USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 22 TYR OH : rot 20:sc= 0.0389 USER MOD Set 1.2: A 104 HIS : no HE2:sc= -1.43 K(o=-2.8,f=-12!) USER MOD Set 1.3: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 129 MET CE :methyl -120:sc= -1.45 (180deg=-6.88!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0.415 USER MOD Set 2.2: A 115 THR OG1 : rot -97:sc= 0.457 USER MOD Set 3.1: A 98 ASN : amide:sc= 0 X(o=-0.079,f=-0.079) USER MOD Set 3.2: A 99 THR OG1 : rot 180:sc= -0.0793 USER MOD Set 4.1: A 86 THR OG1 : rot 27:sc= 1.23 USER MOD Set 4.2: A 88 HIS : no HD1:sc= -1.49! C(o=-0.26!,f=-8.1!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ 171:sc= 1.96 (180deg=1.04) USER MOD Set 5.2: A 58 MET CE :methyl 164:sc= 0 (180deg=-0.174) USER MOD Set 5.3: A 60 ASN : amide:sc= -0.503 K(o=1.1,f=-6!) USER MOD Set 5.4: A 67 THR OG1 : rot -152:sc= -1.84! USER MOD Set 5.5: A 118 TYR OH : rot 30:sc= 0 USER MOD Set 5.6: A 140 TYR OH : rot 101:sc= 1.38 USER MOD Set 5.7: A1001 OLA O2 : rot -38:sc= 0.0936! USER MOD Set 6.1: A -6 HIS : no HD1:sc= -1.32 K(o=-2.4,f=-0.22) USER MOD Set 6.2: A -7 HIS : no HD1:sc= -1.04 K(o=-2.4,f=-0.22) USER MOD Set 7.1: A -5 HIS : no HE2:sc= 0.00931! C(o=1.3!,f=-10!) USER MOD Set 7.2: A -8 SER OG : rot -63:sc= 1.27 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ -147:sc= 0.185 (180deg=0.00161) USER MOD Single : A 2 THR OG1 : rot -101:sc= 1.27 USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.787) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= 1.4 (180deg=1.04) USER MOD Single : A 18 ASN : amide:sc= 0.813 K(o=0.81,f=-2.8) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc=-0.000273 (180deg=-0.0784) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -156:sc= -0.693 (180deg=-2.27) USER MOD Single : A 34 GLN : amide:sc= -0.812 K(o=-0.81,f=-0.045) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.18) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= -0.0171 (180deg=-0.183) USER MOD Single : A 56 TYR OH : rot 79:sc= 0.246 USER MOD Single : A 62 THR OG1 : rot 130:sc= 0.0119 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.153 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0.541 (180deg=-0.0229) USER MOD Single : A 68 HIS : no HD1:sc= -0.53 K(o=-0.53,f=-5!) USER MOD Single : A 69 HIS : no HE2:sc= -0.474 K(o=1.8,f=-9.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 85 SER OG : rot -27:sc= 0.663 USER MOD Single : A 87 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.054) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 0.962 (180deg=0.647) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.584) USER MOD Single : A -11 MET CE :methyl -138:sc= -0.126 (180deg=-0.818) USER MOD Single : A -11 MET N :NH3+ -167:sc=-0.00889 (180deg=-0.185) USER MOD Single : A 101 THR OG1 : rot -37:sc= 0.244 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00033 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -145:sc= -2.85 (180deg=-7.66!) USER MOD Single : A 128 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.794) USER MOD Single : A 130 SER OG : rot -159:sc= -2.63! USER MOD Single : A 132 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0635) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 136 THR OG1 : rot 24:sc= 1.26 USER MOD Single : A 137 SER OG : rot 150:sc= 0.26 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.992) USER MOD Single : A 143 GLN : amide:sc= -6.93! C(o=-6.9!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 12.863 -29.826 0.186 1.00 13.25 N ATOM 2 CA MET A -11 11.794 -28.899 0.622 1.00 13.08 C ATOM 3 C MET A -11 10.697 -28.824 -0.427 1.00 12.76 C ATOM 4 O MET A -11 9.680 -29.507 -0.323 1.00 12.82 O ATOM 5 CB MET A -11 12.362 -27.499 0.874 1.00 13.51 C ATOM 6 CG MET A -11 13.338 -27.435 2.035 1.00 13.65 C ATOM 7 SD MET A -11 14.083 -25.805 2.226 1.00 14.00 S ATOM 8 CE MET A -11 14.997 -25.670 0.692 1.00 14.47 C ATOM 0 H1 MET A -11 13.488 -30.038 0.990 1.00 13.25 H new ATOM 0 H2 MET A -11 12.437 -30.708 -0.164 1.00 13.25 H new ATOM 0 H3 MET A -11 13.417 -29.384 -0.575 1.00 13.25 H new ATOM 0 HA MET A -11 11.373 -29.281 1.552 1.00 13.08 H new ATOM 0 HB2 MET A -11 12.863 -27.152 -0.030 1.00 13.51 H new ATOM 0 HB3 MET A -11 11.538 -26.812 1.065 1.00 13.51 H new ATOM 0 HG2 MET A -11 12.820 -27.704 2.956 1.00 13.65 H new ATOM 0 HG3 MET A -11 14.125 -28.174 1.885 1.00 13.65 H new ATOM 0 HE1 MET A -11 15.977 -25.236 0.890 1.00 14.47 H new ATOM 0 HE2 MET A -11 15.120 -26.660 0.253 1.00 14.47 H new ATOM 0 HE3 MET A -11 14.451 -25.031 -0.002 1.00 14.47 H new ATOM 20 N ARG A -10 10.914 -28.006 -1.446 1.00 12.64 N ATOM 21 CA ARG A -10 9.941 -27.835 -2.510 1.00 12.57 C ATOM 22 C ARG A -10 10.567 -28.210 -3.844 1.00 12.08 C ATOM 23 O ARG A -10 11.434 -27.495 -4.356 1.00 12.07 O ATOM 24 CB ARG A -10 9.439 -26.389 -2.558 1.00 13.16 C ATOM 25 CG ARG A -10 8.822 -25.902 -1.255 1.00 13.66 C ATOM 26 CD ARG A -10 8.304 -24.476 -1.379 1.00 14.28 C ATOM 27 NE ARG A -10 9.369 -23.541 -1.738 1.00 14.70 N ATOM 28 CZ ARG A -10 9.173 -22.255 -2.026 1.00 15.36 C ATOM 29 NH1 ARG A -10 7.949 -21.735 -1.988 1.00 15.68 N ATOM 30 NH2 ARG A -10 10.204 -21.487 -2.351 1.00 15.82 N ATOM 0 H ARG A -10 11.761 -27.448 -1.557 1.00 12.64 H new ATOM 0 HA ARG A -10 9.091 -28.488 -2.312 1.00 12.57 H new ATOM 0 HB2 ARG A -10 10.271 -25.735 -2.820 1.00 13.16 H new ATOM 0 HB3 ARG A -10 8.700 -26.299 -3.354 1.00 13.16 H new ATOM 0 HG2 ARG A -10 8.004 -26.563 -0.970 1.00 13.66 H new ATOM 0 HG3 ARG A -10 9.565 -25.952 -0.459 1.00 13.66 H new ATOM 0 HD2 ARG A -10 7.518 -24.439 -2.133 1.00 14.28 H new ATOM 0 HD3 ARG A -10 7.854 -24.169 -0.435 1.00 14.28 H new ATOM 0 HE ARG A -10 10.325 -23.896 -1.770 1.00 14.70 H new ATOM 0 HH11 ARG A -10 7.153 -22.322 -1.737 1.00 15.68 H new ATOM 0 HH12 ARG A -10 7.806 -20.750 -2.210 1.00 15.68 H new ATOM 0 HH21 ARG A -10 11.144 -21.881 -2.380 1.00 15.82 H new ATOM 0 HH22 ARG A -10 10.057 -20.502 -2.572 1.00 15.82 H new ATOM 44 N GLY A -9 10.145 -29.346 -4.384 1.00 11.88 N ATOM 45 CA GLY A -9 10.640 -29.793 -5.671 1.00 11.61 C ATOM 46 C GLY A -9 10.266 -28.830 -6.775 1.00 11.09 C ATOM 47 O GLY A -9 11.091 -28.508 -7.632 1.00 10.90 O ATOM 0 H GLY A -9 9.464 -29.969 -3.950 1.00 11.88 H new ATOM 0 HA2 GLY A -9 11.724 -29.896 -5.629 1.00 11.61 H new ATOM 0 HA3 GLY A -9 10.235 -30.780 -5.895 1.00 11.61 H new ATOM 51 N SER A -8 9.017 -28.375 -6.738 1.00 11.06 N ATOM 52 CA SER A -8 8.514 -27.383 -7.676 1.00 10.81 C ATOM 53 C SER A -8 8.642 -27.855 -9.119 1.00 10.32 C ATOM 54 O SER A -8 9.114 -27.121 -9.986 1.00 10.27 O ATOM 55 CB SER A -8 9.238 -26.050 -7.472 1.00 11.27 C ATOM 56 OG SER A -8 9.007 -25.549 -6.164 1.00 11.68 O ATOM 0 H SER A -8 8.326 -28.686 -6.055 1.00 11.06 H new ATOM 0 HA SER A -8 7.452 -27.241 -7.477 1.00 10.81 H new ATOM 0 HB2 SER A -8 10.308 -26.183 -7.632 1.00 11.27 H new ATOM 0 HB3 SER A -8 8.893 -25.326 -8.210 1.00 11.27 H new ATOM 0 HG SER A -8 8.051 -25.370 -6.046 1.00 11.68 H new ATOM 62 N HIS A -7 8.210 -29.086 -9.375 1.00 10.19 N ATOM 63 CA HIS A -7 8.190 -29.604 -10.737 1.00 9.96 C ATOM 64 C HIS A -7 7.119 -28.876 -11.551 1.00 9.39 C ATOM 65 O HIS A -7 7.258 -28.705 -12.760 1.00 9.36 O ATOM 66 CB HIS A -7 7.993 -31.133 -10.764 1.00 10.47 C ATOM 67 CG HIS A -7 6.812 -31.649 -9.987 1.00 10.82 C ATOM 68 ND1 HIS A -7 6.919 -32.174 -8.716 1.00 11.40 N ATOM 69 CD2 HIS A -7 5.506 -31.748 -10.321 1.00 10.91 C ATOM 70 CE1 HIS A -7 5.729 -32.575 -8.306 1.00 11.79 C ATOM 71 NE2 HIS A -7 4.857 -32.325 -9.260 1.00 11.52 N ATOM 0 H HIS A -7 7.873 -29.737 -8.665 1.00 10.19 H new ATOM 0 HA HIS A -7 9.160 -29.413 -11.196 1.00 9.96 H new ATOM 0 HB2 HIS A -7 7.889 -31.450 -11.802 1.00 10.47 H new ATOM 0 HB3 HIS A -7 8.895 -31.605 -10.375 1.00 10.47 H new ATOM 0 HD2 HIS A -7 5.057 -31.431 -11.251 1.00 10.91 H new ATOM 0 HE1 HIS A -7 5.509 -33.030 -7.352 1.00 11.79 H new ATOM 0 HE2 HIS A -7 3.858 -32.528 -9.217 1.00 11.52 H new ATOM 80 N HIS A -6 6.057 -28.457 -10.858 1.00 9.18 N ATOM 81 CA HIS A -6 5.048 -27.541 -11.397 1.00 8.88 C ATOM 82 C HIS A -6 3.925 -27.361 -10.383 1.00 8.15 C ATOM 83 O HIS A -6 3.242 -28.316 -10.022 1.00 8.11 O ATOM 84 CB HIS A -6 4.483 -27.987 -12.768 1.00 9.21 C ATOM 85 CG HIS A -6 3.775 -29.313 -12.798 1.00 9.81 C ATOM 86 ND1 HIS A -6 4.382 -30.479 -13.208 1.00 10.31 N ATOM 87 CD2 HIS A -6 2.492 -29.645 -12.505 1.00 10.25 C ATOM 88 CE1 HIS A -6 3.507 -31.468 -13.169 1.00 10.98 C ATOM 89 NE2 HIS A -6 2.355 -30.989 -12.745 1.00 10.96 N ATOM 0 H HIS A -6 5.872 -28.747 -9.898 1.00 9.18 H new ATOM 0 HA HIS A -6 5.544 -26.587 -11.575 1.00 8.88 H new ATOM 0 HB2 HIS A -6 3.790 -27.222 -13.118 1.00 9.21 H new ATOM 0 HB3 HIS A -6 5.306 -28.022 -13.482 1.00 9.21 H new ATOM 0 HD2 HIS A -6 1.722 -28.976 -12.149 1.00 10.25 H new ATOM 0 HE1 HIS A -6 3.703 -32.495 -13.439 1.00 10.98 H new ATOM 0 HE2 HIS A -6 1.500 -31.530 -12.616 1.00 10.96 H new ATOM 98 N HIS A -5 3.780 -26.142 -9.882 1.00 7.83 N ATOM 99 CA HIS A -5 2.699 -25.814 -8.960 1.00 7.37 C ATOM 100 C HIS A -5 2.535 -24.298 -8.847 1.00 7.17 C ATOM 101 O HIS A -5 3.277 -23.625 -8.134 1.00 7.21 O ATOM 102 CB HIS A -5 2.909 -26.464 -7.571 1.00 7.73 C ATOM 103 CG HIS A -5 4.128 -26.011 -6.811 1.00 8.16 C ATOM 104 ND1 HIS A -5 4.078 -25.600 -5.494 1.00 8.81 N ATOM 105 CD2 HIS A -5 5.430 -25.932 -7.172 1.00 8.33 C ATOM 106 CE1 HIS A -5 5.292 -25.287 -5.083 1.00 9.31 C ATOM 107 NE2 HIS A -5 6.129 -25.481 -6.080 1.00 9.05 N ATOM 0 H HIS A -5 4.399 -25.361 -10.099 1.00 7.83 H new ATOM 0 HA HIS A -5 1.777 -26.229 -9.366 1.00 7.37 H new ATOM 0 HB2 HIS A -5 2.029 -26.263 -6.960 1.00 7.73 H new ATOM 0 HB3 HIS A -5 2.967 -27.545 -7.702 1.00 7.73 H new ATOM 0 HD1 HIS A -5 3.232 -25.547 -4.926 1.00 8.81 H new ATOM 0 HD2 HIS A -5 5.842 -26.178 -8.139 1.00 8.33 H new ATOM 0 HE1 HIS A -5 5.554 -24.932 -4.097 1.00 9.31 H new ATOM 116 N HIS A -4 1.578 -23.764 -9.585 1.00 7.32 N ATOM 117 CA HIS A -4 1.299 -22.338 -9.544 1.00 7.52 C ATOM 118 C HIS A -4 0.113 -22.071 -8.626 1.00 6.89 C ATOM 119 O HIS A -4 0.199 -21.263 -7.706 1.00 6.96 O ATOM 120 CB HIS A -4 1.020 -21.800 -10.948 1.00 8.42 C ATOM 121 CG HIS A -4 1.140 -20.310 -11.058 1.00 9.12 C ATOM 122 ND1 HIS A -4 0.060 -19.456 -10.998 1.00 9.86 N ATOM 123 CD2 HIS A -4 2.227 -19.524 -11.234 1.00 9.44 C ATOM 124 CE1 HIS A -4 0.478 -18.214 -11.133 1.00 10.54 C ATOM 125 NE2 HIS A -4 1.789 -18.225 -11.278 1.00 10.32 N ATOM 0 H HIS A -4 0.981 -24.295 -10.219 1.00 7.32 H new ATOM 0 HA HIS A -4 2.175 -21.821 -9.152 1.00 7.52 H new ATOM 0 HB2 HIS A -4 1.713 -22.264 -11.650 1.00 8.42 H new ATOM 0 HB3 HIS A -4 0.015 -22.098 -11.248 1.00 8.42 H new ATOM 0 HD2 HIS A -4 3.250 -19.858 -11.323 1.00 9.44 H new ATOM 0 HE1 HIS A -4 -0.148 -17.334 -11.126 1.00 10.54 H new ATOM 0 HE2 HIS A -4 2.380 -17.403 -11.402 1.00 10.32 H new ATOM 134 N HIS A -3 -0.984 -22.781 -8.864 1.00 6.56 N ATOM 135 CA HIS A -3 -2.177 -22.636 -8.034 1.00 6.26 C ATOM 136 C HIS A -3 -1.966 -23.324 -6.693 1.00 5.53 C ATOM 137 O HIS A -3 -2.556 -22.945 -5.683 1.00 5.80 O ATOM 138 CB HIS A -3 -3.414 -23.201 -8.738 1.00 7.01 C ATOM 139 CG HIS A -3 -3.837 -22.400 -9.930 1.00 7.57 C ATOM 140 ND1 HIS A -3 -4.508 -21.201 -9.832 1.00 8.09 N ATOM 141 CD2 HIS A -3 -3.671 -22.625 -11.255 1.00 8.00 C ATOM 142 CE1 HIS A -3 -4.733 -20.725 -11.040 1.00 8.73 C ATOM 143 NE2 HIS A -3 -4.236 -21.567 -11.924 1.00 8.69 N ATOM 0 H HIS A -3 -1.073 -23.460 -9.620 1.00 6.56 H new ATOM 0 HA HIS A -3 -2.348 -21.573 -7.864 1.00 6.26 H new ATOM 0 HB2 HIS A -3 -3.209 -24.225 -9.051 1.00 7.01 H new ATOM 0 HB3 HIS A -3 -4.239 -23.245 -8.027 1.00 7.01 H new ATOM 0 HD2 