0.00 H new ATOM 645 N CYS A 40 4.593 10.979 1.271 1.00 0.00 N ATOM 646 CA CYS A 40 3.825 10.705 0.056 1.00 0.00 C ATOM 647 C CYS A 40 4.751 10.658 -1.183 1.00 0.00 C ATOM 648 O CYS A 40 4.689 9.721 -1.981 1.00 0.00 O ATOM 649 CB CYS A 40 2.699 11.752 -0.034 1.00 0.00 C ATOM 650 SG CYS A 40 1.314 11.184 -1.064 1.00 0.00 S ATOM 0 H CYS A 40 4.236 11.782 1.789 1.00 0.00 H new ATOM 0 HA CYS A 40 3.363 9.719 0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.335 11.979 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.099 12.679 -0.445 1.00 0.00 H new ATOM 0 HG CYS A 40 0.456 10.547 -0.324 1.00 0.00 H new ATOM 655 N ARG A 41 5.680 11.624 -1.304 1.00 0.00 N ATOM 656 CA ARG A 41 6.720 11.680 -2.352 1.00 0.00 C ATOM 657 C ARG A 41 7.579 10.409 -2.351 1.00 0.00 C ATOM 658 O ARG A 41 7.783 9.801 -3.402 1.00 0.00 O ATOM 659 CB ARG A 41 7.567 12.955 -2.175 1.00 0.00 C ATOM 660 CG ARG A 41 8.501 13.203 -3.373 1.00 0.00 C ATOM 661 CD ARG A 41 9.387 14.439 -3.171 1.00 0.00 C ATOM 662 NE ARG A 41 8.605 15.691 -3.135 1.00 0.00 N ATOM 663 CZ ARG A 41 9.053 16.900 -2.841 1.00 0.00 C ATOM 664 NH1 ARG A 41 10.302 17.127 -2.544 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.241 17.918 -2.840 1.00 0.00 N ATOM 0 H ARG A 41 5.731 12.411 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 41 6.239 11.726 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.907 13.813 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.161 12.871 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.132 12.327 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.905 13.329 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.945 14.335 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.119 14.494 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 41 7.613 15.615 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.972 16.358 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.610 18.074 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.255 17.784 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.590 18.849 -2.613 1.00 0.00 H new ATOM 679 N THR A 42 8.065 9.991 -1.181 1.00 0.00 N ATOM 680 CA THR A 42 8.851 8.757 -0.987 1.00 0.00 C ATOM 681 C THR A 42 8.051 7.538 -1.453 1.00 0.00 C ATOM 682 O THR A 42 8.532 6.752 -2.266 1.00 0.00 O ATOM 683 CB THR A 42 9.281 8.579 0.482 1.00 0.00 C ATOM 684 OG1 THR A 42 9.819 9.784 0.994 1.00 0.00 O ATOM 685 CG2 THR A 42 10.343 7.489 0.638 1.00 0.00 C ATOM 0 H THR A 42 7.923 10.511 -0.315 1.00 0.00 H new ATOM 0 HA THR A 42 9.755 8.845 -1.590 1.00 0.00 H new ATOM 0 HB THR A 42 8.385 8.293 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.085 9.653 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.618 7.396 1.689 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.944 6.539 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.225 7.754 0.055 1.00 0.00 H new ATOM 693 N MET A 43 6.809 7.396 -0.983 1.00 0.00 N ATOM 694 CA MET A 43 5.883 6.324 -1.369 1.00 0.00 C ATOM 695 C MET A 43 5.622 6.300 -2.888 1.00 0.00 C ATOM 696 O MET A 43 5.626 5.226 -3.481 1.00 0.00 O ATOM 697 CB MET A 43 4.584 6.430 -0.566 1.00 0.00 C ATOM 698 CG MET A 43 4.763 6.227 0.944 1.00 0.00 C ATOM 699 SD MET A 43 5.136 4.529 1.466 1.00 0.00 S ATOM 700 CE MET A 43 6.935 4.638 1.676 1.00 0.00 C ATOM 0 H MET A 43 6.407 8.042 -0.304 1.00 0.00 H new ATOM 0 HA MET A 43 6.354 5.371 -1.128 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.141 7.411 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.877 5.690 -0.940 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.566 6.879 1.288 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.852 6.551 1.447 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.295 3.750 2.195 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.412 4.706 0.698 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.180 5.524 2.261 1.00 0.00 H new ATOM 710 N LYS A 44 5.438 7.455 -3.543 1.00 0.00 N ATOM 711 CA LYS A 44 5.284 7.588 -5.010 1.00 0.00 C ATOM 712 C LYS A 44 6.537 7.103 -5.760 1.00 0.00 C ATOM 713 O LYS A 44 6.421 6.398 -6.761 1.00 0.00 O ATOM 714 CB LYS A 44 4.935 9.041 -5.375 1.00 0.00 C ATOM 715 CG LYS A 44 3.457 9.387 -5.104 1.00 0.00 C ATOM 716 CD LYS A 44 3.280 10.919 -5.086 1.00 0.00 C ATOM 717 CE LYS A 44 1.836 11.444 -5.086 1.00 0.00 C ATOM 718 NZ LYS A 44 1.013 10.906 -3.984 1.00 0.00 N ATOM 0 H LYS A 44 5.390 8.351 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 44 4.462 6.946 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.572 9.717 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.155 9.209 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.823 8.946 -5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.143 8.963 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.785 11.310 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.793 11.332 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.853 12.532 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.366 11.191 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.149 11.477 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.755 9.920 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.555 10.941 -3.097 1.00 0.00 H new ATOM 732 N ASN A 45 7.738 7.433 -5.273 1.00 0.00 N ATOM 733 CA ASN A 45 9.007 6.938 -5.834 1.00 0.00 C ATOM 734 C ASN A 45 9.087 5.402 -5.702 1.00 0.00 C ATOM 735 O ASN A 45 9.396 4.701 -6.666 1.00 0.00 O ATOM 736 CB ASN A 45 10.205 7.639 -5.166 1.00 0.00 C ATOM 737 CG ASN A 45 10.507 8.988 -5.797 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.382 9.120 -6.641 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.799 10.028 -5.424 1.00 0.00 N ATOM 0 H ASN A 45 7.861 8.055 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 45 9.045 7.179 -6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.998 7.775 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.085 7.000 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.979 10.943 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.068 9.922 -4.720 1.00 0.00 H new ATOM 746 N VAL A 46 8.764 4.876 -4.516 1.00 0.00 N ATOM 747 CA VAL A 46 8.676 3.438 -4.206 1.00 0.00 C ATOM 748 C VAL A 46 7.683 2.742 -5.158 1.00 0.00 C ATOM 749 O VAL A 46 8.022 1.719 -5.749 1.00 0.00 O ATOM 750 CB VAL A 46 8.350 3.256 -2.708 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.859 1.859 -2.333 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.596 3.573 -1.866 1.00 0.00 C ATOM 0 H VAL A 46 8.547 5.462 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 46 9.635 2.948 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 46 7.532 3.946 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.654 1.820 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.947 1.633 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.625 1.125 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.363 3.444 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.405 2.898 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.905 4.603 -2.046 1.00 0.00 H new ATOM 762 N LEU A 47 6.488 3.312 -5.356 1.00 0.00 N ATOM 763 CA LEU A 47 5.433 2.853 -6.274 1.00 0.00 C ATOM 764 C LEU A 47 5.969 2.640 -7.700 1.00 0.00 C ATOM 765 O LEU A 47 5.788 1.573 -8.288 1.00 0.00 O ATOM 766 CB LEU A 47 4.251 3.843 -6.198 1.00 0.00 C ATOM 767 CG LEU A 47 2.955 3.477 -6.939 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.971 3.711 -8.446 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.559 2.034 -6.681 1.00 0.00 C ATOM 0 H LEU A 47 6.214 4.155 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 47 5.072 1.871 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.005 3.989 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.595 4.804 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 47 2.222 4.168 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.010 3.420 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.153 4.767 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.762 3.113 -8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.639 1.807 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.353 1.372 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.400 1.886 -5.613 1.00 0.00 H new ATOM 781 N ASN A 48 6.656 3.647 -8.241 1.00 0.00 N ATOM 782 CA ASN A 48 7.305 3.595 -9.555 1.00 0.00 C ATOM 783 C ASN A 48 8.308 2.429 -9.636 1.00 0.00 C ATOM 784 O ASN A 48 8.299 1.660 -10.595 1.00 0.00 O ATOM 785 CB ASN A 48 8.002 4.934 -9.829 1.00 0.00 C ATOM 786 CG ASN A 48 8.669 4.943 -11.197 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.018 4.964 -12.233 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.982 4.923 -11.249 1.00 0.00 N ATOM 0 H ASN A 48 6.780 4.542 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 48 6.545 3.422 -10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.274 5.743 -9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.748 5.122 -9.057 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.457 4.925 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.526 4.906 -10.387 1.00 0.00 H new ATOM 795 N HIS A 49 9.174 2.290 -8.629 1.00 0.00 N ATOM 796 CA HIS A 49 10.142 1.198 -8.554 1.00 0.00 C ATOM 797 C HIS A 49 9.440 -0.179 -8.570 1.00 0.00 C ATOM 798 O HIS A 49 9.808 -1.035 -9.373 1.00 0.00 O ATOM 799 CB HIS A 49 11.058 1.393 -7.335 1.00 0.00 C ATOM 800 CG HIS A 49 11.968 0.208 -7.111 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.146 -0.045 -7.784 1.00 0.00 N ATOM 802 CD2 HIS A 49 11.658 -0.913 -6.382 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.515 -1.308 -7.494 1.00 0.00 C ATOM 804 NE2 HIS A 49 12.648 -1.869 -6.635 1.00 0.00 N ATOM 0 H HIS A 49 9.222 2.935 -7.841 1.00 0.00 H new ATOM 0 HA HIS A 49 10.774 1.218 -9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.660 2.291 -7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.448 1.554 -6.446 1.00 0.00 H new ATOM 0 HD1 HIS A 49 13.646 0.605 -8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.805 -1.035 -5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.387 -1.801 -7.897 1.00 0.00 H new ATOM 812 N MET A 50 8.426 -0.396 -7.720 1.00 0.00 N ATOM 813 CA MET A 50 7.662 -1.650 -7.601 1.00 0.00 C ATOM 814 C MET A 50 7.159 -2.236 -8.933 1.00 0.00 C ATOM 815 O MET A 50 7.252 -3.448 -9.134 1.00 0.00 O ATOM 816 CB MET A 50 6.449 -1.466 -6.684 1.00 0.00 C ATOM 817 CG MET A 50 6.752 -1.296 -5.199 1.00 0.00 C ATOM 818 SD MET A 50 5.613 -0.174 -4.337 1.00 0.00 S ATOM 819 CE MET A 50 3.996 -0.822 -4.820 1.00 0.00 C ATOM 0 H MET A 50 8.102 0.322 -7.072 1.00 0.00 H new ATOM 0 HA MET A 50 8.380 -2.357 -7.185 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.892 -0.593 -7.023 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.794 -2.329 -6.804 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.717 -2.273 -4.717 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.769 -0.921 -5.087 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.225 -0.086 -4.589 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.992 -1.028 -5.890 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.795 -1.743 -4.272 1.00 0.00 H new ATOM 829 N THR A 51 6.595 -1.424 -9.833 1.00 0.00 N ATOM 830 CA THR A 51 6.094 -1.901 -11.141 1.00 0.00 C ATOM 831 C THR A 51 7.230 -2.326 -12.078 1.00 0.00 C ATOM 832 O THR A 51 7.093 -3.319 -12.797 1.00 0.00 O ATOM 833 CB THR A 51 5.202 -0.873 -11.849 1.00 0.00 C ATOM 834 OG1 THR A 51 5.835 0.383 -11.927 1.00 0.00 O ATOM 835 CG2 THR A 51 3.873 -0.695 -11.121 1.00 0.00 C ATOM 0 H THR A 51 6.470 -0.423 -9.684 1.00 0.00 H new ATOM 0 HA THR A 51 5.485 -2.775 -10.910 1.00 0.00 H new ATOM 0 HB THR A 51 5.020 -1.257 -12.853 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.245 1.019 -12.384 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.265 0.040 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.345 -1.648 -11.090 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.059 -0.350 -10.104 1.00 0.00 H new ATOM 843 N HIS A 52 8.354 -1.595 -12.074 1.00 0.00 N ATOM 844 CA HIS A 52 9.559 -1.883 -12.868 1.00 0.00 C ATOM 845 C HIS A 52 10.270 -3.156 -12.371 1.00 0.00 C ATOM 846 O HIS A 52 10.514 -4.076 -13.156 1.00 0.00 O ATOM 847 CB HIS A 52 10.511 -0.671 -12.853 1.00 0.00 C ATOM 848 CG HIS A 52 10.083 0.474 -13.743 1.00 0.00 C ATOM 849 ND1 HIS A 52 10.832 1.014 -14.775 1.00 0.00 N ATOM 850 CD2 HIS A 52 8.913 1.180 -13.659 1.00 0.00 C ATOM 851 CE1 HIS A 52 10.127 2.035 -15.305 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.957 2.156 -14.640 1.00 0.00 N ATOM 0 H HIS A 52 8.453 -0.759 -11.499 1.00 0.00 H new ATOM 0 HA HIS A 52 9.252 -2.067 -13.897 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.598 -0.306 -11.830 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.504 -1.001 -13.159 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.108 1.008 -12.960 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.447 2.656 -16.129 1.00 0.00 H new ATOM 0 HE2 HIS A 52 8.231 2.847 -14.828 1.00 0.00 H new ATOM 861 N CYS A 53 10.603 -3.204 -11.079 1.00 0.00 N ATOM 862 CA CYS A 53 11.247 -4.321 -10.391 1.00 0.00 C ATOM 863 C CYS A 53 10.331 -5.569 -10.365 1.00 0.00 C ATOM 864 O CYS A 53 9.102 -5.464 -10.295 1.00 0.00 O ATOM 865 CB CYS A 53 11.628 -3.826 -8.988 1.00 0.00 C ATOM 866 SG CYS A 53 12.296 -5.137 -7.906 1.00 0.00 S ATOM 0 H CYS A 53 10.420 -2.421 -10.452 1.00 0.00 H new ATOM 0 HA CYS A 53 12.146 -4.643 -10.918 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.368 -3.031 -9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.749 -3.389 -8.515 1.00 0.00 H new ATOM 0 HG CYS A 53 11.966 -4.892 -6.673 1.00 0.00 H new ATOM 871 N GLN A 54 10.939 -6.756 -10.413 1.00 0.00 N ATOM 872 CA GLN A 54 10.279 -8.069 -10.380 1.00 0.00 C ATOM 873 C GLN A 54 10.949 -9.029 -9.374 1.00 0.00 C ATOM 874 O GLN A 54 10.653 -10.227 -9.360 1.00 0.00 O ATOM 875 CB GLN A 54 10.302 -8.685 -11.791 1.00 0.00 C ATOM 876 CG GLN A 54 9.606 -7.817 -12.853 1.00 0.00 C ATOM 877 CD GLN A 54 9.564 -8.505 -14.215 1.00 0.00 C ATOM 878 OE1 GLN A 54 8.572 -9.104 -14.614 1.00 0.00 O ATOM 879 NE2 GLN A 54 10.631 -8.452 -14.986 1.00 0.00 N ATOM 0 H GLN A 54 11.954 -6.835 -10.479 1.00 0.00 H new ATOM 0 HA GLN A 54 9.250 -7.922 -10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.337 -8.849 -12.090 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.820 -9.662 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.590 -7.592 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.130 -6.865 -12.943 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.465 -7.958 -14.669 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.623 -8.905 -15.900 1.00 0.00 H new ATOM 888 N ALA A 55 11.860 -8.526 -8.536 1.00 0.00 N ATOM 889 CA ALA A 55 12.607 -9.320 -7.569 1.00 0.00 C ATOM 890 C ALA A 55 11.843 -9.487 -6.241 1.00 0.00 C ATOM 891 O ALA A 55 11.434 -10.601 -5.905 1.00 0.00 O ATOM 892 CB ALA A 55 13.998 -8.698 -7.402 1.00 0.00 C ATOM 0 H ALA A 55 12.100 -7.535 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 55 12.729 -10.338 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.572 -9.280 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.514 -8.698 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.898 -7.673 -7.044 1.00 0.00 H new ATOM 898 N GLY A 56 11.652 -8.407 -5.473 1.00 0.00 N ATOM 899 CA GLY A 56 10.950 -8.409 -4.182 1.00 0.00 C ATOM 900 C GLY A 56 11.755 -9.063 -3.053 1.00 0.00 C ATOM 901 O GLY A 56 12.257 -8.383 -2.159 1.00 0.00 O ATOM 0 H GLY A 56 11.990 -7.482 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.715 -7.382 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.001 -8.934 -4.293 1.00 0.00 H new ATOM 905 N LYS A 57 11.888 -10.394 -3.106 1.00 0.00 N ATOM 906 CA LYS A 57 12.639 -11.234 -2.158 1.00 0.00 C ATOM 907 C LYS A 57 14.132 -10.883 -2.179 1.00 0.00 C ATOM 908 O LYS A 57 14.727 -10.590 -1.142 1.00 0.00 O ATOM 909 CB LYS A 57 12.436 -12.725 -2.496 1.00 0.00 C ATOM 910 CG LYS A 57 11.000 -13.256 -2.348 1.00 0.00 C ATOM 911 CD LYS A 57 10.494 -13.256 -0.896 1.00 0.00 C ATOM 912 CE LYS A 57 9.229 -14.119 -0.785 1.00 0.00 C ATOM 913 NZ LYS A 57 8.884 -14.419 0.629 1.00 0.00 N ATOM 0 H LYS A 57 11.454 -10.944 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 57 12.259 -11.042 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.761 -12.893 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.090 -13.316 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.331 -12.648 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.954 -14.272 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.268 -13.642 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.279 -12.236 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.395 -13.603 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.378 -15.052 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.181 -15.184 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.740 -14.715 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.490 -13.568 1.078 1.00 0.00 H new ATOM 927 N ALA A 58 14.729 -10.930 -3.373 1.00 0.00 N ATOM 928 CA ALA A 58 16.141 -10.639 -3.629 1.00 0.00 C ATOM 929 C ALA A 58 16.476 -9.131 -3.661 1.00 0.00 C ATOM 930 O ALA A 58 17.646 -8.766 -3.506 1.00 0.00 O ATOM 931 CB ALA A 58 16.535 -11.323 -4.945 1.00 0.00 C ATOM 0 H ALA A 58 14.221 -11.182 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 58 16.723 -11.032 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.585 -11.122 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.383 -12.399 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.918 -10.935 -5.756 1.00 0.00 H new ATOM 937 N CYS A 59 15.481 -8.257 -3.870 1.00 0.00 N ATOM 938 CA CYS A 59 15.656 -6.805 -3.933 1.00 0.00 C ATOM 939 C CYS A 59 16.187 -6.254 -2.590 1.00 0.00 C ATOM 940 O CYS A 59 15.602 -6.469 -1.522 1.00 0.00 O ATOM 941 CB CYS A 59 14.329 -6.155 -4.365 1.00 0.00 C ATOM 942 SG CYS A 59 14.598 -4.501 -5.085 1.00 0.00 S ATOM 0 H CYS A 59 14.513 -8.549 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 59 16.410 -6.553 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.830 -6.794 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.665 -6.075 -3.504 1.00 0.00 H new ATOM 0 HG CYS A 59 13.890 -4.379 -6.168 1.00 0.00 H new ATOM 947 N GLN A 60 17.332 -5.568 -2.646 1.00 0.00 N ATOM 948 CA GLN A 60 18.021 -4.993 -1.484 1.00 0.00 C ATOM 949 C GLN A 60 17.233 -3.850 -0.816 1.00 0.00 C ATOM 950 O GLN A 60 17.392 -3.604 0.383 1.00 0.00 O ATOM 951 CB GLN A 60 19.418 -4.499 -1.897 1.00 0.00 C ATOM 952 CG GLN A 60 20.329 -5.638 -2.388 1.00 0.00 C ATOM 953 CD GLN A 60 21.734 -5.138 -2.716 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.059 -4.799 -3.848 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.626 -5.071 -1.748 1.00 0.00 N ATOM 0 H GLN A 60 17.820 -5.392 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 60 18.107 -5.788 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.317 -3.754 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.889 -4.003 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.388 -6.412 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.891 -6.098 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.372 -5.349 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.570 -4.741 -1.947 1.00 0.00 H new ATOM 964 N VAL A 61 16.397 -3.140 -1.580 1.00 0.00 N ATOM 965 CA VAL A 61 15.578 -2.007 -1.122 1.00 0.00 C ATOM 966 C VAL A 61 14.521 -2.463 -0.104 1.00 0.00 C ATOM 967 O VAL A 61 13.628 -3.253 -0.422 1.00 0.00 O ATOM 968 CB VAL A 61 14.920 -1.285 -2.321 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.161 -0.028 -1.869 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.963 -0.831 -3.353 1.00 0.00 C ATOM 0 H VAL A 61 16.265 -3.344 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 61 16.236 -1.297 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 61 14.237 -2.009 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.710 0.456 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.380 -0.309 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.854 0.662 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.462 -0.328 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.665 -0.143 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.503 -1.699 -3.730 1.00 0.00 H new ATOM 980 N ALA A 62 14.604 -1.933 1.122 1.00 0.00 N ATOM 981 CA ALA A 62 13.680 -2.193 2.234 1.00 0.00 C ATOM 982 C ALA A 62 12.211 -2.010 1.814 1.00 0.00 C ATOM 983 O ALA A 62 11.355 -2.871 2.041 1.00 0.00 O ATOM 984 CB ALA A 62 14.043 -1.243 3.386 1.00 0.00 C ATOM 0 H ALA A 62 15.348 -1.284 1.378 1.00 0.00 H new ATOM 0 HA ALA A 62 13.781 -3.231 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.370 -1.416 4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.070 -1.428 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.946 -0.210 3.050 1.00 0.00 H new ATOM 990 N HIS A 63 11.938 -0.863 1.181 1.00 0.00 N ATOM 991 CA HIS A 63 10.628 -0.455 0.672 1.00 0.00 C ATOM 992 C HIS A 63 9.998 -1.511 -0.247 1.00 0.00 C ATOM 993 O HIS A 63 8.915 -1.978 0.083 1.00 0.00 O ATOM 994 CB HIS A 63 10.720 0.918 -0.008 1.00 0.00 C ATOM 995 CG HIS A 63 11.360 1.995 0.837 1.00 0.00 C ATOM 996 ND1 HIS A 63 12.491 2.722 0.505 1.00 0.00 N ATOM 997 CD2 HIS A 63 10.915 2.427 2.055 1.00 0.00 C ATOM 998 CE1 HIS A 63 12.736 3.577 1.520 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.793 3.414 2.474 1.00 0.00 N ATOM 0 H HIS A 63 12.659 -0.164 1.003 1.00 0.00 H new ATOM 0 HA HIS A 63 9.957 -0.366 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.288 0.814 -0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.716 1.240 -0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.047 2.068 2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.555 4.280 1.563 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.737 3.929 3.352 1.00 0.00 H new ATOM 1008 N CYS A 64 10.662 -1.890 -1.347 1.00 0.00 N ATOM 1009 CA CYS A 64 10.220 -2.896 -2.328 1.00 0.00 C ATOM 1010 C CYS A 64 9.786 -4.212 -1.646 1.00 0.00 C ATOM 1011 O CYS A 64 8.650 -4.674 -1.797 1.00 0.00 O ATOM 1012 CB CYS A 64 11.358 -3.096 -3.348 1.00 0.00 C ATOM 1013 SG CYS A 64 10.904 -4.243 -4.693 1.00 0.00 S ATOM 0 H CYS A 64 11.566 -1.485 -1.591 1.00 0.00 H new ATOM 0 HA CYS A 64 9.331 -2.545 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.631 -2.131 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.240 -3.477 -2.833 1.00 0.00 H new ATOM 0 HG CYS A 64 11.769 -5.212 -4.748 1.00 0.00 H new ATOM 1018 N ALA A 65 10.681 -4.804 -0.848 1.00 0.00 N ATOM 1019 CA ALA A 65 10.418 -6.028 -0.094 1.00 0.00 C ATOM 1020 C ALA A 65 9.132 -5.931 0.762 1.00 0.00 C ATOM 1021 O ALA A 65 8.331 -6.867 0.800 1.00 0.00 O ATOM 1022 CB ALA A 65 11.660 -6.350 0.749 1.00 0.00 C ATOM 0 H ALA A 65 11.623 -4.438 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 65 10.231 -6.847 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.485 -7.261 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.518 -6.492 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.859 -5.525 1.433 1.00 0.00 H new ATOM 1028 N SER A 66 8.934 -4.797 1.441 1.00 0.00 N ATOM 1029 CA SER A 66 7.778 -4.500 2.299 1.00 0.00 C ATOM 1030 C SER A 66 6.480 -4.226 1.524 1.00 0.00 C ATOM 1031 O SER A 66 5.475 -4.893 1.755 1.00 0.00 O ATOM 1032 CB SER A 66 8.074 -3.291 3.194 1.00 0.00 C ATOM 1033 OG SER A 66 9.264 -3.492 3.927 1.00 0.00 O ATOM 0 H SER A 66 9.602 -4.027 1.408 1.00 0.00 H new ATOM 0 HA SER A 66 7.619 -5.400 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.165 -2.393 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.242 -3.127 3.879 1.00 0.00 H new ATOM 0 HG SER A 66 10.037 -3.303 3.355 1.00 0.00 H new ATOM 1039 N SER A 67 6.474 -3.238 0.621 1.00 0.00 N ATOM 1040 CA SER A 67 5.332 -2.771 -0.181 1.00 0.00 C ATOM 1041 C SER A 67 4.612 -3.887 -0.934 1.00 0.00 C ATOM 1042 O SER A 67 3.383 -3.983 -0.885 1.00 0.00 O ATOM 1043 CB SER A 67 5.766 -1.656 -1.135 1.00 0.00 C ATOM 1044 OG SER A 67 6.761 -2.118 -2.021 1.00 0.00 O ATOM 0 H SER A 67 7.321 -2.708 0.416 1.00 0.00 H new ATOM 0 HA SER A 67 4.604 -2.375 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.905 -1.299 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.146 -0.809 -0.564 1.00 0.00 H new ATOM 0 HG SER A 67 7.617 -2.181 -1.548 1.00 0.00 H new ATOM 1050 N ARG A 68 5.351 -4.770 -1.605 1.00 0.00 N ATOM 1051 CA ARG A 68 4.775 -5.937 -2.289 1.00 0.00 C ATOM 1052 C ARG A 68 3.970 -6.797 -1.311 1.00 0.00 C ATOM 1053 O ARG A 68 2.864 -7.219 -1.636 1.00 0.00 O ATOM 1054 CB ARG A 68 5.882 -6.742 -2.972 1.00 0.00 C ATOM 1055 CG ARG A 68 6.592 -5.939 -4.066 1.00 0.00 C ATOM 1056 CD ARG A 68 7.694 -6.805 -4.679 1.00 0.00 C ATOM 1057 NE ARG A 68 8.557 -6.027 -5.572 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.281 -5.576 -6.771 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.131 -5.745 -7.360 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.175 -4.918 -7.421 1.00 0.00 N ATOM 0 H ARG A 68 6.365 -4.700 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 68 4.085 -5.593 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.611 -7.059 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.456 -7.646 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.880 -5.636 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.018 -5.027 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.295 -7.246 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.244 -7.629 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 68 9.488 -5.810 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.385 -6.253 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.977 -5.369 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.090 -4.751 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.969 -4.563 -8.355 1.00 0.00 H new ATOM 1074 N GLN A 69 4.504 -7.033 -0.112 1.00 0.00 N ATOM 1075 CA GLN A 69 3.882 -7.801 0.972 1.00 0.00 C ATOM 1076 C GLN A 69 2.561 -7.174 1.445 1.00 0.00 C ATOM 1077 O GLN A 69 1.536 -7.854 1.435 1.00 0.00 O ATOM 1078 CB GLN A 69 4.878 -7.950 2.138 1.00 0.00 C ATOM 1079 CG GLN A 69 4.726 -9.259 2.922 1.00 0.00 C ATOM 1080 CD GLN A 69 3.443 -9.450 3.737 1.00 0.00 C ATOM 1081 OE1 GLN A 69 2.976 -10.562 3.912 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.830 -8.428 4.297 1.00 0.00 N ATOM 0 H GLN A 69 5.425 -6.678 0.144 1.00 0.00 H new ATOM 0 HA GLN A 69 3.632 -8.789 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.893 -7.889 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.749 -7.111 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.802 -10.085 2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.573 -9.344 3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.194 -7.484 4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.991 -8.581 4.857 1.00 0.00 H new ATOM 1091 N ILE A 70 2.564 -5.898 1.862 1.00 0.00 N ATOM 1092 CA ILE A 70 1.344 -5.211 2.335 1.00 0.00 C ATOM 1093 C ILE A 70 0.193 -5.284 1.317 1.00 0.00 C ATOM 1094 O ILE A 70 -0.945 -5.561 1.701 1.00 0.00 O ATOM 1095 CB ILE A 70 1.577 -3.766 2.855 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.696 -2.965 2.175 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.786 -3.817 4.377 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.766 -1.474 2.532 1.00 0.00 C ATOM 0 H ILE A 70 3.401 -5.315 1.882 1.00 0.00 H new ATOM 0 HA ILE A 70 1.036 -5.778 3.213 1.00 0.00 H new ATOM 0 HB ILE A 70 0.678 -3.211 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.651 -3.425 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.576 -3.055 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.951 -2.808 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.902 -4.243 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.654 -4.436 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.593 -1.010 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.832 -0.988 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.923 -1.364 3.605 1.00 0.00 H new ATOM 1110 N ILE A 71 0.473 -5.086 0.025 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.548 -5.219 -1.030 1.00 0.00 C ATOM 1112 C ILE A 71 -0.951 -6.686 -1.231 1.00 0.00 C ATOM 1113 O ILE A 71 -2.143 -6.961 -1.378 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.125 -4.504 -2.328 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.210 -3.020 -2.056 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.222 -4.581 -3.405 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.819 -2.245 -1.208 1.00 0.00 C ATOM 0 H ILE A 71 1.399 -4.832 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.450 -4.704 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 71 0.763 -5.018 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.177 -2.971 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.321 -2.511 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.886 -4.065 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.428 -5.625 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.131 -4.107 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.484 -1.216 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.785 -2.252 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.917 -2.719 -0.231 1.00 0.00 H new ATOM 1129 N SER A 72 -0.005 -7.635 -1.173 1.00 0.00 N ATOM 1130 CA SER A 72 -0.301 -9.083 -1.224 1.00 0.00 C ATOM 1131 C SER A 72 -1.338 -9.450 -0.162 1.00 0.00 C ATOM 1132 O SER A 72 -2.315 -10.133 -0.475 1.00 0.00 O ATOM 1133 CB SER A 72 0.932 -9.970 -1.010 1.00 0.00 C ATOM 1134 OG SER A 72 1.961 -9.679 -1.927 1.00 0.00 O ATOM 0 H SER A 72 0.990 -7.425 -1.089 1.00 0.00 H new ATOM 0 HA SER A 72 -0.678 -9.269 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.303 -9.834 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.646 -11.017 -1.108 1.00 0.00 H new ATOM 0 HG SER A 72 2.430 -8.866 -1.645 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.146 -8.981 1.079 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.084 -9.188 2.182 1.00 