HIS A -3 -3.184 -23.479 -11.703 1.00 8.00 H new ATOM 0 HE1 HIS A -3 -5.240 -19.799 -11.268 1.00 8.73 H new ATOM 0 HE2 HIS A -3 -4.266 -21.452 -12.937 1.00 8.69 H new ATOM 152 N HIS A -2 -1.113 -24.336 -6.691 1.00 4.92 N ATOM 153 CA HIS A -2 -0.684 -24.975 -5.455 1.00 4.50 C ATOM 154 C HIS A -2 0.728 -24.526 -5.121 1.00 3.71 C ATOM 155 O HIS A -2 1.497 -25.254 -4.497 1.00 3.80 O ATOM 156 CB HIS A -2 -0.736 -26.501 -5.566 1.00 4.97 C ATOM 157 CG HIS A -2 -2.125 -27.061 -5.574 1.00 5.64 C ATOM 158 ND1 HIS A -2 -2.716 -27.633 -4.466 1.00 6.23 N ATOM 159 CD2 HIS A -2 -3.041 -27.136 -6.567 1.00 6.23 C ATOM 160 CE1 HIS A -2 -3.934 -28.033 -4.781 1.00 7.04 C ATOM 161 NE2 HIS A -2 -4.157 -27.743 -6.049 1.00 7.06 N ATOM 0 H HIS A -2 -0.702 -24.735 -7.535 1.00 4.92 H new ATOM 0 HA HIS A -2 -1.366 -24.677 -4.659 1.00 4.50 H new ATOM 0 HB2 HIS A -2 -0.226 -26.807 -6.480 1.00 4.97 H new ATOM 0 HB3 HIS A -2 -0.184 -26.935 -4.732 1.00 4.97 H new ATOM 0 HD2 HIS A -2 -2.917 -26.783 -7.580 1.00 6.23 H new ATOM 0 HE1 HIS A -2 -4.631 -28.517 -4.113 1.00 7.04 H new ATOM 0 HE2 HIS A -2 -5.018 -27.938 -6.560 1.00 7.06 H new ATOM 170 N GLY A -1 1.069 -23.326 -5.562 1.00 3.50 N ATOM 171 CA GLY A -1 2.379 -22.776 -5.298 1.00 3.30 C ATOM 172 C GLY A -1 2.325 -21.281 -5.113 1.00 2.92 C ATOM 173 O GLY A -1 3.229 -20.558 -5.534 1.00 3.15 O ATOM 0 H GLY A -1 0.454 -22.718 -6.103 1.00 3.50 H new ATOM 0 HA2 GLY A -1 2.795 -23.239 -4.404 1.00 3.30 H new ATOM 0 HA3 GLY A -1 3.049 -23.017 -6.123 1.00 3.30 H new ATOM 177 N SER A 0 1.251 -20.814 -4.499 1.00 2.55 N ATOM 178 CA SER A 0 1.089 -19.401 -4.229 1.00 2.25 C ATOM 179 C SER A 0 1.934 -19.008 -3.026 1.00 1.76 C ATOM 180 O SER A 0 1.837 -19.623 -1.961 1.00 1.80 O ATOM 181 CB SER A 0 -0.383 -19.081 -3.975 1.00 2.52 C ATOM 182 OG SER A 0 -1.196 -19.546 -5.044 1.00 3.11 O ATOM 0 H SER A 0 0.478 -21.397 -4.178 1.00 2.55 H new ATOM 0 HA SER A 0 1.422 -18.829 -5.095 1.00 2.25 H new ATOM 0 HB2 SER A 0 -0.704 -19.543 -3.041 1.00 2.52 H new ATOM 0 HB3 SER A 0 -0.510 -18.005 -3.858 1.00 2.52 H new ATOM 0 HG SER A 0 -2.134 -19.332 -4.859 1.00 3.11 H new ATOM 188 N LYS A 1 2.772 -18.003 -3.211 1.00 1.47 N ATOM 189 CA LYS A 1 3.662 -17.533 -2.161 1.00 1.17 C ATOM 190 C LYS A 1 2.861 -16.835 -1.068 1.00 1.02 C ATOM 191 O LYS A 1 2.596 -15.639 -1.155 1.00 1.17 O ATOM 192 CB LYS A 1 4.689 -16.566 -2.748 1.00 1.31 C ATOM 193 CG LYS A 1 5.456 -17.125 -3.938 1.00 1.65 C ATOM 194 CD LYS A 1 6.266 -16.042 -4.635 1.00 2.03 C ATOM 195 CE LYS A 1 6.872 -16.544 -5.937 1.00 2.38 C ATOM 196 NZ LYS A 1 7.543 -15.453 -6.697 1.00 2.99 N ATOM 0 H LYS A 1 2.856 -17.491 -4.089 1.00 1.47 H new ATOM 0 HA LYS A 1 4.180 -18.388 -1.728 1.00 1.17 H new ATOM 0 HB2 LYS A 1 4.179 -15.652 -3.054 1.00 1.31 H new ATOM 0 HB3 LYS A 1 5.399 -16.289 -1.969 1.00 1.31 H new ATOM 0 HG2 LYS A 1 6.122 -17.920 -3.603 1.00 1.65 H new ATOM 0 HG3 LYS A 1 4.758 -17.571 -4.646 1.00 1.65 H new ATOM 0 HD2 LYS A 1 5.626 -15.183 -4.838 1.00 2.03 H new ATOM 0 HD3 LYS A 1 7.060 -15.698 -3.972 1.00 2.03 H new ATOM 0 HE2 LYS A 1 7.593 -17.332 -5.721 1.00 2.38 H new ATOM 0 HE3 LYS A 1 6.090 -16.988 -6.554 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 7.445 -15.629 -7.717 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 7.101 -14.542 -6.459 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 8.552 -15.425 -6.446 1.00 2.99 H new ATOM 210 N THR A 2 2.504 -17.584 -0.036 1.00 0.86 N ATOM 211 CA THR A 2 1.646 -17.079 1.026 1.00 0.81 C ATOM 212 C THR A 2 2.330 -15.915 1.740 1.00 0.66 C ATOM 213 O THR A 2 3.556 -15.899 1.866 1.00 0.64 O ATOM 214 CB THR A 2 1.332 -18.198 2.037 1.00 0.86 C ATOM 215 OG1 THR A 2 0.908 -19.377 1.335 1.00 0.99 O ATOM 216 CG2 THR A 2 0.245 -17.769 3.009 1.00 0.92 C ATOM 0 H THR A 2 2.798 -18.553 0.089 1.00 0.86 H new ATOM 0 HA THR A 2 0.712 -16.730 0.584 1.00 0.81 H new ATOM 0 HB THR A 2 2.238 -18.409 2.605 1.00 0.86 H new ATOM 0 HG1 THR A 2 -0.068 -19.451 1.379 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.044 -18.579 3.711 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.575 -16.887 3.558 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.665 -17.534 2.457 1.00 0.92 H new ATOM 224 N LEU A 3 1.540 -14.937 2.193 1.00 0.59 N ATOM 225 CA LEU A 3 2.093 -13.752 2.839 1.00 0.50 C ATOM 226 C LEU A 3 2.923 -14.128 4.051 1.00 0.49 C ATOM 227 O LEU A 3 2.425 -14.767 4.982 1.00 0.53 O ATOM 228 CB LEU A 3 0.997 -12.785 3.284 1.00 0.49 C ATOM 229 CG LEU A 3 0.860 -11.500 2.468 1.00 0.35 C ATOM 230 CD1 LEU A 3 -0.016 -10.512 3.208 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.214 -10.877 2.201 1.00 0.49 C ATOM 0 H LEU A 3 0.522 -14.945 2.123 1.00 0.59 H new ATOM 0 HA LEU A 3 2.723 -13.262 2.096 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.043 -13.312 3.256 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.181 -12.513 4.323 1.00 0.49 H new ATOM 0 HG LEU A 3 0.402 -11.752 1.512 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.110 -9.598 2.621 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -1.004 -10.946 3.363 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.434 -10.279 4.173 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.086 -9.964 1.619 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.698 -10.638 3.148 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.834 -11.579 1.644 1.00 0.49 H new ATOM 243 N PRO A 4 4.198 -13.741 4.041 1.00 0.50 N ATOM 244 CA PRO A 4 5.077 -13.915 5.185 1.00 0.54 C ATOM 245 C PRO A 4 4.737 -12.917 6.286 1.00 0.47 C ATOM 246 O PRO A 4 4.424 -11.754 6.014 1.00 0.42 O ATOM 247 CB PRO A 4 6.473 -13.650 4.615 1.00 0.60 C ATOM 248 CG PRO A 4 6.254 -12.788 3.419 1.00 0.61 C ATOM 249 CD PRO A 4 4.875 -13.102 2.900 1.00 0.52 C ATOM 0 HA PRO A 4 4.990 -14.901 5.640 1.00 0.54 H new ATOM 0 HB2 PRO A 4 7.109 -13.152 5.347 1.00 0.60 H new ATOM 0 HB3 PRO A 4 6.970 -14.581 4.343 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.337 -11.734 3.683 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.008 -12.986 2.657 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.354 -12.199 2.582 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.916 -13.767 2.037 1.00 0.52 H new ATOM 257 N ASP A 5 4.789 -13.399 7.527 1.00 0.51 N ATOM 258 CA ASP A 5 4.419 -12.616 8.711 1.00 0.51 C ATOM 259 C ASP A 5 5.123 -11.266 8.765 1.00 0.45 C ATOM 260 O ASP A 5 4.638 -10.336 9.403 1.00 0.44 O ATOM 261 CB ASP A 5 4.740 -13.401 9.987 1.00 0.63 C ATOM 262 CG ASP A 5 6.221 -13.697 10.135 1.00 1.50 C ATOM 263 OD1 ASP A 5 6.918 -12.925 10.823 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.698 -14.704 9.571 1.00 2.19 O ATOM 0 H ASP A 5 5.090 -14.349 7.743 1.00 0.51 H new ATOM 0 HA ASP A 5 3.347 -12.430 8.640 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.399 -12.834 10.853 1.00 0.63 H new ATOM 0 HB3 ASP A 5 4.185 -14.339 9.981 1.00 0.63 H new ATOM 269 N LYS A 6 6.270 -11.168 8.107 1.00 0.45 N ATOM 270 CA LYS A 6 7.046 -9.936 8.085 1.00 0.45 C ATOM 271 C LYS A 6 6.249 -8.760 7.523 1.00 0.38 C ATOM 272 O LYS A 6 6.470 -7.618 7.924 1.00 0.42 O ATOM 273 CB LYS A 6 8.344 -10.126 7.290 1.00 0.56 C ATOM 274 CG LYS A 6 9.388 -10.980 8.004 1.00 1.10 C ATOM 275 CD LYS A 6 9.019 -12.457 8.015 1.00 1.64 C ATOM 276 CE LYS A 6 9.889 -13.246 8.980 1.00 2.01 C ATOM 277 NZ LYS A 6 9.650 -12.844 10.393 1.00 2.53 N ATOM 0 H LYS A 6 6.686 -11.934 7.577 1.00 0.45 H new ATOM 0 HA LYS A 6 7.294 -9.698 9.120 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.107 -10.586 6.331 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.774 -9.147 7.076 1.00 0.56 H new ATOM 0 HG2 LYS A 6 10.354 -10.853 7.515 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.501 -10.629 9.030 1.00 1.10 H new ATOM 0 HD2 LYS A 6 7.971 -12.568 8.295 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.126 -12.866 7.010 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.686 -14.311 8.865 1.00 2.01 H new ATOM 0 HE3 LYS A 6 10.939 -13.093 8.731 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 9.886 -13.636 11.024 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.247 -12.025 10.627 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 8.649 -12.589 10.517 1.00 2.53 H new ATOM 291 N PHE A 7 5.310 -9.018 6.620 1.00 0.36 N ATOM 292 CA PHE A 7 4.541 -7.934 6.024 1.00 0.35 C ATOM 293 C PHE A 7 3.259 -7.672 6.798 1.00 0.32 C ATOM 294 O PHE A 7 2.524 -6.751 6.470 1.00 0.35 O ATOM 295 CB PHE A 7 4.185 -8.245 4.567 1.00 0.39 C ATOM 296 CG PHE A 7 5.362 -8.282 3.639 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.235 -7.209 3.561 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.591 -9.386 2.834 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.313 -7.239 2.699 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.668 -9.422 1.972 1.00 0.54 C ATOM 301 CZ PHE A 7 7.530 -8.347 1.907 1.00 0.57 C ATOM 0 H PHE A 7 5.066 -9.952 6.289 1.00 0.36 H new ATOM 0 HA PHE A 7 5.170 -7.044 6.062 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.675 -9.208 4.527 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.479 -7.495 4.210 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.071 -6.340 4.181 1.00 0.52 H new ATOM 0 HD2 PHE A 7 4.918 -10.229 2.882 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.986 -6.396 2.645 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.835 -10.289 1.350 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.375 -8.373 1.235 1.00 0.57 H new ATOM 311 N LEU A 8 3.007 -8.455 7.837 1.00 0.30 N ATOM 312 CA LEU A 8 1.716 -8.419 8.507 1.00 0.29 C ATOM 313 C LEU A 8 1.735 -7.520 9.735 1.00 0.29 C ATOM 314 O LEU A 8 2.769 -7.346 10.390 1.00 0.33 O ATOM 315 CB LEU A 8 1.285 -9.832 8.880 1.00 0.34 C ATOM 316 CG LEU A 8 1.072 -10.756 7.681 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.714 -12.156 8.136 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.009 -10.196 6.772 1.00 0.35 C ATOM 0 H LEU A 8 3.674 -9.118 8.232 1.00 0.30 H new ATOM 0 HA LEU A 8 0.991 -7.994 7.812 1.00 0.29 H new ATOM 0 HB2 LEU A 8 2.040 -10.270 9.533 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.359 -9.779 9.453 1.00 0.34 H new ATOM 0 HG LEU A 8 2.005 -10.812 7.120 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.567 -12.795 7.265 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.521 -12.557 8.749 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.205 -12.124 8.722 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.151 -10.863 5.922 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.943 -10.111 7.327 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.291 -9.211 6.414 1.00 0.35 H new ATOM 330 N GLY A 9 0.574 -6.957 10.031 1.00 0.32 N ATOM 331 CA GLY A 9 0.431 -6.040 11.135 1.00 0.33 C ATOM 332 C GLY A 9 -0.167 -4.724 10.687 1.00 0.31 C ATOM 333 O GLY A 9 -0.237 -4.445 9.489 1.00 0.52 O ATOM 0 H GLY A 9 -0.288 -7.126 9.512 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.202 -6.487 11.901 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.405 -5.862 11.591 1.00 0.33 H new ATOM 337 N THR A 10 -0.628 -3.932 11.636 1.00 0.34 N ATOM 338 CA THR A 10 -1.113 -2.602 11.342 1.00 0.35 C ATOM 339 C THR A 10 0.031 -1.605 11.478 1.00 0.32 C ATOM 340 O THR A 10 0.681 -1.538 12.519 1.00 0.40 O ATOM 341 CB THR A 10 -2.266 -2.216 12.284 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.326 -3.176 12.171 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.796 -0.831 11.956 1.00 0.99 C ATOM 0 H THR A 10 -0.676 -4.191 12.621 1.00 0.34 H new ATOM 0 HA THR A 10 -1.493 -2.586 10.321 1.00 0.35 H new ATOM 0 HB THR A 10 -1.885 -2.207 13.305 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.058 -2.928 12.774 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.610 -0.582 12.637 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.995 -0.100 12.066 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.163 -0.816 10.930 1.00 0.99 H new ATOM 351 N PHE A 11 0.289 -0.859 10.419 1.00 0.27 N ATOM 352 CA PHE A 11 1.414 0.063 10.385 1.00 0.27 C ATOM 353 C PHE A 11 0.941 1.507 10.251 1.00 0.28 C ATOM 354 O PHE A 11 0.133 1.815 9.370 1.00 0.32 O ATOM 355 CB PHE A 11 2.335 -0.274 9.202 1.00 0.31 C ATOM 356 CG PHE A 11 2.850 -1.687 9.199 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.839 -2.079 10.090 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.346 -2.625 8.312 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.314 -3.376 10.093 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.816 -3.923 8.312 1.00 0.43 C ATOM 361 CZ PHE A 11 3.803 -4.300 9.187 1.00 0.44 C ATOM 0 H PHE A 11 -0.268 -0.873 9.565 1.00 0.27 H new ATOM 0 HA PHE A 11 1.958 -0.042 11.323 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.793 -0.096 8.273 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.184 0.409 9.212 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.242 -1.361 10.789 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.576 -2.337 7.612 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.079 -3.672 10.796 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.405 -4.644 7.621 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.182 -5.311 9.173 1.00 0.44 H new ATOM 371 N LYS A 12 1.434 2.403 11.114 1.00 0.29 N ATOM 372 CA LYS A 12 1.150 3.819 10.936 1.00 0.33 C ATOM 373 C LYS A 12 2.236 4.476 10.086 1.00 0.27 C ATOM 374 O LYS A 12 3.431 4.237 10.283 1.00 0.69 O ATOM 375 CB LYS A 12 1.049 4.545 12.275 1.00 0.48 C ATOM 376 CG LYS A 12 2.366 4.670 13.018 1.00 0.78 C ATOM 377 CD LYS A 12 2.245 5.585 14.219 1.00 1.28 C ATOM 378 CE LYS A 12 1.914 7.020 13.818 1.00 1.72 C ATOM 379 NZ LYS A 12 2.936 7.616 12.911 1.00 2.19 N ATOM 0 H LYS A 12 2.016 2.175 11.920 1.00 0.29 H new ATOM 0 HA LYS A 12 0.188 3.896 10.429 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.645 5.543 12.104 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.336 4.017 12.909 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.696 3.683 13.344 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.130 5.055 12.343 1.00 0.78 H new ATOM 0 HD2 LYS A 12 1.469 5.207 14.885 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.180 5.572 14.779 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.942 7.040 13.325 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.829 7.633 14.715 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 2.786 8.643 12.847 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 3.887 7.428 13.288 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.849 7.193 11.965 1.00 2.19 H new ATOM 393 N LEU A 13 1.812 5.277 9.126 1.00 0.60 N ATOM 394 CA LEU A 13 2.732 6.092 8.346 1.00 0.50 C ATOM 395 C LEU A 13 3.508 7.004 9.289 1.00 0.46 C ATOM 396 O LEU A 13 2.909 7.731 10.080 1.00 0.52 O ATOM 397 CB LEU A 13 1.942 6.920 7.324 1.00 0.52 C ATOM 398 CG LEU A 13 2.708 7.369 6.072 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.753 7.995 5.076 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.806 8.358 6.418 1.00 1.04 C ATOM 0 H LEU A 13 0.832 5.383 8.865 1.00 0.60 H new ATOM 0 HA LEU A 13 3.434 5.455 7.808 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.079 6.336 7.005 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.558 7.808 7.827 1.00 0.52 H new ATOM 0 HG LEU A 13 3.172 6.487 5.631 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.306 8.311 4.191 1.00 1.14 H new ATOM 0 HD12 LEU A 13 0.996 7.265 4.790 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.270 8.860 5.530 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.328 8.655 5.508 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.368 9.238 6.889 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.512 7.892 7.106 1.00 1.04 H new ATOM 412 N GLU A 14 4.828 6.945 9.229 1.00 0.45 N ATOM 413 CA GLU A 14 5.657 7.752 10.111 1.00 0.48 C ATOM 414 C GLU A 14 6.203 8.969 9.367 1.00 0.45 C ATOM 415 O GLU A 14 6.162 10.093 9.873 1.00 0.49 O ATOM 416 CB GLU A 14 6.810 6.917 10.677 1.00 0.55 C ATOM 417 CG GLU A 14 7.551 7.595 11.821 1.00 0.67 C ATOM 418 CD GLU A 14 6.723 7.685 13.092 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.196 7.246 14.161 1.00 2.08 O ATOM 420 OE2 GLU A 14 5.581 8.184 13.025 1.00 1.56 O ATOM 0 H GLU A 14 5.347 6.350 8.583 1.00 0.45 H new ATOM 0 HA GLU A 14 5.039 8.099 10.939 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.418 5.961 11.025 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.517 6.699 9.876 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.468 7.045 12.029 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.844 8.599 11.513 1.00 0.67 H new ATOM 427 N ARG A 15 6.695 8.741 8.156 1.00 0.42 N ATOM 428 CA ARG A 15 7.270 9.802 7.343 1.00 0.44 C ATOM 429 C ARG A 15 7.260 9.395 5.874 1.00 0.37 C ATOM 430 O ARG A 15 6.885 8.271 5.541 1.00 0.38 O ATOM 431 CB ARG A 15 8.706 10.067 7.780 1.00 0.51 C ATOM 432 CG ARG A 15 9.597 8.859 7.587 1.00 0.53 C ATOM 433 CD ARG A 15 11.027 9.135 8.002 1.00 0.77 C ATOM 434 NE ARG A 15 11.134 9.500 9.412 1.00 1.68 N ATOM 435 CZ ARG A 15 12.261 9.426 10.117 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.384 9.014 9.542 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.259 9.770 11.398 1.00 3.36 N ATOM 0 H ARG A 15 6.706 7.822 7.713 1.00 0.42 H new ATOM 0 HA ARG A 15 6.676 10.706 7.473 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.107 10.906 7.212 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.716 10.359 8.830 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.206 8.024 8.168 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.576 8.557 6.540 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.636 8.251 7.811 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.432 9.940 7.389 1.00 0.77 H new ATOM 0 HE ARG A 15 10.294 9.832 9.886 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.386 8.753 8.556 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.245 8.959 10.086 1.00 2.45 H new ATOM 0 HH21 ARG A 15 11.397 10.090 11.839 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.120 9.715 11.942 1.00 3.36 H new ATOM 451 N ASP A 16 7.693 10.291 5.004 1.00 0.38 N ATOM 452 CA ASP A 16 7.764 9.992 3.582 1.00 0.43 C ATOM 453 C ASP A 16 8.909 10.737 2.915 1.00 0.39 C ATOM 454 O ASP A 16 9.487 11.659 3.492 1.00 0.52 O ATOM 455 CB ASP A 16 6.436 10.289 2.873 1.00 0.66 C ATOM 456 CG ASP A 16 5.886 11.681 3.142 1.00 0.68 C ATOM 457 OD1 ASP A 16 4.657 11.796 3.356 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.665 12.655 3.153 1.00 0.72 O ATOM 0 H ASP A 16 8.001 11.230 5.256 1.00 0.38 H new ATOM 0 HA ASP A 16 7.958 8.923 3.490 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.575 10.166 1.799 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.697 9.551 3.185 1.00 0.66 H new ATOM 463 N GLU A 17 9.241 10.313 1.704 1.00 0.36 N ATOM 464 CA GLU A 17 10.384 10.848 0.986 1.00 0.38 C ATOM 465 C GLU A 17 10.112 10.882 -0.519 1.00 0.40 C ATOM 466 O GLU A 17 9.768 9.858 -1.107 1.00 0.83 O ATOM 467 CB GLU A 17 11.607 9.973 1.272 1.00 0.48 C ATOM 468 CG GLU A 17 12.888 10.476 0.642 1.00 1.18 C ATOM 469 CD GLU A 17 14.031 9.497 0.794 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.984 8.414 0.174 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.999 9.818 1.517 1.00 2.13 O ATOM 0 H GLU A 17 8.728 9.593 1.196 1.00 0.36 H new ATOM 0 HA GLU A 17 10.569 11.868 1.322 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.748 9.905 2.351 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.410 8.963 0.912 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.717 10.669 -0.417 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.165 11.426 1.098 1.00 1.18 H new ATOM 478 N ASN A 18 10.249 12.070 -1.120 1.00 0.34 N ATOM 479 CA ASN A 18 10.137 12.251 -2.578 1.00 0.30 C ATOM 480 C ASN A 18 8.691 12.054 -3.047 1.00 0.28 C ATOM 481 O ASN A 18 8.422 11.778 -4.223 1.00 0.27 O ATOM 482 CB ASN A 18 11.083 11.280 -3.306 1.00 0.32 C ATOM 483 CG ASN A 18 11.398 11.699 -4.730 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.456 12.886 -5.043 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.617 10.725 -5.597 1.00 0.66 N ATOM 0 H ASN A 18 10.440 12.934 -0.613 1.00 0.34 H new ATOM 0 HA ASN A 18 10.429 13.272 -2.822 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.014 11.201 -2.744 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.633 10.287 -3.318 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.844 10.947 -6.566 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.559 9.752 -5.296 1.00 0.66 H new ATOM 492 N PHE A 19 7.757 12.239 -2.123 1.00 0.30 N ATOM 493 CA PHE A 19 6.353 11.964 -2.399 1.00 0.31 C ATOM 494 C PHE A 19 5.735 13.073 -3.239 1.00 0.31 C ATOM 495 O PHE A 19 4.908 12.808 -4.111 1.00 0.32 O ATOM 496 CB PHE A 19 5.556 11.766 -1.107 1.00 0.37 C ATOM 497 CG PHE A 19 4.171 11.227 -1.347 1.00 0.36 C ATOM 498 CD1 PHE A 19 3.996 10.033 -2.030 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.050 11.907 -0.898 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.730 9.528 -2.260 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.781 11.404 -1.126 1.00 0.48 C ATOM 502 CZ PHE A 19 1.621 10.213 -1.808 1.00 0.44 C ATOM 0 H PHE A 19 7.945 12.577 -1.179 1.00 0.30 H new ATOM 0 HA PHE A 19 6.309 11.035 -2.967 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.098 11.082 -0.454 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.483 12.718 -0.582 1.00 0.37 H new ATOM 0 HD1 PHE A 19 4.859 9.491 -2.387 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.168 12.839 -0.365 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.609 8.597 -2.794 1.00 0.49 H new ATOM 0 HE2 PHE A 19 0.915 11.943 -0.771 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.631 9.820 -1.987 1.00 0.44 H new ATOM 512 N ASP A 20 6.133 14.314 -2.981 1.00 0.33 N ATOM 513 CA ASP A 20 5.646 15.445 -3.766 1.00 0.37 C ATOM 514 C ASP A 20 6.021 15.270 -5.237 1.00 0.33 C ATOM 515 O ASP A 20 5.176 15.424 -6.120 1.00 0.33 O ATOM 516 CB ASP A 20 6.188 16.774 -3.216 1.00 0.46 C ATOM 517 CG ASP A 20 7.687 16.948 -3.402 1.00 1.08 C ATOM 518 OD1 ASP A 20 8.095 17.889 -4.113 1.00 1.22 O ATOM 519 OD2 ASP A 20 8.461 16.142 -2.842 1.00 2.04 O ATOM 0 H ASP A 20 6.788 14.563 -2.239 1.00 0.33 H new ATOM 0 HA ASP A 20 4.559 15.473 -3.688 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.672 17.598 -3.709 1.00 0.46 H new ATOM 0 HB3 ASP A 20 5.953 16.840 -2.154 1.00 0.46 H new ATOM 524 N GLU A 21 7.280 14.920 -5.489 1.00 0.34 N ATOM 525 CA GLU A 21 7.750 14.643 -6.843 1.00 0.35 C ATOM 526 C GLU A 21 6.904 13.572 -7.512 1.00 0.31 C ATOM 527 O GLU A 21 6.555 13.692 -8.691 1.00 0.34 O ATOM 528 CB GLU A 21 9.208 14.210 -6.831 1.00 0.41 C ATOM 529 CG GLU A 21 10.170 15.342 -6.551 1.00 0.51 C ATOM 530 CD GLU A 21 10.154 16.407 -7.628 1.00 1.14 C ATOM 531 OE1 GLU A 21 9.871 16.073 -8.800 1.00 1.65 O ATOM 532 OE2 GLU A 21 10.449 17.577 -7.313 1.00 1.79 O ATOM 0 H GLU A 21 7.996 14.821 -4.769 1.00 0.34 H new ATOM 0 HA GLU A 21 7.658 15.566 -7.415 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.342 13.434 -6.077 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.454 13.764 -7.795 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.919 15.797 -5.593 