0.00 C ATOM 1142 C HIS A 73 -3.471 -8.650 1.805 1.00 0.00 C ATOM 1143 O HIS A 73 -4.404 -9.442 1.714 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.562 -8.577 3.495 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.419 -8.926 4.699 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.033 -9.713 5.762 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.723 -8.556 4.925 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.087 -9.832 6.592 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.149 -9.145 6.125 1.00 0.00 N ATOM 0 H HIS A 73 -0.323 -8.441 1.344 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.176 -10.260 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.543 -8.923 3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.517 -7.493 3.391 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.112 -10.131 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.319 -7.920 4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.082 -10.402 7.509 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.625 -7.337 1.571 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.928 -6.730 1.245 1.00 0.00 C ATOM 1159 C TRP A 74 -5.647 -7.391 0.052 1.00 0.00 C ATOM 1160 O TRP A 74 -6.860 -7.609 0.105 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.816 -5.207 1.071 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.135 -4.482 1.139 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -7.065 -4.674 2.101 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.693 -3.453 0.260 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.171 -3.881 1.863 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.990 -3.097 0.748 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.238 -2.768 -0.888 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.791 -2.123 0.135 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -7.022 -1.765 -1.491 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.294 -1.443 -0.983 1.00 0.00 C ATOM 0 H TRP A 74 -2.855 -6.668 1.602 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.564 -6.925 2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.156 -4.811 1.843 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.346 -4.995 0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.959 -5.350 2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.012 -3.878 2.439 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.275 -3.017 -1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.776 -1.901 0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.642 -1.237 -2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.886 -0.673 -1.455 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.911 -7.740 -1.016 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.428 -8.441 -2.205 1.00 0.00 C ATOM 1183 C LYS A 75 -6.057 -9.796 -1.834 1.00 0.00 C ATOM 1184 O LYS A 75 -7.163 -10.108 -2.279 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.295 -8.595 -3.245 1.00 0.00 C ATOM 1186 CG LYS A 75 -4.723 -9.261 -4.569 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.550 -8.334 -5.479 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.317 -9.098 -6.569 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.432 -9.794 -7.541 1.00 0.00 N ATOM 0 H LYS A 75 -3.913 -7.537 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.226 -7.845 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.886 -7.609 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.491 -9.182 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.833 -9.587 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.306 -10.154 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.258 -7.772 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.887 -7.608 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.971 -9.831 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.958 -8.400 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.964 -10.553 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.095 -9.114 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.618 -10.202 -7.039 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.344 -10.607 -1.049 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.758 -11.948 -0.616 1.00 0.00 C ATOM 1205 C ASN A 76 -6.819 -11.969 0.505 1.00 0.00 C ATOM 1206 O ASN A 76 -7.742 -12.785 0.452 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.517 -12.732 -0.160 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.733 -13.290 -1.329 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.981 -14.396 -1.786 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.787 -12.555 -1.859 1.00 0.00 N ATOM 0 H ASN A 76 -4.430 -10.341 -0.683 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.235 -12.410 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.873 -12.079 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.825 -13.549 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.255 -12.905 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.583 -11.632 -1.475 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.649 -11.145 1.540 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.470 -11.093 2.748 1.00 0.00 C ATOM 1219 C CYS A 77 -8.968 -10.838 2.476 1.00 0.00 C ATOM 1220 O CYS A 77 -9.361 -9.950 1.710 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.853 -10.049 3.695 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.472 -10.202 5.403 1.00 0.00 S ATOM 0 H CYS A 77 -5.894 -10.460 1.558 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.461 -12.076 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.769 -10.159 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.073 -9.049 3.321 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.883 -9.042 5.821 1.00 0.00 H new ATOM 1227 N THR A 78 -9.802 -11.649 3.128 1.00 0.00 N ATOM 1228 CA THR A 78 -11.276 -11.640 3.087 1.00 0.00 C ATOM 1229 C THR A 78 -11.897 -11.641 4.493 1.00 0.00 C ATOM 1230 O THR A 78 -13.127 -11.654 4.633 1.00 0.00 O ATOM 1231 CB THR A 78 -11.817 -12.831 2.272 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.248 -14.047 2.726 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.519 -12.688 0.778 1.00 0.00 C ATOM 0 H THR A 78 -9.447 -12.382 3.742 1.00 0.00 H new ATOM 0 HA THR A 78 -11.567 -10.712 2.595 1.00 0.00 H new ATOM 0 HB THR A 78 -12.897 -12.840 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.604 -14.792 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.918 -13.550 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.985 -11.778 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.441 -12.634 0.626 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.073 -11.577 5.551 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.482 -11.525 6.962 1.00 0.00 C ATOM 1243 C ARG A 79 -12.379 -10.303 7.199 1.00 0.00 C ATOM 1244 O ARG A 79 -11.959 -9.159 7.021 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.220 -11.508 7.845 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.543 -11.462 9.344 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.281 -11.314 10.199 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.642 -10.951 11.581 1.00 0.00 N ATOM 1249 CZ ARG A 79 -8.843 -10.514 12.534 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.553 -10.420 12.370 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -9.334 -10.158 13.685 1.00 0.00 N ATOM 0 H ARG A 79 -10.059 -11.559 5.440 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.067 -12.406 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.623 -12.395 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.610 -10.643 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.216 -10.629 9.544 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.069 -12.373 9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.719 -12.248 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.631 -10.550 9.772 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.626 -11.050 11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.131 -10.689 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.966 -10.077 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.339 -10.217 13.851 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.714 -9.820 14.421 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.626 -10.549 7.611 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.661 -9.525 7.856 1.00 0.00 C ATOM 1267 C HIS A 80 -14.397 -8.604 9.071 1.00 0.00 C ATOM 1268 O HIS A 80 -15.233 -7.759 9.386 1.00 0.00 O ATOM 1269 CB HIS A 80 -16.036 -10.221 7.958 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.550 -10.877 6.689 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.818 -11.289 5.584 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -17.863 -11.177 6.454 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.678 -11.833 4.700 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.928 -11.775 5.205 1.00 0.00 N ATOM 0 H HIS A 80 -13.960 -11.496 7.791 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.638 -8.844 7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.979 -10.981 8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.770 -9.484 8.284 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.809 -11.197 5.