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.179 14.940 -6.459 1.00 0.51 H new ATOM 539 N TYR A 22 6.579 12.523 -6.760 1.00 0.29 N ATOM 540 CA TYR A 22 5.704 11.473 -7.264 1.00 0.28 C ATOM 541 C TYR A 22 4.347 12.045 -7.654 1.00 0.30 C ATOM 542 O TYR A 22 3.788 11.679 -8.684 1.00 0.33 O ATOM 543 CB TYR A 22 5.523 10.367 -6.221 1.00 0.30 C ATOM 544 CG TYR A 22 4.567 9.271 -6.656 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.225 9.309 -6.297 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.008 8.199 -7.425 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.351 8.312 -6.692 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.140 7.199 -7.822 1.00 0.44 C ATOM 549 CZ TYR A 22 2.809 7.262 -7.453 1.00 0.50 C ATOM 550 OH TYR A 22 1.942 6.273 -7.860 1.00 0.57 O ATOM 0 H TYR A 22 6.907 12.380 -5.805 1.00 0.29 H new ATOM 0 HA TYR A 22 6.173 11.044 -8.149 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.494 9.924 -6.001 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.158 10.809 -5.294 1.00 0.30 H new ATOM 0 HD1 TYR A 22 2.858 10.131 -5.700 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.046 8.147 -7.717 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.311 8.358 -6.403 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.500 6.373 -8.417 1.00 0.44 H new ATOM 0 HH TYR A 22 1.021 6.605 -7.811 1.00 0.57 H new ATOM 560 N LEU A 23 3.830 12.960 -6.842 1.00 0.28 N ATOM 561 CA LEU A 23 2.517 13.539 -7.088 1.00 0.30 C ATOM 562 C LEU A 23 2.535 14.389 -8.350 1.00 0.34 C ATOM 563 O LEU A 23 1.581 14.389 -9.125 1.00 0.37 O ATOM 564 CB LEU A 23 2.068 14.377 -5.893 1.00 0.30 C ATOM 565 CG LEU A 23 1.808 13.582 -4.614 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.388 14.506 -3.488 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.745 12.527 -4.857 1.00 0.32 C ATOM 0 H LEU A 23 4.300 13.316 -6.009 1.00 0.28 H new ATOM 0 HA LEU A 23 1.806 12.725 -7.228 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.830 15.129 -5.688 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.157 14.911 -6.163 1.00 0.30 H new ATOM 0 HG LEU A 23 2.733 13.084 -4.323 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.207 13.921 -2.586 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.179 15.231 -3.298 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.475 15.031 -3.769 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.570 11.968 -3.938 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.181 13.009 -5.171 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.081 11.845 -5.638 1.00 0.32 H new ATOM 579 N LYS A 24 3.635 15.101 -8.555 1.00 0.34 N ATOM 580 CA LYS A 24 3.819 15.900 -9.759 1.00 0.39 C ATOM 581 C LYS A 24 3.799 15.000 -10.988 1.00 0.40 C ATOM 582 O LYS A 24 3.074 15.251 -11.952 1.00 0.44 O ATOM 583 CB LYS A 24 5.148 16.654 -9.700 1.00 0.41 C ATOM 584 CG LYS A 24 5.247 17.649 -8.554 1.00 0.45 C ATOM 585 CD LYS A 24 6.588 18.372 -8.549 1.00 0.55 C ATOM 586 CE LYS A 24 6.873 19.060 -9.880 1.00 1.35 C ATOM 587 NZ LYS A 24 5.793 20.005 -10.270 1.00 1.88 N ATOM 0 H LYS A 24 4.416 15.141 -7.900 1.00 0.34 H new ATOM 0 HA LYS A 24 3.004 16.621 -9.824 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.960 15.932 -9.611 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.295 17.184 -10.641 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.441 18.378 -8.635 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.111 17.127 -7.607 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.597 19.112 -7.749 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.383 17.659 -8.332 1.00 0.55 H new ATOM 0 HE2 LYS A 24 7.818 19.599 -9.813 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.991 18.306 -10.658 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 6.104 20.570 -11.086 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 4.939 19.470 -10.525 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 5.580 20.637 -9.472 1.00 1.88 H new ATOM 601 N ALA A 25 4.611 13.954 -10.933 1.00 0.40 N ATOM 602 CA ALA A 25 4.686 12.977 -12.012 1.00 0.43 C ATOM 603 C ALA A 25 3.341 12.290 -12.219 1.00 0.43 C ATOM 604 O ALA A 25 2.924 12.046 -13.349 1.00 0.44 O ATOM 605 CB ALA A 25 5.771 11.951 -11.722 1.00 0.43 C ATOM 0 H ALA A 25 5.231 13.759 -10.147 1.00 0.40 H new ATOM 0 HA ALA A 25 4.941 13.503 -12.932 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.815 11.228 -12.537 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.733 12.455 -11.631 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.543 11.434 -10.790 1.00 0.43 H new ATOM 611 N ARG A 26 2.657 12.004 -11.119 1.00 0.43 N ATOM 612 CA ARG A 26 1.385 11.291 -11.162 1.00 0.45 C ATOM 613 C ARG A 26 0.272 12.176 -11.731 1.00 0.47 C ATOM 614 O ARG A 26 -0.830 11.705 -12.001 1.00 0.51 O ATOM 615 CB ARG A 26 1.017 10.788 -9.762 1.00 0.48 C ATOM 616 CG ARG A 26 -0.103 9.754 -9.741 1.00 0.85 C ATOM 617 CD ARG A 26 0.239 8.536 -10.585 1.00 0.72 C ATOM 618 NE ARG A 26 -0.781 7.494 -10.480 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.474 7.014 -11.513 1.00 0.78 C ATOM 620 NH1 ARG A 26 -1.289 7.500 -12.735 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.363 6.048 -11.325 1.00 1.06 N ATOM 0 H ARG A 26 2.964 12.256 -10.180 1.00 0.43 H new ATOM 0 HA ARG A 26 1.495 10.433 -11.826 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.904 10.355 -9.300 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.721 11.639 -9.149 1.00 0.48 H new ATOM 0 HG2 ARG A 26 -0.292 9.443 -8.713 1.00 0.85 H new ATOM 0 HG3 ARG A 26 -1.023 10.207 -10.111 1.00 0.85 H new ATOM 0 HD2 ARG A 26 0.345 8.836 -11.628 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.202 8.134 -10.269 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.975 7.109 -9.556 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -0.612 8.247 -12.890 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.824 7.126 -13.519 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.517 5.672 -10.390 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.893 5.681 -12.116 1.00 1.06 H new ATOM 635 N GLY A 27 0.566 13.457 -11.912 1.00 0.46 N ATOM 636 CA GLY A 27 -0.372 14.341 -12.576 1.00 0.49 C ATOM 637 C GLY A 27 -1.185 15.189 -11.621 1.00 0.50 C ATOM 638 O GLY A 27 -2.331 15.535 -11.915 1.00 0.62 O ATOM 0 H GLY A 27 1.435 13.899 -11.612 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.176 14.996 -13.254 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.050 13.745 -13.187 1.00 0.49 H new ATOM 642 N TYR A 28 -0.609 15.522 -10.477 1.00 0.48 N ATOM 643 CA TYR A 28 -1.268 16.404 -9.524 1.00 0.53 C ATOM 644 C TYR A 28 -0.592 17.769 -9.524 1.00 0.56 C ATOM 645 O TYR A 28 0.592 17.898 -9.199 1.00 0.54 O ATOM 646 CB TYR A 28 -1.258 15.775 -8.131 1.00 0.51 C ATOM 647 CG TYR A 28 -1.963 14.438 -8.097 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.255 13.259 -7.908 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.337 14.355 -8.288 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.893 12.036 -7.914 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.984 13.137 -8.286 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.258 11.981 -8.103 1.00 0.60 C ATOM 653 OH TYR A 28 -3.897 10.765 -8.130 1.00 0.64 O ATOM 0 H TYR A 28 0.312 15.196 -10.185 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.308 16.543 -9.820 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.227 15.648 -7.800 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.738 16.454 -7.426 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.187 13.300 -7.754 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.908 15.259 -8.441 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.327 11.127 -7.772 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.054 13.090 -8.427 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.857 10.903 -8.271 1.00 0.64 H new ATOM 663 N GLY A 29 -1.370 18.776 -9.914 1.00 0.68 N ATOM 664 CA GLY A 29 -0.857 20.119 -10.117 1.00 0.80 C ATOM 665 C GLY A 29 -0.368 20.791 -8.852 1.00 0.88 C ATOM 666 O GLY A 29 0.814 21.100 -8.732 1.00 1.54 O ATOM 0 H GLY A 29 -2.369 18.680 -10.096 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.037 20.079 -10.834 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -1.640 20.732 -10.562 1.00 0.80 H new ATOM 670 N TRP A 30 -1.264 21.036 -7.909 1.00 0.54 N ATOM 671 CA TRP A 30 -0.888 21.727 -6.684 1.00 0.56 C ATOM 672 C TRP A 30 -1.858 21.412 -5.550 1.00 0.54 C ATOM 673 O TRP A 30 -1.456 20.870 -4.522 1.00 0.52 O ATOM 674 CB TRP A 30 -0.829 23.238 -6.931 1.00 0.65 C ATOM 675 CG TRP A 30 -0.413 24.026 -5.728 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.859 24.233 -5.282 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.276 24.709 -4.818 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.836 25.000 -4.143 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.464 25.306 -3.839 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.658 24.871 -4.739 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -0.994 26.055 -2.790 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.183 25.612 -3.702 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.354 26.194 -2.739 1.00 1.18 C ATOM 0 H TRP A 30 -2.247 20.770 -7.966 1.00 0.54 H new ATOM 0 HA TRP A 30 0.099 21.375 -6.385 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.132 23.438 -7.745 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.810 23.583 -7.259 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.752 23.851 -5.754 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.654 25.294 -3.610 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.307 24.424 -5.478 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -0.356 26.508 -2.046 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.253 25.745 -3.633 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -2.797 26.766 -1.937 1.00 1.18 H new ATOM 694 N ILE A 31 -3.133 21.746 -5.746 1.00 0.60 N ATOM 695 CA ILE A 31 -4.161 21.536 -4.727 1.00 0.63 C ATOM 696 C ILE A 31 -4.155 20.108 -4.207 1.00 0.53 C ATOM 697 O ILE A 31 -4.127 19.874 -3.000 1.00 0.51 O ATOM 698 CB ILE A 31 -5.568 21.893 -5.273 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.906 23.341 -4.934 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.643 20.959 -4.725 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.029 23.583 -3.449 1.00 2.16 C ATOM 0 H ILE A 31 -3.481 22.166 -6.608 1.00 0.60 H new ATOM 0 HA ILE A 31 -3.925 22.201 -3.896 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.546 21.769 -6.356 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.134 23.994 -5.341 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.843 23.614 -5.420 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.614 21.243 -5.132 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.415 19.933 -5.013 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.670 21.033 -3.638 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.270 24.631 -3.270 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -6.820 22.954 -3.042 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.085 23.340 -2.961 1.00 2.16 H new ATOM 713 N MET A 32 -4.180 19.163 -5.124 1.00 0.48 N ATOM 714 CA MET A 32 -4.161 17.760 -4.767 1.00 0.43 C ATOM 715 C MET A 32 -2.934 17.413 -3.944 1.00 0.38 C ATOM 716 O MET A 32 -3.028 16.658 -2.985 1.00 0.39 O ATOM 717 CB MET A 32 -4.231 16.879 -6.010 1.00 0.48 C ATOM 718 CG MET A 32 -5.575 16.943 -6.710 1.00 0.55 C ATOM 719 SD MET A 32 -6.957 16.784 -5.564 1.00 0.97 S ATOM 720 CE MET A 32 -6.463 15.318 -4.668 1.00 0.48 C ATOM 0 H MET A 32 -4.214 19.343 -6.127 1.00 0.48 H new ATOM 0 HA MET A 32 -5.043 17.568 -4.156 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.450 17.182 -6.707 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.024 15.847 -5.728 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.658 17.889 -7.245 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.631 16.149 -7.455 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.344 14.838 -4.242 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.966 14.626 -5.348 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.778 15.595 -3.867 1.00 0.48 H new ATOM 730 N ARG A 33 -1.793 17.997 -4.290 1.00 0.39 N ATOM 731 CA ARG A 33 -0.557 17.722 -3.565 1.00 0.41 C ATOM 732 C ARG A 33 -0.682 18.191 -2.122 1.00 0.45 C ATOM 733 O ARG A 33 -0.038 17.653 -1.224 1.00 0.60 O ATOM 734 CB ARG A 33 0.640 18.414 -4.218 1.00 0.49 C ATOM 735 CG ARG A 33 0.728 18.235 -5.724 1.00 0.90 C ATOM 736 CD ARG A 33 2.076 18.699 -6.254 1.00 0.71 C ATOM 737 NE ARG A 33 2.559 19.898 -5.564 1.00 0.77 N ATOM 738 CZ ARG A 33 3.280 20.861 -6.136 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.500 20.850 -7.445 1.00 1.87 N ATOM 740 NH2 ARG A 33 3.759 21.855 -5.398 1.00 1.03 N ATOM 0 H ARG A 33 -1.697 18.658 -5.061 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.391 16.645 -3.592 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.594 19.480 -3.994 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.555 18.032 -3.766 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.576 17.186 -5.978 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.070 18.799 -6.207 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.805 17.897 -6.139 1.00 0.71 H new ATOM 0 HD3 ARG A 33 1.994 18.904 -7.321 1.00 0.71 H new ATOM 0 HE ARG A 33 2.327 20.003 -4.576 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.116 20.101 -8.020 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.053 21.591 -7.875 1.00 1.87 H new ATOM 0 HH21 ARG A 33 3.575 21.880 -4.395 1.00 1.03 H new ATOM 0 HH22 ARG A 33 4.311 22.593 -5.834 1.00 1.03 H new ATOM 754 N GLN A 34 -1.536 19.183 -1.909 1.00 0.41 N ATOM 755 CA GLN A 34 -1.750 19.735 -0.583 1.00 0.46 C ATOM 756 C GLN A 34 -2.648 18.820 0.235 1.00 0.47 C ATOM 757 O GLN A 34 -2.654 18.873 1.464 1.00 0.58 O ATOM 758 CB GLN A 34 -2.368 21.133 -0.682 1.00 0.51 C ATOM 759 CG GLN A 34 -1.527 22.120 -1.481 1.00 0.80 C ATOM 760 CD GLN A 34 -0.131 22.311 -0.913 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.822 22.550 -1.653 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.000 22.233 0.401 1.00 1.97 N ATOM 0 H GLN A 34 -2.093 19.622 -2.642 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.785 19.814 -0.082 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.353 21.053 -1.142 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.517 21.527 0.323 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.449 21.771 -2.511 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.036 23.083 -1.508 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -0.813 22.033 0.984 1.00 1.97 H new ATOM 0 HE22 GLN A 34 0.914 22.373 0.832 1.00 1.97 H new ATOM 771 N VAL A 35 -3.422 17.993 -0.449 1.00 0.42 N ATOM 772 CA VAL A 35 -4.266 17.010 0.209 1.00 0.42 C ATOM 773 C VAL A 35 -3.513 15.698 0.405 1.00 0.40 C ATOM 774 O VAL A 35 -3.252 15.274 1.532 1.00 0.44 O ATOM 775 CB VAL A 35 -5.520 16.718 -0.644 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.446 15.737 0.050 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.266 17.993 -0.974 1.00 0.65 C ATOM 0 H VAL A 35 -3.483 17.984 -1.467 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.556 17.421 1.176 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.178 16.266 -1.575 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.318 15.554 -0.578 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.919 14.798 0.222 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.767 16.153 1.005 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.144 17.756 -1.575 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.579 18.481 -0.051 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.613 18.662 -1.534 1.00 0.65 H new ATOM 787 N ILE A 36 -3.186 15.077 -0.722 1.00 0.38 N ATOM 788 CA ILE A 36 -2.604 13.740 -0.785 1.00 0.39 C ATOM 789 C ILE A 36 -1.450 13.494 0.193 1.00 0.46 C ATOM 790 O ILE A 36 -1.471 12.503 0.923 1.00 0.51 O ATOM 791 CB ILE A 36 -2.150 13.433 -2.216 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.265 13.793 -3.206 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.848 11.965 -2.313 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.873 13.666 -4.662 1.00 0.51 C ATOM 0 H ILE A 36 -3.321 15.499 -1.641 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.399 13.061 -0.476 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.263 14.018 -2.458 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.124 13.150 -3.016 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.586 14.817 -3.017 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.523 11.727 -3.326 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -1.057 11.709 -1.608 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.745 11.393 -2.076 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.720 13.939 -5.292 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.035 14.330 -4.872 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.582 12.637 -4.872 1.00 0.51 H new ATOM 806 N LYS A 37 -0.459 14.374 0.242 1.00 0.52 N ATOM 807 CA LYS A 37 0.711 14.097 1.074 1.00 0.67 C ATOM 808 C LYS A 37 0.469 14.469 2.539 1.00 0.66 C ATOM 809 O LYS A 37 1.321 14.233 3.392 1.00 0.79 O ATOM 810 CB LYS A 37 1.964 14.806 0.547 1.00 0.91 C ATOM 811 CG LYS A 37 1.910 16.314 0.639 1.00 0.75 C ATOM 812 CD LYS A 37 3.292 16.923 0.495 1.00 0.94 C ATOM 813 CE LYS A 37 3.241 18.437 0.577 1.00 0.70 C ATOM 814 NZ LYS A 37 4.592 19.024 0.765 1.00 0.97 N ATOM 0 H LYS A 37 -0.436 15.259 -0.265 1.00 0.52 H new ATOM 0 HA LYS A 37 0.880 13.022 1.021 1.00 0.67 H new ATOM 0 HB2 LYS A 37 2.830 14.450 1.105 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.117 14.522 -0.494 1.00 0.91 H new ATOM 0 HG2 LYS A 37 1.255 16.705 -0.139 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.479 16.607 1.596 1.00 0.75 H new ATOM 0 HD2 LYS A 37 3.945 16.537 1.278 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.726 16.623 -0.459 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.795 18.836 -0.334 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.597 18.735 1.404 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.516 20.060 0.816 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.008 18.663 1.647 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 5.200 18.761 -0.037 1.00 0.97 H new ATOM 828 N LEU A 38 -0.697 15.030 2.827 1.00 0.63 N ATOM 829 CA LEU A 38 -1.055 15.393 4.196 1.00 0.70 C ATOM 830 C LEU A 38 -1.894 14.294 4.838 1.00 0.65 C ATOM 831 O LEU A 38 -2.222 14.359 6.022 1.00 0.91 O ATOM 832 CB LEU A 38 -1.825 16.721 4.235 1.00 0.82 C ATOM 833 CG LEU A 38 -0.974 17.997 4.319 1.00 1.08 C ATOM 834 CD1 LEU A 38 -0.165 18.021 5.606 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.057 18.125 3.115 1.00 1.61 C ATOM 0 H LEU A 38 -1.413 15.245 2.133 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.129 15.513 4.759 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.447 16.782 3.342 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.498 16.701 5.092 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.653 18.850 4.320 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.430 18.933 5.645 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -0.840 17.992 6.461 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.496 17.155 5.636 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.533 19.037 3.202 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.610 17.264 3.073 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.655 18.165 2.205 1.00 1.61 H new ATOM 847 N ALA A 39 -2.245 13.291 4.047 1.00 0.52 N ATOM 848 CA ALA A 39 -3.047 12.181 4.530 1.00 0.53 C ATOM 849 C ALA A 39 -2.186 11.161 5.268 1.00 0.60 C ATOM 850 O ALA A 39 -1.407 10.427 4.653 1.00 1.03 O ATOM 851 CB ALA A 39 -3.781 11.520 3.373 1.00 0.55 C ATOM 0 H ALA A 39 -1.985 13.225 3.063 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.781 12.573 5.235 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.379 10.689 3.748 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.434 12.249 2.892 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.057 11.148 2.648 1.00 0.55 H new ATOM 857 N GLY A 40 -2.339 11.115 6.586 1.00 0.43 N ATOM 858 CA GLY A 40 -1.588 10.178 7.399 1.00 0.46 C ATOM 859 C GLY A 40 -2.218 8.798 7.413 1.00 0.46 C ATOM 860 O GLY A 40 -2.654 8.315 8.461 1.00 0.84 O ATOM 0 H GLY A 40 -2.976 11.716 7.110 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.569 10.106 7.020 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -1.523 10.556 8.419 1.00 0.46 H new ATOM 864 N VAL A 41 -2.307 8.190 6.236 1.00 0.44 N ATOM 865 CA VAL A 41 -2.868 6.857 6.066 1.00 0.45 C ATOM 866 C VAL A 41 -2.226 5.799 6.970 1.00 0.36 C ATOM 867 O VAL A 41 -1.029 5.831 7.257 1.00 0.41 O ATOM 868 CB VAL A 41 -2.765 6.423 4.583 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.363 6.622 4.052 1.00 0.95 C ATOM 870 CG2 VAL A 41 -3.197 4.978 4.386 1.00 1.30 C ATOM 0 H VAL A 41 -1.988 8.614 5.365 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.913 6.923 6.367 1.00 0.45 H new ATOM 0 HB VAL A 41 -3.447 7.059 4.019 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.321 6.309 3.009 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.092 7.675 4.126 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -0.664 6.026 4.638 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -3.110 4.713 3.332 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.558 4.323 4.979 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -4.233 4.861 4.705 1.00 1.30 H new ATOM 880 N THR A 42 -3.061 4.870 7.409 1.00 0.31 N ATOM 881 CA THR A 42 -2.642 3.735 8.207 1.00 0.30 C ATOM 882 C THR A 42 -2.926 2.451 7.429 1.00 0.29 C ATOM 883 O THR A 42 -4.043 2.254 6.944 1.00 0.32 O ATOM 884 CB THR A 42 -3.396 3.710 9.552 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.238 4.969 10.221 1.00 0.40 O ATOM 886 CG2 THR A 42 -2.892 2.590 10.448 1.00 0.45 C ATOM 0 H THR A 42 -4.063 4.886 7.217 1.00 0.31 H new ATOM 0 HA THR A 42 -1.575 3.816 8.415 1.00 0.30 H new ATOM 0 HB THR A 42 -4.451 3.532 9.344 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.720 4.949 11.074 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.444 2.600 11.388 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.040 1.632 9.950 1.00 0.45 H new ATOM 0 HG23 THR A 42 -1.830 2.735 10.649 1.00 0.45 H new ATOM 894 N LYS A 43 -1.924 1.595 7.286 1.00 0.31 N ATOM 895 CA LYS A 43 -2.074 0.377 6.499 1.00 0.35 C ATOM 896 C LYS A 43 -2.218 -0.839 7.405 1.00 0.33 C ATOM 897 O LYS A 43 -1.549 -0.942 8.431 1.00 0.41 O ATOM 898 CB LYS A 43 -0.893 0.204 5.536 1.00 0.50 C ATOM 899 CG LYS A 43 -0.975 1.102 4.308 1.00 0.77 C ATOM 900 CD LYS A 43 0.267 0.980 3.436 1.00 0.53 C ATOM 901 CE LYS A 43 0.056 1.583 2.048 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.433 2.988 2.097 1.00 0.79 N ATOM 0 H LYS A 43 -1.001 1.720 7.703 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.984 0.465 5.906 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.034 0.414 6.069 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.846 -0.836 5.213 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -1.857 