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.694 -10.984 7.117 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.409 -12.249 3.740 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.258 -8.743 9.757 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.856 -7.934 10.917 1.00 0.00 C ATOM 1285 C ASP A 81 -11.331 -7.675 11.030 1.00 0.00 C ATOM 1286 O ASP A 81 -10.855 -7.315 12.111 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.418 -8.571 12.207 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.622 -9.799 12.683 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.458 -10.766 11.905 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.125 -9.810 13.835 1.00 0.00 O ATOM 0 H ASP A 81 -12.563 -9.448 9.512 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.287 -6.944 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.424 -7.823 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.454 -8.863 12.037 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.555 -7.809 9.940 1.00 0.00 N ATOM 1296 CA CYS A 82 -9.110 -7.520 9.944 1.00 0.00 C ATOM 1297 C CYS A 82 -8.905 -6.024 10.305 1.00 0.00 C ATOM 1298 O CYS A 82 -9.655 -5.175 9.802 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.514 -7.847 8.559 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.765 -8.390 8.568 1.00 0.00 S ATOM 0 H CYS A 82 -10.910 -8.119 9.035 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.598 -8.135 10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.118 -8.629 8.097 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.600 -6.963 7.927 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.531 -9.116 7.515 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.933 -5.656 11.164 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.719 -4.277 11.620 1.00 0.00 C ATOM 1307 C PRO A 83 -7.452 -3.221 10.532 1.00 0.00 C ATOM 1308 O PRO A 83 -7.549 -2.029 10.832 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.569 -4.351 12.634 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.839 -5.634 12.244 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.985 -6.541 11.821 1.00 0.00 C ATOM 0 HA PRO A 83 -8.653 -3.914 12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.916 -3.481 12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.938 -4.394 13.659 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.130 -5.468 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.276 -6.052 13.079 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.641 -7.325 11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.436 -7.036 12.681 1.00 0.00 H new ATOM 1319 N VAL A 84 -7.128 -3.615 9.292 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.845 -2.690 8.174 1.00 0.00 C ATOM 1321 C VAL A 84 -7.757 -2.962 6.977 1.00 0.00 C ATOM 1322 O VAL A 84 -8.399 -2.044 6.464 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.365 -2.704 7.729 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -5.010 -1.312 7.190 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.388 -3.065 8.853 1.00 0.00 C ATOM 0 H VAL A 84 -7.053 -4.598 9.029 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.053 -1.692 8.560 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.264 -3.477 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.968 -1.301 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.653 -1.075 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.157 -0.570 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.369 -3.055 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.477 -2.338 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.622 -4.059 9.233 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.818 -4.212 6.521 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.602 -4.669 5.385 1.00 0.00 C ATOM 1337 C CYS A 85 -10.093 -4.286 5.498 1.00 0.00 C ATOM 1338 O CYS A 85 -10.650 -3.743 4.541 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.370 -6.182 5.221 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.604 -6.632 5.413 1.00 0.00 S ATOM 0 H CYS A 85 -7.293 -4.969 6.960 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.268 -4.161 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.964 -6.722 5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.720 -6.498 4.238 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.442 -7.290 6.522 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.730 -4.540 6.653 1.00 0.00 N ATOM 1346 CA LEU A 86 -12.132 -4.191 6.925 1.00 0.00 C ATOM 1347 C LEU A 86 -12.421 -2.689 6.701 1.00 0.00 C ATOM 1348 O LEU A 86 -13.215 -2.401 5.800 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.573 -4.733 8.303 1.00 0.00 C ATOM 1350 CG LEU A 86 -14.062 -4.584 8.686 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.483 -3.170 9.091 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -15.001 -5.092 7.593 1.00 0.00 C ATOM 0 H LEU A 86 -10.274 -5.003 7.439 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.761 -4.693 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.320 -5.792 8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.978 -4.233 9.067 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.156 -5.212 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.544 -3.164 9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.903 -2.852 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.303 -2.485 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -16.035 -4.964 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.832 -4.526 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.806 -6.148 7.408 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.827 -1.724 7.445 1.00 0.00 N ATOM 1365 CA PRO A 87 -12.101 -0.298 7.242 1.00 0.00 C ATOM 1366 C PRO A 87 -11.807 0.175 5.809 1.00 0.00 C ATOM 1367 O PRO A 87 -12.562 0.984 5.266 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.308 0.462 8.309 1.00 0.00 C ATOM 1369 CG PRO A 87 -10.221 -0.516 8.744 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.880 -1.883 8.544 1.00 0.00 C ATOM 0 HA PRO A 87 -13.166 -0.098 7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.879 1.379 7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.943 0.748 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.320 -0.411 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.929 -0.358 9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -10.135 -2.643 8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.389 -2.206 9.452 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.748 -0.333 5.167 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.438 -0.019 3.766 1.00 0.00 C ATOM 1380 C LEU A 88 -11.564 -0.474 2.819 1.00 0.00 C ATOM 1381 O LEU A 88 -11.964 0.292 1.938 1.00 0.00 O ATOM 1382 CB LEU A 88 -9.097 -0.645 3.366 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.860 0.030 3.978 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.644 -0.837 3.665 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.625 1.427 3.394 1.00 0.00 C ATOM 0 H LEU A 88 -10.083 -0.972 5.603 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.358 1.064 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.101 -1.695 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.009 -0.616 2.280 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.018 0.134 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.751 -0.378 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.783 -1.828 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.528 -0.925 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.741 1.869 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.475 1.351 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.492 2.056 3.595 1.00 0.00 H new ATOM 1397 N LYS A 89 -12.089 -1.697 2.998 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.220 -2.252 2.231 1.00 0.00 C ATOM 1399 C LYS A 89 -14.468 -1.385 2.429 1.00 0.00 C ATOM 1400 O LYS A 89 -15.033 -0.891 1.452 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.425 -3.739 2.600 1.00 0.00 C ATOM 1402 CG LYS A 89 -14.333 -4.529 1.638 1.00 0.00 C ATOM 1403 CD LYS A 89 -15.839 -4.383 1.915 1.00 0.00 C ATOM 1404 CE LYS A 89 -16.707 -5.173 0.924 1.00 0.00 C ATOM 1405 NZ LYS A 89 -16.591 -6.646 1.104 1.00 0.00 N ATOM 0 H LYS A 89 -11.730 -2.346 3.699 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.003 -2.228 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.451 -4.226 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.848 -3.794 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.131 -4.202 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.067 -5.585 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.052 -4.723 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.111 -3.329 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.749 -4.878 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.418 -4.912 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.197 -7.129 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.602 -6.936 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.893 -6.903 2.066 1.00 0.00 H new ATOM 1731 N GLY B 114 9.045 7.688 11.718 1.00 0.00 N ATOM 1732 CA GLY B 114 8.879 8.472 10.484 1.00 0.00 C ATOM 1733 C GLY B 114 8.525 7.510 9.351 1.00 0.00 C ATOM 1734 O GLY B 114 7.354 7.199 9.140 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.093 9.217 10.610 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.796 9.013 10.251 1.00 0.00 H new ATOM 1738 N LEU B 115 9.553 6.970 8.695 1.00 0.00 N ATOM 1739 CA LEU B 115 9.472 5.912 7.684 1.00 0.00 C ATOM 1740 C LEU B 115 10.419 4.776 8.126 1.00 0.00 C ATOM 1741 O LEU B 115 11.630 5.005 8.229 1.00 0.00 O ATOM 1742 CB LEU B 115 9.817 6.446 6.281 1.00 0.00 C ATOM 1743 CG LEU B 115 8.668 7.201 5.585 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.156 7.721 4.233 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.464 6.298 5.306 1.00 0.00 C ATOM 0 H LEU B 115 10.513 7.273 8.862 1.00 0.00 H new ATOM 0 HA LEU B 115 8.453 5.532 7.609 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.677 7.111 6.360 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.119 5.609 5.651 1.00 0.00 H new ATOM 0 HG LEU B 115 8.365 8.006 6.254 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.347 8.256 3.736 1.00 0.00 H new ATOM 0 HD12 LEU B 115 9.998 8.396 4.385 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.471 6.882 3.613 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.681 6.876 4.815 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.768 5.476 4.658 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.084 5.898 6.246 1.00 0.00 H new ATOM 1757 N PRO B 116 9.897 3.574 8.437 1.00 0.00 N ATOM 1758 CA PRO B 116 