0.839 3.724 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -1.098 2.138 4.623 1.00 0.77 H new ATOM 0 HD2 LYS A 43 1.103 1.480 3.925 1.00 0.53 H new ATOM 0 HD3 LYS A 43 0.538 -0.071 3.337 1.00 0.53 H new ATOM 0 HE2 LYS A 43 0.995 1.549 1.496 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.660 0.973 1.497 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.413 3.396 1.141 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.407 3.004 2.460 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 0.180 3.547 2.724 1.00 0.79 H new ATOM 916 N LYS A 44 -3.103 -1.750 7.024 1.00 0.31 N ATOM 917 CA LYS A 44 -3.411 -2.919 7.842 1.00 0.35 C ATOM 918 C LYS A 44 -3.226 -4.207 7.056 1.00 0.34 C ATOM 919 O LYS A 44 -4.045 -4.534 6.202 1.00 0.47 O ATOM 920 CB LYS A 44 -4.857 -2.854 8.340 1.00 0.44 C ATOM 921 CG LYS A 44 -5.142 -1.713 9.302 1.00 0.90 C ATOM 922 CD LYS A 44 -6.632 -1.594 9.596 1.00 0.88 C ATOM 923 CE LYS A 44 -7.194 -2.872 10.203 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.664 -2.785 10.408 1.00 1.96 N ATOM 0 H LYS A 44 -3.624 -1.703 6.148 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.723 -2.915 8.687 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.520 -2.761 7.480 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.101 -3.796 8.831 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.598 -1.875 10.232 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.777 -0.778 8.878 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.802 -0.762 10.279 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.167 -1.364 8.674 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.967 -3.715 9.550 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.705 -3.067 11.157 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.938 -3.384 11.213 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.929 -1.799 10.604 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -9.154 -3.111 9.551 1.00 1.96 H new ATOM 938 N PHE A 45 -2.165 -4.945 7.355 1.00 0.29 N ATOM 939 CA PHE A 45 -1.944 -6.242 6.736 1.00 0.29 C ATOM 940 C PHE A 45 -2.351 -7.342 7.700 1.00 0.30 C ATOM 941 O PHE A 45 -1.795 -7.452 8.791 1.00 0.37 O ATOM 942 CB PHE A 45 -0.478 -6.429 6.353 1.00 0.32 C ATOM 943 CG PHE A 45 0.009 -5.518 5.264 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.297 -4.191 5.538 1.00 0.40 C ATOM 945 CD2 PHE A 45 0.160 -5.981 3.967 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.730 -3.344 4.537 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.595 -5.137 2.964 1.00 0.52 C ATOM 948 CZ PHE A 45 0.934 -3.849 3.249 1.00 0.54 C ATOM 0 H PHE A 45 -1.445 -4.667 8.022 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.548 -6.292 5.830 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.137 -6.274 7.239 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.328 -7.462 6.038 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.182 -3.815 6.544 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.065 -7.012 3.738 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.910 -2.300 4.747 1.00 0.49 H new ATOM 0 HE2 PHE A 45 0.667 -5.500 1.949 1.00 0.52 H new ATOM 0 HZ PHE A 45 1.359 -3.219 2.482 1.00 0.54 H new ATOM 958 N ARG A 46 -3.329 -8.141 7.314 1.00 0.31 N ATOM 959 CA ARG A 46 -3.795 -9.228 8.162 1.00 0.33 C ATOM 960 C ARG A 46 -4.355 -10.371 7.333 1.00 0.31 C ATOM 961 O ARG A 46 -4.489 -10.255 6.121 1.00 0.33 O ATOM 962 CB ARG A 46 -4.871 -8.731 9.132 1.00 0.39 C ATOM 963 CG ARG A 46 -5.972 -7.931 8.459 1.00 0.50 C ATOM 964 CD ARG A 46 -7.248 -7.944 9.280 1.00 0.64 C ATOM 965 NE ARG A 46 -7.915 -9.244 9.214 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.930 -9.608 9.993 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.392 -8.782 10.926 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.483 -10.804 9.842 1.00 3.17 N ATOM 0 H ARG A 46 -3.816 -8.060 6.422 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.937 -9.592 8.727 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.314 -9.587 9.640 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.401 -8.114 9.898 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.641 -6.903 8.315 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.170 -8.343 7.470 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.016 -7.705 10.318 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.923 -7.169 8.917 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.579 -9.917 8.524 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.968 -7.862 11.048 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.171 -9.068 11.520 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.130 -11.443 9.130 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.261 -11.085 10.438 1.00 3.17 H new ATOM 982 N ASN A 47 -4.657 -11.472 8.007 1.00 0.33 N ATOM 983 CA ASN A 47 -5.358 -12.595 7.387 1.00 0.37 C ATOM 984 C ASN A 47 -6.703 -12.123 6.845 1.00 0.39 C ATOM 985 O ASN A 47 -7.209 -11.084 7.280 1.00 0.54 O ATOM 986 CB ASN A 47 -5.551 -13.734 8.390 1.00 0.50 C ATOM 987 CG ASN A 47 -4.279 -14.526 8.623 1.00 0.92 C ATOM 988 OD1 ASN A 47 -4.022 -15.520 7.944 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.477 -14.099 9.585 1.00 1.44 N ATOM 0 H ASN A 47 -4.427 -11.615 8.990 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.756 -12.975 6.562 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.898 -13.324 9.338 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.331 -14.404 8.028 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.610 -14.598 9.786 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.725 -13.271 10.126 1.00 1.44 H new ATOM 996 N ALA A 48 -7.289 -12.867 5.908 1.00 0.36 N ATOM 997 CA ALA A 48 -8.496 -12.417 5.218 1.00 0.41 C ATOM 998 C ALA A 48 -9.625 -12.088 6.180 1.00 0.64 C ATOM 999 O ALA A 48 -9.700 -12.646 7.277 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.966 -13.462 4.218 1.00 0.49 C ATOM 0 H ALA A 48 -6.949 -13.781 5.610 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.230 -11.501 4.691 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.866 -13.106 3.716 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.183 -13.637 3.480 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.186 -14.393 4.741 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.488 -11.176 5.762 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.616 -10.749 6.573 1.00 1.18 C ATOM 1008 C ALA A 49 -12.400 -11.946 7.089 1.00 1.17 C ATOM 1009 O ALA A 49 -12.496 -12.171 8.299 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.515 -9.840 5.755 1.00 1.48 C ATOM 0 H ALA A 49 -10.427 -10.713 4.855 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.238 -10.200 7.436 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.361 -9.520 6.364 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.950 -8.966 5.431 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.881 -10.380 4.882 1.00 1.48 H new ATOM 1016 N SER A 50 -12.924 -12.736 6.161 1.00 1.12 N ATOM 1017 CA SER A 50 -13.733 -13.898 6.494 1.00 1.50 C ATOM 1018 C SER A 50 -12.895 -15.102 6.943 1.00 1.66 C ATOM 1019 O SER A 50 -13.365 -16.240 6.888 1.00 2.19 O ATOM 1020 CB SER A 50 -14.574 -14.271 5.279 1.00 1.77 C ATOM 1021 OG SER A 50 -15.508 -13.247 4.969 1.00 2.37 O ATOM 0 H SER A 50 -12.800 -12.589 5.159 1.00 1.12 H new ATOM 0 HA SER A 50 -14.368 -13.632 7.339 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.923 -14.445 4.422 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.103 -15.204 5.472 1.00 1.77 H new ATOM 0 HG SER A 50 -16.034 -13.510 4.185 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.668 -14.854 7.394 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.827 -15.922 7.910 1.00 1.68 C ATOM 1029 C GLY A 51 -10.495 -16.991 6.884 1.00 1.70 C ATOM 1030 O GLY A 51 -10.432 -18.173 7.215 1.00 1.91 O ATOM 0 H GLY A 51 -11.239 -13.929 7.411 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.899 -15.491 8.286 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.328 -16.389 8.758 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.279 -16.584 5.643 1.00 1.54 N ATOM 1035 CA LYS A 52 -9.896 -17.524 4.596 1.00 1.60 C ATOM 1036 C LYS A 52 -8.390 -17.752 4.629 1.00 1.44 C ATOM 1037 O LYS A 52 -7.620 -16.803 4.751 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.326 -17.011 3.215 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.699 -17.503 2.767 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.795 -17.117 3.750 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.166 -17.579 3.277 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.228 -19.052 3.088 1.00 3.17 N ATOM 0 H LYS A 52 -10.361 -15.615 5.335 1.00 1.54 H new ATOM 0 HA LYS A 52 -10.405 -18.471 4.779 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.329 -15.921 3.229 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -9.584 -17.318 2.478 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -11.930 -17.088 1.786 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.677 -18.587 2.657 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.580 -17.555 4.725 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.801 -16.035 3.881 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.920 -17.276 4.003 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.410 -17.083 2.338 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -15.217 -19.343 2.949 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -13.668 -19.319 2.253 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.843 -19.526 3.930 1.00 3.17 H new ATOM 1056 N PRO A 53 -7.955 -19.017 4.551 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.533 -19.368 4.606 1.00 1.40 C ATOM 1058 C PRO A 53 -5.784 -18.967 3.345 1.00 1.15 C ATOM 1059 O PRO A 53 -6.317 -19.078 2.233 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.551 -20.886 4.751 1.00 1.68 C ATOM 1061 CG PRO A 53 -7.817 -21.297 4.093 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.807 -20.209 4.405 1.00 1.76 C ATOM 0 HA PRO A 53 -6.019 -18.851 5.416 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -5.686 -21.343 4.271 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.530 -21.187 5.798 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -7.682 -21.407 3.017 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.161 -22.260 4.471 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -9.538 -20.087 3.606 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -9.365 -20.420 5.317 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.560 -18.479 3.536 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.673 -18.047 2.450 1.00 0.90 C ATOM 1072 C ASP A 54 -4.107 -16.694 1.901 1.00 0.68 C ATOM 1073 O ASP A 54 -3.273 -15.872 1.530 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.576 -19.084 1.323 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.806 -20.322 1.740 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -3.436 -21.372 1.975 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.560 -20.250 1.836 1.00 1.60 O ATOM 0 H ASP A 54 -4.147 -18.370 4.462 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.676 -17.948 2.878 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.580 -19.372 1.011 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -3.091 -18.632 0.458 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.411 -16.493 1.800 1.00 0.63 N ATOM 1083 CA ARG A 55 -5.965 -15.187 1.483 1.00 0.47 C ATOM 1084 C ARG A 55 -5.827 -14.236 2.673 1.00 0.41 C ATOM 1085 O ARG A 55 -5.959 -14.638 3.833 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.431 -15.333 1.074 1.00 0.64 C ATOM 1087 CG ARG A 55 -7.638 -16.381 -0.008 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.077 -16.427 -0.491 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.495 -15.161 -1.084 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.476 -14.899 -2.389 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.034 -15.810 -3.249 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.895 -13.720 -2.831 1.00 4.10 N ATOM 0 H ARG A 55 -6.110 -17.224 1.934 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.407 -14.761 0.649 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.023 -15.599 1.950 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -7.802 -14.372 0.718 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -6.980 -16.167 -0.850 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -7.354 -17.360 0.377 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.188 -17.225 -1.225 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.733 -16.670 0.345 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.824 -14.427 -0.456 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -8.707 -16.715 -2.910 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.021 -15.605 -4.248 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.230 -13.018 -2.171 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -9.882 -13.516 -3.830 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.556 -12.975 2.378 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.336 -11.968 3.402 1.00 0.32 C ATOM 1108 C TYR A 56 -6.207 -10.738 3.154 1.00 0.33 C ATOM 1109 O TYR A 56 -7.008 -10.709 2.223 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.854 -11.576 3.440 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.957 -12.643 4.034 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.425 -13.647 3.239 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.643 -12.642 5.383 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.604 -14.623 3.772 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.822 -13.613 5.924 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.316 -14.598 5.132 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.498 -15.576 5.654 1.00 0.97 O ATOM 0 H TYR A 56 -5.483 -12.622 1.424 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.617 -12.389 4.367 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.519 -11.356 2.426 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.745 -10.659 4.018 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.656 -13.667 2.184 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.046 -11.870 6.022 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.191 -15.395 3.140 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.581 -13.590 6.977 1.00 0.69 H new ATOM 0 HH TYR A 56 0.437 -15.365 5.447 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.049 -9.735 4.005 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.839 -8.511 3.930 1.00 0.34 C ATOM 1129 C ASP A 57 -5.923 -7.312 4.162 1.00 0.29 C ATOM 1130 O ASP A 57 -4.990 -7.394 4.966 1.00 0.32 O ATOM 1131 CB ASP A 57 -7.948 -8.552 4.989 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.974 -7.446 4.834 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.625 -6.272 5.085 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.119 -7.733 4.436 1.00 0.99 O ATOM 0 H ASP A 57 -5.371 -9.745 4.767 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.300 -8.422 2.946 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.454 -9.516 4.937 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.497 -8.482 5.979 1.00 0.43 H new ATOM 1139 N MET A 58 -6.168 -6.211 3.456 1.00 0.27 N ATOM 1140 CA MET A 58 -5.313 -5.030 3.576 1.00 0.26 C ATOM 1141 C MET A 58 -6.132 -3.754 3.446 1.00 0.27 C ATOM 1142 O MET A 58 -6.831 -3.548 2.451 1.00 0.33 O ATOM 1143 CB MET A 58 -4.206 -5.039 2.517 1.00 0.30 C ATOM 1144 CG MET A 58 -2.839 -4.639 3.061 1.00 0.51 C ATOM 1145 SD MET A 58 -2.793 -2.974 3.760 1.00 0.98 S ATOM 1146 CE MET A 58 -2.550 -1.974 2.298 1.00 0.36 C ATOM 0 H MET A 58 -6.943 -6.110 2.801 1.00 0.27 H new ATOM 0 HA MET A 58 -4.853 -5.059 4.564 1.00 0.26 H new ATOM 0 HB2 MET A 58 -4.138 -6.037 2.083 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.480 -4.359 1.711 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.540 -5.354 3.828 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.105 -4.707 2.258 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.783 -0.934 2.526 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.512 -2.051 1.973 1.00 0.36 H new ATOM 0 HE3 MET A 58 -3.206 -2.327 1.502 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.036 -2.897 4.444 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.780 -1.646 4.441 1.00 0.32 C ATOM 1158 C GLU A 59 -5.860 -0.437 4.404 1.00 0.31 C ATOM 1159 O GLU A 59 -4.718 -0.491 4.860 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.688 -1.545 5.664 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.811 -2.561 5.687 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.777 -2.320 6.827 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.603 -2.934 7.897 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.715 -1.517 6.659 1.00 1.11 O ATOM 0 H GLU A 59 -5.452 -3.041 5.268 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.387 -1.649 3.535 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -7.084 -1.667 6.563 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.117 -0.544 5.702 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.351 -2.524 4.741 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.391 -3.563 5.775 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.378 0.652 3.852 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.681 1.929 3.846 1.00 0.42 C ATOM 1173 C ASN A 60 -6.586 2.995 4.436 1.00 0.46 C ATOM 1174 O ASN A 60 -7.384 3.609 3.724 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.277 2.349 2.428 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.256 1.429 1.793 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.054 1.611 1.962 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.731 0.451 1.031 1.00 1.02 N ATOM 0 H ASN A 60 -7.291 0.674 3.397 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.774 1.819 4.440 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.167 2.380 1.799 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.873 3.361 2.459 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.089 -0.185 0.559 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.738 0.336 0.918 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.480 3.199 5.735 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.288 4.202 6.416 1.00 0.39 C ATOM 1187 C LEU A 61 -6.607 5.554 6.324 1.00 0.39 C ATOM 1188 O LEU A 61 -5.551 5.760 6.911 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.506 3.829 7.888 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.560 2.747 8.161 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.887 3.108 7.506 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -8.080 1.382 7.688 1.00 1.66 C ATOM 0 H LEU A 61 -5.843 2.685 6.343 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.262 4.247 5.928 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.555 3.494 8.302 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.790 4.730 8.432 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.713 2.694 9.239 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -10.619 2.327 7.713 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -10.245 4.056 7.907 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.748 3.199 6.429 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -8.847 0.635 7.894 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -7.886 1.416 6.616 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -7.164 1.116 8.215 1.00 1.66 H new ATOM 1204 N THR A 62 -7.195 6.475 5.580 1.00 0.34 N ATOM 1205 CA THR A 62 -6.566 7.755 5.358 1.00 0.35 C ATOM 1206 C THR A 62 -7.420 8.860 5.953 1.00 0.37 C ATOM 1207 O THR A 62 -8.356 8.589 6.707 1.00 0.43 O ATOM 1208 CB THR A 62 -6.314 8.015 3.853 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.493 8.501 3.216 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.883 6.743 3.151 1.00 0.45 C ATOM 0 H THR A 62 -8.100 6.357 5.125 1.00 0.34 H new ATOM 0 HA THR A 62 -5.595 7.744 5.854 1.00 0.35 H new ATOM 0 HB THR A 62 -5.523 8.762 3.783 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.278 9.307 2.702 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.712 6.950 2.095 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.962 6.373 3.602 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.664 5.990 3.251 1.00 0.45 H new ATOM 1218 N THR A 63 -7.114 10.093 5.618 1.00 0.42 N ATOM 1219 CA THR A 63 -7.817 11.220 6.185 1.00 0.46 C ATOM 1220 C THR A 63 -8.921 11.701 5.249 1.00 0.46 C ATOM 1221 O THR A 63 -9.970 12.166 5.693 1.00 0.54 O ATOM 1222 CB THR A 63 -6.822 12.352 6.474 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.204 12.780 5.255 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.748 11.862 7.432 1.00 0.50 C ATOM 0 H THR A 63 -6.381 10.341 4.954 1.00 0.42 H new ATOM 0 HA THR A 63 -8.286 10.909 7.118 1.00 0.46 H new ATOM 0 HB THR A 63 -7.359 13.187 6.923 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.696 13.602 5.417 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.044 12.670 7.634 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.211 11.543 8.366 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.217 11.022 6.985 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.690 11.554 3.950 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.636 12.017 2.942 1.00 0.50 C ATOM 1234 C LYS A 64 -10.248 10.842 2.192 1.00 0.49 C ATOM 1235 O LYS A 64 -11.025 11.023 1.258 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.930 12.946 1.952 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.391 14.223 2.576 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.512 15.152 3.015 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.976 16.486 3.511 1.00 1.64 C ATOM 1240 NZ LYS A 64 -8.109 16.333 4.711 1.00 2.24 N ATOM 0 H LYS A 64 -7.852 11.116 3.569 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.434 12.561 3.447 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.106 12.405 1.487 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.627 13.209 1.157 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.768 13.973 3.435 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.752 14.737 1.858 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.192 15.321 2.180 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.091 14.675 3.806 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -8.409 16.967 2.714 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.811 17.145 3.750 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -7.850 17.272 5.074 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -8.624 15.808 5.446 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -7.247 15.812 4.452 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.884 9.637 2.599 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.335 8.435 1.925 1.00 0.49 C ATOM 1256 C LYS A 65 -10.345 7.257 2.889 1.00 0.52 C ATOM 1257 O LYS A 65 -10.418 7.440 4.107 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.422 8.144 0.722 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.145 8.161 -0.618 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.332 7.202 -0.635 