10.695 2.462 8.953 1.00 0.00 C ATOM 1759 C PRO B 116 11.474 1.707 7.866 1.00 0.00 C ATOM 1760 O PRO B 116 11.242 1.872 6.664 1.00 0.00 O ATOM 1761 CB PRO B 116 9.659 1.542 9.610 1.00 0.00 C ATOM 1762 CG PRO B 116 8.451 1.695 8.687 1.00 0.00 C ATOM 1763 CD PRO B 116 8.492 3.186 8.363 1.00 0.00 C ATOM 0 HA PRO B 116 11.466 2.820 9.636 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.005 0.510 9.658 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.432 1.850 10.631 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.540 1.080 7.792 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.522 1.409 9.179 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.085 3.381 7.371 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.892 3.756 9.072 1.00 0.00 H new ATOM 1771 N GLN B 117 12.354 0.809 8.312 1.00 0.00 N ATOM 1772 CA GLN B 117 13.118 -0.117 7.471 1.00 0.00 C ATOM 1773 C GLN B 117 12.608 -1.545 7.713 1.00 0.00 C ATOM 1774 O GLN B 117 13.328 -2.435 8.177 1.00 0.00 O ATOM 1775 CB GLN B 117 14.632 0.057 7.692 1.00 0.00 C ATOM 1776 CG GLN B 117 15.147 1.296 6.950 1.00 0.00 C ATOM 1777 CD GLN B 117 16.639 1.526 7.184 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.487 1.193 6.364 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.023 2.106 8.303 1.00 0.00 N ATOM 0 H GLN B 117 12.563 0.702 9.305 1.00 0.00 H new ATOM 0 HA GLN B 117 12.961 0.106 6.416 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.841 0.152 8.758 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.160 -0.829 7.341 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.961 1.182 5.882 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.589 2.173 7.279 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.329 2.389 8.995 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.014 2.272 8.477 1.00 0.00 H new ATOM 1788 N LEU B 118 11.335 -1.751 7.355 1.00 0.00 N ATOM 1789 CA LEU B 118 10.673 -3.056 7.366 1.00 0.00 C ATOM 1790 C LEU B 118 11.264 -3.919 6.231 1.00 0.00 C ATOM 1791 O LEU B 118 12.019 -3.438 5.376 1.00 0.00 O ATOM 1792 CB LEU B 118 9.150 -2.872 7.178 1.00 0.00 C ATOM 1793 CG LEU B 118 8.402 -2.191 8.338 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.979 -1.850 7.893 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.309 -3.072 9.586 1.00 0.00 C ATOM 0 H LEU B 118 10.725 -0.996 7.043 1.00 0.00 H new ATOM 0 HA LEU B 118 10.839 -3.555 8.321 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.984 -2.288 6.273 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.704 -3.852 7.011 1.00 0.00 H new ATOM 0 HG LEU B 118 8.970 -1.297 8.596 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.447 -1.368 8.713 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.017 -1.175 7.038 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.457 -2.764 7.610 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.771 -2.538 10.369 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.777 -3.992 9.343 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.312 -3.315 9.936 1.00 0.00 H new ATOM 1807 N THR B 119 10.915 -5.202 6.210 1.00 0.00 N ATOM 1808 CA THR B 119 11.348 -6.161 5.184 1.00 0.00 C ATOM 1809 C THR B 119 10.207 -7.107 4.818 1.00 0.00 C ATOM 1810 O THR B 119 9.191 -7.172 5.518 1.00 0.00 O ATOM 1811 CB THR B 119 12.574 -6.976 5.645 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.251 -7.807 6.740 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.782 -6.110 6.017 1.00 0.00 C ATOM 0 H THR B 119 10.311 -5.618 6.918 1.00 0.00 H new ATOM 0 HA THR B 119 11.635 -5.585 4.304 1.00 0.00 H new ATOM 0 HB THR B 119 12.856 -7.581 4.783 1.00 0.00 H new ATOM 0 HG1 THR B 119 12.158 -7.261 7.549 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.606 -6.751 6.331 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.089 -5.523 5.152 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.512 -5.440 6.833 1.00 0.00 H new ATOM 1821 N SER B 120 10.384 -7.886 3.749 1.00 0.00 N ATOM 1822 CA SER B 120 9.446 -8.935 3.327 1.00 0.00 C ATOM 1823 C SER B 120 9.199 -9.899 4.494 1.00 0.00 C ATOM 1824 O SER B 120 8.051 -10.133 4.867 1.00 0.00 O ATOM 1825 CB SER B 120 9.981 -9.675 2.095 1.00 0.00 C ATOM 1826 OG SER B 120 11.346 -10.033 2.284 1.00 0.00 O ATOM 0 H SER B 120 11.198 -7.806 3.139 1.00 0.00 H new ATOM 0 HA SER B 120 8.497 -8.479 3.046 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.386 -10.570 1.914 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.883 -9.043 1.212 1.00 0.00 H new ATOM 0 HG SER B 120 11.673 -10.506 1.490 1.00 0.00 H new ATOM 1832 N TYR B 121 10.279 -10.391 5.114 1.00 0.00 N ATOM 1833 CA TYR B 121 10.268 -11.246 6.303 1.00 0.00 C ATOM 1834 C TYR B 121 9.438 -10.631 7.442 1.00 0.00 C ATOM 1835 O TYR B 121 8.483 -11.259 7.894 1.00 0.00 O ATOM 1836 CB TYR B 121 11.707 -11.538 6.758 1.00 0.00 C ATOM 1837 CG TYR B 121 11.786 -12.438 7.980 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.775 -11.881 9.276 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.831 -13.838 7.820 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.792 -12.718 10.407 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.867 -14.679 8.951 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.844 -14.120 10.249 1.00 0.00 C ATOM 1843 OH TYR B 121 11.858 -14.924 11.348 1.00 0.00 O ATOM 0 H TYR B 121 11.224 -10.194 4.785 1.00 0.00 H new ATOM 0 HA TYR B 121 9.789 -12.188 6.036 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.251 -12.005 5.937 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.208 -10.595 6.978 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.753 -10.808 9.401 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.838 -14.267 6.829 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.765 -12.287 11.397 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.912 -15.751 8.826 1.00 0.00 H new ATOM 0 HH TYR B 121 11.894 -15.862 11.067 1.00 0.00 H new ATOM 1853 N ASP B 122 9.774 -9.415 7.897 1.00 0.00 N ATOM 1854 CA ASP B 122 9.050 -8.713 8.971 1.00 0.00 C ATOM 1855 C ASP B 122 7.542 -8.645 8.694 1.00 0.00 C ATOM 1856 O ASP B 122 6.731 -9.023 9.541 1.00 0.00 O ATOM 1857 CB ASP B 122 9.587 -7.285 9.176 1.00 0.00 C ATOM 1858 CG ASP B 122 10.953 -7.245 9.869 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.041 -7.678 11.044 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.921 -6.737 9.257 1.00 0.00 O ATOM 0 H ASP B 122 10.563 -8.885 7.527 1.00 0.00 H new ATOM 0 HA ASP B 122 9.216 -9.293 9.879 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.664 -6.791 8.208 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.870 -6.716 9.768 1.00 0.00 H new ATOM 1865 N CYS B 123 7.172 -8.165 7.506 1.00 0.00 N ATOM 1866 CA CYS B 123 5.787 -8.022 7.069 1.00 0.00 C ATOM 1867 C CYS B 123 5.048 -9.377 7.023 1.00 0.00 C ATOM 1868 O CYS B 123 3.967 -9.498 7.599 1.00 0.00 O ATOM 1869 CB CYS B 123 5.760 -7.263 5.738 1.00 0.00 C ATOM 1870 SG CYS B 123 6.452 -5.594 5.916 1.00 0.00 S ATOM 0 H CYS B 123 7.846 -7.858 6.805 1.00 0.00 H new ATOM 0 HA CYS B 123 5.233 -7.435 7.801 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.328 -7.816 4.990 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.734 -7.197 5.375 1.00 0.00 H new ATOM 0 HG CYS B 123 7.748 -5.649 5.823 1.00 0.00 H new ATOM 1876 N GLU B 124 5.628 -10.406 6.388 1.00 0.00 N ATOM 1877 CA GLU B 124 5.080 -11.775 6.320 1.00 0.00 C ATOM 1878 C GLU B 124 4.832 -12.361 7.719 1.00 0.00 C ATOM 1879 O GLU B 124 3.769 -12.923 7.984 1.00 0.00 O ATOM 1880 CB GLU B 124 6.017 -12.711 5.528 1.00 0.00 C ATOM 1881 CG GLU B 124 5.926 -12.499 4.011 1.00 0.00 C ATOM 1882 CD GLU B 124 6.976 -13.316 3.235 1.00 0.00 C ATOM 1883 OE1 GLU B 124 6.944 -14.569 3.278 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.817 -12.716 2.522 1.00 0.00 O ATOM 0 H GLU B 124 6.515 -10.310 5.893 1.00 0.00 H new ATOM 0 HA GLU B 124 4.124 -11.704 5.801 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.045 -12.548 5.852 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.770 -13.747 5.761 1.00 0.00 H new ATOM 0 HG2 GLU B 124 4.929 -12.776 3.668 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.057 -11.440 3.787 1.00 0.00 H new ATOM 1891 N VAL B 125 5.810 -12.226 8.620 1.00 0.00 N ATOM 1892 CA VAL B 125 5.773 -12.686 10.017 1.00 0.00 C ATOM 1893 C VAL B 125 4.656 -12.009 10.821 1.00 0.00 C ATOM 1894 O VAL B 125 3.892 -12.684 11.514 1.00 0.00 O ATOM 1895 CB VAL B 125 7.163 -12.462 10.657 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.182 -12.430 12.190 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.115 -13.567 10.191 1.00 0.00 C ATOM 0 H VAL B 125 6.693 -11.771 8.386 1.00 0.00 H new ATOM 0 HA VAL B 125 5.541 -13.751 10.031 1.00 0.00 H new ATOM 0 HB VAL B 125 7.473 -11.471 10.327 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.202 -12.268 12.538 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.545 -11.620 12.545 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.813 -13.379 12.578 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.097 -13.414 10.639 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.724 -14.537 10.497 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.203 -13.537 9.105 1.00 0.00 H new ATOM 1907 N ASN B 126 4.576 -10.678 10.772 1.00 0.00 N ATOM 1908 CA ASN B 126 3.617 -9.876 11.539 1.00 0.00 C ATOM 1909 C ASN B 126 2.177 -9.900 10.994 1.00 0.00 C ATOM 1910 O ASN B 126 1.237 -9.843 11.792 1.00 0.00 O ATOM 1911 CB ASN B 126 4.160 -8.446 11.663 1.00 0.00 C ATOM 1912 CG ASN B 126 5.272 -8.351 12.690 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.047 -8.044 13.848 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.497 -8.654 12.332 1.00 0.00 N ATOM 0 H ASN B 126 5.190 -10.113 10.185 1.00 0.00 H new ATOM 0 HA ASN B 126 3.527 -10.333 12.524 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.531 -8.113 10.694 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.349 -7.773 11.942 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.250 -8.631 13.020 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.697 -8.912 11.366 1.00 0.00 H new ATOM 1921 N ALA B 127 1.982 -9.967 9.673 1.00 0.00 N ATOM 1922 CA ALA B 127 0.664 -10.000 9.028 1.00 0.00 C ATOM 1923 C ALA B 127 0.615 -11.008 7.848 1.00 0.00 C ATOM 1924 O ALA B 127 0.609 -10.593 6.681 1.00 0.00 O ATOM 1925 CB ALA B 127 0.301 -8.563 8.619 1.00 0.00 C ATOM 0 H ALA B 127 2.754 -10.001 9.007 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.087 -10.367 9.727 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.676 -8.558 8.136 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.271 -7.929 9.505 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.050 -8.182 7.925 1.00 0.00 H new ATOM 1931 N PRO B 128 0.561 -12.329 8.127 1.00 0.00 N ATOM 1932 CA PRO B 128 0.513 -13.386 7.109 1.00 0.00 C ATOM 1933 C PRO B 128 -0.609 -13.222 6.072 1.00 0.00 C ATOM 1934 O PRO B 128 -1.750 -12.889 6.403 1.00 0.00 O ATOM 1935 CB PRO B 128 0.349 -14.704 7.878 1.00 0.00 C ATOM 1936 CG PRO B 128 0.909 -14.398 9.263 1.00 0.00 C ATOM 1937 CD PRO B 128 0.563 -12.925 9.459 1.00 0.00 C ATOM 0 HA PRO B 128 1.428 -13.349 6.518 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.696 -15.008 7.929 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.895 -15.516 7.398 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.453 -15.025 10.030 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.984 -14.569 9.310 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.410 -12.814 9.937 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.293 -12.436 10.104 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.274 -13.485 4.809 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.164 -13.431 3.637 1.00 0.00 C ATOM 1947 C ILE B 129 -2.183 -14.582 3.730 1.00 0.00 C ATOM 1948 O ILE B 129 -1.808 -15.737 3.945 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.301 -13.494 2.351 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.645 -12.269 2.291 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.138 -13.533 1.059 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.839 -12.479 1.360 1.00 0.00 C ATOM 0 H ILE B 129 0.676 -13.757 4.557 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.728 -12.499 3.607 1.00 0.00 H new ATOM 0 HB ILE B 129 0.264 -14.424 2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.081 -11.398 1.958 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.009 -12.049 3.295 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.473 -13.576 0.196 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.780 -14.414 1.068 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.754 -12.636 0.997 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.463 -11.586 1.362 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.424 -13.331 1.705 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.482 -12.670 0.348 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.479 -14.266 3.608 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.596 -15.218 3.741 1.00 0.00 C ATOM 1966 C GLN B 130 -4.524 -16.416 2.774 1.00 0.00 C ATOM 1967 O GLN B 130 -4.729 -17.559 3.191 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.926 -14.453 3.608 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.197 -15.314 3.735 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.347 -15.994 5.097 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -8.019 -15.509 5.999 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.738 -17.144 5.304 1.00 0.00 N ATOM 0 H GLN B 130 -3.791 -13.316 3.409 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.523 -15.668 4.731 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.956 -13.675 4.371 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -5.942 -13.951 2.640 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -8.070 -14.686 3.554 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.187 -16.077 2.957 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -6.174 -17.563 4.564 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.830 -17.615 6.204 1.00 0.00 H new ATOM 2037 N LEU B 135 4.477 -11.699 -2.546 1.00 0.00 N ATOM 2038 CA LEU B 135 4.984 -10.464 -3.162 1.00 0.00 C ATOM 2039 C LEU B 135 4.420 -10.114 -4.559 1.00 0.00 C ATOM 2040 O LEU B 135 4.977 -10.474 -5.601 1.00 0.00 O ATOM 2041 CB LEU B 135 6.525 -10.454 -3.158 1.00 0.00 C ATOM 2042 CG LEU B 135 7.232 -10.649 -1.800 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.671 -10.153 -1.933 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.627 -9.900 -0.610 1.00 0.00 C ATOM 0 HA LEU B 135 4.601 -9.664 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.869 -11.238 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.857 -9.504 -3.578 1.00 0.00 H new ATOM 0 HG LEU B 135 7.132 -11.713 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.190 -10.282 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU B 135 9.183 -10.725 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.668 -9.097 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.207 -10.114 0.288 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.645 -8.828 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.597 -10.224 -0.462 1.00 0.00 H new ATOM 2056 N LEU B 136 3.315 -9.368 -4.538 1.00 0.00 N ATOM 2057 CA LEU B 136 2.551 -8.802 -5.656 1.00 0.00 C ATOM 2058 C LEU B 136 3.483 -8.004 -6.609 1.00 0.00 C ATOM 2059 O LEU B 136 4.382 -7.291 -6.156 1.00 0.00 O ATOM 2060 CB LEU B 136 1.448 -7.939 -4.995 1.00 0.00 C ATOM 2061 CG LEU B 136 0.130 -7.696 -5.746 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.328 -7.141 -7.138 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.771 -8.921 -5.878 1.00 0.00 C ATOM 0 H LEU B 136 2.887 -9.118 -3.646 1.00 0.00 H new ATOM 0 HA LEU B 136 2.099 -9.562 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU B 136 1.200 -8.401 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.883 -6.964 -4.774 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.362 -6.963 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.642 -6.993 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.852 -6.187 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.917 -7.842 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.676 -8.650 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.242 -9.705 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.039 -9.284 -4.886 1.00 0.00 H new ATOM 2075 N GLN B 137 3.306 -8.140 -7.929 1.00 0.00 N ATOM 2076 CA GLN B 137 4.155 -7.523 -8.969 1.00 0.00 C ATOM 2077 C GLN B 137 3.371 -6.915 -10.151 1.00 0.00 C ATOM 2078 O GLN B 137 2.248 -7.319 -10.454 1.00 0.00 O ATOM 2079 CB GLN B 137 5.123 -8.599 -9.503 1.00 0.00 C ATOM 2080 CG GLN B 137 6.255 -8.966 -8.529 1.00 0.00 C ATOM 2081 CD GLN B 137 6.787 -10.371 -8.797 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.405 -10.650 -9.816 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.548 -11.310 -7.904 1.00 0.00 N ATOM 0 H GLN B 137 2.547 -8.698 -8.320 1.00 0.00 H new ATOM 0 HA GLN B 137 4.680 -6.692 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN B 137 4.555 -9.499 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.562 -8.246 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN B 137 7.066 -8.244 -8.623 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.890 -8.903 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.034 -11.085 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN B 137 6.877 -12.262 -8.064 1.00 0.00 H new ATOM 2092 N GLY B 138 4.012 -5.966 -10.845 1.00 0.00 N ATOM 2093 CA GLY B 138 3.537 -5.274 -12.053 1.00 0.00 C ATOM 2094 C GLY B 138 2.161 -4.612 -11.963 1.00 0.00 C ATOM 2095 O GLY B 138 1.813 -4.034 -10.939 1.00 0.00 O ATOM 0 H GLY B 138 4.935 -5.639 -10.561 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.267 -4.509 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.517 -5.993 -12.872 1.00 0.00 H new ATOM 2099 N GLU B 139 1.392 -4.628 -13.055 1.00 0.00 N ATOM 2100 CA GLU B 139 0.095 -3.931 -13.145 1.00 0.00 C ATOM 2101 C GLU B 139 -0.915 -4.326 -12.051 1.00 0.00 C ATOM 2102 O GLU B 139 -1.696 -3.479 -11.615 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.495 -4.056 -14.560 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.490 -2.921 -14.851 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.993 -2.950 -16.305 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.236 -2.564 -17.228 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -3.161 -3.353 -16.530 1.00 0.00 O ATOM 0 H GLU B 139 1.648 -5.125 -13.908 1.00 0.00 H new ATOM 0 HA GLU B 139 0.303 -2.879 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.309 -4.035 -15.295 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -0.997 -5.018 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.339 -3.001 -14.173 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -1.013 -1.961 -14.652 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.877 -5.570 -11.551 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.717 -6.010 -10.425 1.00 0.00 C ATOM 2116 C GLU B 140 -1.543 -5.103 -9.195 1.00 0.00 C ATOM 2117 O GLU B 140 -2.512 -4.913 -8.461 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.470 -7.482 -10.052 1.00 0.00 C ATOM 2119 CG GLU B 140 -2.137 -8.475 -11.010 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.674 -8.436 -10.893 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -4.210 -8.736 -9.798 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.350 -8.104 -11.896 1.00 0.00 O ATOM 0 H GLU B 140 -0.264 -6.299 -11.915 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.750 -5.927 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.396 -7.669 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.839 -7.660 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.844 -8.245 -12.034 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -1.781 -9.483 -10.795 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.353 -4.514 -8.988 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.090 -3.549 -7.914 1.00 0.00 C ATOM 2131 C LEU B 141 -1.080 -2.391 -8.059 1.00 0.00 C ATOM 2132 O LEU B 141 -1.936 -2.184 -7.207 1.00 0.00 O ATOM 2133 CB LEU B 141 1.350 -2.991 -7.980 1.00 0.00 C ATOM 2134 CG LEU B 141 2.493 -3.980 -7.704 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.797 -3.413 -8.260 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.678 -4.197 -6.202 1.00 0.00 C ATOM 0 H LEU B 141 0.463 -4.699 -9.572 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.206 -4.056 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.503 -2.564 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.430 -2.173 -7.265 1.00 0.00 H new ATOM 0 HG LEU B 141 2.242 -4.928 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.610 -4.113 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.698 -3.261 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.015 -2.460 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.493 -4.901 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.915 -3.247 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.758 -4.598 -5.776 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.965 -1.649 -9.163 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.771 -0.471 -9.477 1.00 0.00 C ATOM 2150 C LEU B 142 -3.274 -0.778 -9.447 1.00 0.00 C ATOM 2151 O LEU B 142 -4.035 -0.004 -8.868 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.325 0.154 -10.809 1.00 0.00 C ATOM 2153 CG LEU B 142 0.193 0.380 -10.989 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.407 1.451 -12.055 1.00 0.00 C ATOM 2155 CD2 LEU B 142 0.935 0.850 -9.734 1.00 0.00 C ATOM 0 H LEU B 142 -0.281 -1.862 -9.889 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.600 0.270 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.673 -0.486 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.829 1.114 -10.921 1.00 0.00 H new ATOM 0 HG LEU B 142 0.598 -0.596 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.475 1.620 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -0.031 1.120 -12.996 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -0.070 2.379 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU B 142 1.993 0.980 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.518 1.799 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.824 0.106 -8.945 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.695 -1.916 -10.019 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.087 -2.410 -9.990 1.00 0.00 C ATOM 2169 C ARG B 143 -5.578 -2.552 -8.543 1.00 0.00 C ATOM 2170 O ARG B 143 -6.637 -2.025 -8.200 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.203 -3.750 -10.735 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.978 -3.644 -12.254 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.850 -5.053 -12.846 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.495 -5.048 -14.275 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.310 -6.114 -15.032 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -4.407 -7.331 -14.578 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -4.005 -5.968 -16.286 1.00 0.00 N ATOM 0 H ARG B 143 -3.065 -2.536 -10.528 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.720 -1.682 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.478 -4.449 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.192 -4.171 -10.553 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.809 -3.115 -12.720 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.077 -3.067 -12.461 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.092 -5.606 -12.291 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.793 -5.583 -12.714 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.382 -4.138 -14.721 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.635 -7.493 -13.597 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -4.255 -8.122 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.909 -5.033 -16.682 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -3.861 -6.788 -16.875 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.806 -3.241 -7.696 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.092 -3.428 -6.274 1.00 0.00 C ATOM 2193 C ALA B 144 -5.166 -2.080 -5.526 1.00 0.00 C ATOM 2194 O ALA B 144 -6.115 -1.862 -4.775 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.061 -4.385 -5.654 1.00 0.00 C ATOM 0 H ALA B 144 -3.942 -3.695 -7.991 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.077 -3.884 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.280 -4.520 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.109 -5.349 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.061 -3.966 -5.767 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.201 -1.171 -5.729 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.177 0.164 -5.111 1.00 0.00 C ATOM 2203 C LEU B 145 -5.391 1.025 -5.507 1.00 0.00 C ATOM 2204 O LEU B 145 -5.989 1.694 -4.667 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.894 0.938 -5.478 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.542 0.325 -5.081 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.420 1.300 -5.382 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.440 -0.052 -3.614 1.00 0.00 C ATOM 0 H LEU B 145 -3.401 -1.345 -6.338 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.209 -0.016 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.890 1.084 -6.558 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.959 1.926 -5.023 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.458 -0.589 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.534 0.856 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.411 1.526 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.576 2.219 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.456 -0.477 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.582 0.837 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.208 -0.787 -3.373 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.732 1.067 -6.797 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.810 1.902 -7.339 1.00 0.00 C ATOM 2222 C ASP B 146 -8.228 1.545 -6.843 1.00 0.00 C ATOM 2223 O ASP B 146 -9.116 2.396 -6.904 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.739 1.923 -8.872 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.633 3.020 -9.477 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.507 4.197 -9.054 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.443 2.715 -10.384 1.00 0.00 O ATOM 0 H ASP B 146 -5.258 0.511 -7.509 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.635 2.904 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.707 2.083 -9.185 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.043 0.952 -9.262 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.472 0.331 -6.335 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.800 -0.064 -5.829 1.00 0.00 C ATOM 2234 C GLN B 147 -10.302 0.790 -4.641 1.00 0.00 C ATOM 2235 O GLN B 147 -11.512 0.871 -4.417 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.854 -1.577 -5.546 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.392 -1.966 -4.137 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.192 -3.472 -3.996 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -10.131 -4.250 -3.888 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.962 -3.940 -4.000 1.00 0.00 N ATOM 0 H GLN B 147 -7.766 -0.401 -6.262 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.510 0.149 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.876 -1.927 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.233 -2.095 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.458 -1.453 -3.907 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.129 -1.628 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.173 -3.300 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.798 -4.943 -3.914 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.401 1.442 -3.891 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.742 2.335 -2.768 1.00 0.00 C ATOM 2251 C VAL B 148 -10.564 3.516 -3.297 1.00 0.00 C ATOM 2252 O VAL B 148 -10.081 4.288 -4.127 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.490 2.900 -2.061 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.879 3.598 -0.749 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.441 1.857 -1.689 1.00 0.00 C ATOM 0 H VAL B 148 -8.396 1.364 -4.049 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.305 1.744 -2.045 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.059 3.582 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.984 3.989 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.564 4.418 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.366 2.882 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.600 2.346 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.880 1.124 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.092 1.354 -2.591 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.804 3.670 -2.833 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.698 4.769 -3.228 1.00 0.00 C ATOM 2267 C ASN B 149 -13.684 5.173 -2.111 1.00 0.00 C ATOM 2268 O ASN B 149 -14.030 4.318 -1.263 1.00 0.00 O ATOM 2269 CB ASN B 149 -13.432 4.391 -4.538 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.520 3.335 -4.376 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.708 3.634 -4.335 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.166 2.072 -4.308 1.00 0.00 N ATOM 2273 OXT ASN B 149 -14.095 6.355 -2.089 1.00 0.00 O ATOM 0 H ASN B 149 -12.226 3.028 -2.162 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.086 5.653 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.878 5.291 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.698 4.030 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.878 1.347 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.179 1.816 -4.342 1.00 0.00 H new