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.133 7.322 -1.923 1.00 1.36 C ATOM 1262 NZ LYS A 65 -13.401 6.543 -1.866 1.00 1.82 N ATOM 0 H LYS A 65 -9.273 9.467 3.398 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.353 8.587 1.567 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.619 8.881 0.700 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.955 7.169 0.860 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.492 9.172 -0.831 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -9.448 7.890 -1.411 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -10.975 6.178 -0.523 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.980 7.409 0.217 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.360 8.371 -2.112 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.529 6.971 -2.760 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -14.119 7.005 -2.460 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -13.232 5.578 -2.215 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.739 6.502 -0.883 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.193 6.074 2.319 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.295 4.798 3.025 1.00 0.39 C ATOM 1278 C ASP A 66 -10.543 3.705 2.005 1.00 0.43 C ATOM 1279 O ASP A 66 -11.436 3.815 1.164 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.401 4.773 4.098 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.810 4.792 3.536 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.455 3.722 3.477 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.274 5.878 3.127 1.00 2.12 O ATOM 0 H ASP A 66 -9.990 5.966 1.325 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.356 4.641 3.557 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.278 3.880 4.711 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.273 5.632 4.757 1.00 0.57 H new ATOM 1288 N THR A 67 -9.715 2.685 2.032 1.00 0.35 N ATOM 1289 CA THR A 67 -9.873 1.568 1.122 1.00 0.32 C ATOM 1290 C THR A 67 -9.752 0.264 1.886 1.00 0.26 C ATOM 1291 O THR A 67 -9.075 0.203 2.920 1.00 0.30 O ATOM 1292 CB THR A 67 -8.830 1.597 -0.018 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.507 1.464 0.515 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.925 2.894 -0.807 1.00 0.56 C ATOM 0 H THR A 67 -8.925 2.604 2.673 1.00 0.35 H new ATOM 0 HA THR A 67 -10.862 1.649 0.671 1.00 0.32 H new ATOM 0 HB THR A 67 -9.040 0.761 -0.685 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.868 1.908 -0.081 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.181 2.891 -1.604 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.921 2.984 -1.241 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.741 3.738 -0.143 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.396 -0.773 1.392 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.401 -2.050 2.069 1.00 0.23 C ATOM 1304 C HIS A 68 -10.285 -3.172 1.054 1.00 0.22 C ATOM 1305 O HIS A 68 -11.274 -3.571 0.441 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.683 -2.215 2.900 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.726 -3.460 3.745 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.698 -3.694 4.695 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.917 -4.544 3.771 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.482 -4.867 5.263 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.408 -5.398 4.718 1.00 1.95 N ATOM 0 H HIS A 68 -10.925 -0.754 0.520 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.547 -2.092 2.745 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.793 -1.347 3.550 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.539 -2.220 2.226 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.044 -4.705 3.156 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.083 -5.314 6.041 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.006 -6.303 4.963 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.074 -3.672 0.882 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.853 -4.839 0.049 1.00 0.26 C ATOM 1322 C HIS A 69 -9.360 -6.057 0.802 1.00 0.29 C ATOM 1323 O HIS A 69 -8.601 -6.734 1.495 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.371 -5.015 -0.283 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.739 -3.837 -0.956 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.409 -2.995 -1.814 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.469 -3.378 -0.904 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.578 -2.079 -2.266 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.389 -2.286 -1.730 1.00 0.39 N ATOM 0 H HIS A 69 -8.230 -3.288 1.308 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.387 -4.715 -0.893 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.828 -5.225 0.639 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.257 -5.888 -0.926 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.396 -3.069 -2.061 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.663 -3.795 -0.318 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -6.827 -1.290 -2.960 1.00 0.37 H new ATOM 1338 N LYS A 70 -10.654 -6.291 0.702 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.310 -7.306 1.493 1.00 0.37 C ATOM 1340 C LYS A 70 -11.164 -8.697 0.891 1.00 0.31 C ATOM 1341 O LYS A 70 -11.735 -9.004 -0.160 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.781 -6.928 1.667 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.449 -6.431 0.390 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.787 -5.779 0.686 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.613 -4.422 1.353 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.903 -3.865 1.841 1.00 2.30 N ATOM 0 H LYS A 70 -11.275 -5.784 0.072 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.825 -7.349 2.468 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.327 -7.796 2.036 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.859 -6.154 2.430 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.796 -5.716 -0.110 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.592 -7.265 -0.296 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.348 -5.660 -0.241 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.375 -6.430 1.333 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.921 -4.517 2.190 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.164 -3.726 0.645 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.735 -2.941 2.288 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.556 -3.749 1.040 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.321 -4.515 2.537 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.372 -9.520 1.577 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.207 -10.935 1.245 1.00 0.37 C ATOM 1362 C ASP A 71 -9.572 -11.114 -0.135 1.00 0.33 C ATOM 1363 O ASP A 71 -10.245 -11.462 -1.114 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.559 -11.653 1.319 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.424 -13.149 1.483 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.722 -13.664 2.577 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -10.988 -13.817 0.518 1.00 2.07 O ATOM 0 H ASP A 71 -9.823 -9.222 2.384 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.531 -11.380 1.976 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.132 -11.252 2.155 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.126 -11.442 0.413 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.272 -10.870 -0.203 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.517 -10.997 -1.443 1.00 0.30 C ATOM 1374 C TRP A 72 -6.431 -12.050 -1.293 1.00 0.31 C ATOM 1375 O TRP A 72 -6.021 -12.372 -0.182 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.876 -9.657 -1.818 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.989 -9.086 -0.747 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.360 -8.210 0.226 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.592 -9.344 -0.536 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.288 -7.909 1.027 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.193 -8.594 0.582 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.635 -10.138 -1.174 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.890 -8.614 1.065 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.344 -10.144 -0.678 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.989 -9.392 0.425 1.00 0.43 C ATOM 0 H TRP A 72 -7.711 -10.579 0.597 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.206 -11.298 -2.232 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.292 -9.787 -2.729 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.664 -8.939 -2.045 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.355 -7.809 0.350 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.306 -7.276 1.826 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.898 -10.734 -2.036 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.606 -8.026 1.925 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.595 -10.751 -1.165 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.971 -9.426 0.783 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.966 -12.591 -2.403 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.853 -13.518 -2.379 1.00 0.50 C ATOM 1398 C ALA A 73 -3.703 -12.976 -3.209 1.00 0.48 C ATOM 1399 O ALA A 73 -3.918 -12.229 -4.162 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.300 -14.866 -2.921 1.00 0.55 C ATOM 0 H ALA A 73 -6.342 -12.404 -3.332 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.512 -13.641 -1.351 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.461 -15.562 -2.902 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.109 -15.256 -2.304 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.650 -14.748 -3.946 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.481 -13.302 -2.832 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.357 -13.029 -3.707 1.00 0.67 C ATOM 1408 C LEU A 74 -1.486 -13.864 -4.980 1.00 0.57 C ATOM 1409 O LEU A 74 -1.976 -14.993 -4.960 1.00 0.56 O ATOM 1410 CB LEU A 74 0.017 -13.230 -3.020 1.00 0.95 C ATOM 1411 CG LEU A 74 0.157 -14.351 -1.970 1.00 0.68 C ATOM 1412 CD1 LEU A 74 -0.324 -13.890 -0.598 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.573 -15.611 -2.399 1.00 1.71 C ATOM 0 H LEU A 74 -2.244 -13.747 -1.945 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.391 -11.971 -3.968 1.00 0.67 H new ATOM 0 HB2 LEU A 74 0.755 -13.413 -3.801 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.288 -12.290 -2.540 1.00 0.95 H new ATOM 0 HG LEU A 74 1.218 -14.589 -1.894 1.00 0.68 H new ATOM 0 HD11 LEU A 74 -0.212 -14.703 0.119 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.269 -13.035 -0.273 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -1.373 -13.602 -0.658 1.00 1.28 H new ATOM 0 HD21 LEU A 74 -0.453 -16.379 -1.635 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.633 -15.391 -2.529 1.00 1.71 H new ATOM 0 HD23 LEU A 74 -0.159 -15.969 -3.342 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.073 -13.278 -6.081 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.307 -13.865 -7.382 1.00 0.56 C ATOM 1427 C GLY A 75 -2.721 -13.604 -7.874 1.00 0.51 C ATOM 1428 O GLY A 75 -3.103 -14.047 -8.960 1.00 0.59 O ATOM 0 H GLY A 75 -0.571 -12.391 -6.102 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.592 -13.459 -8.098 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.132 -14.940 -7.332 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.497 -12.868 -7.085 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.891 -12.618 -7.412 1.00 0.40 C ATOM 1434 C GLU A 76 -5.090 -11.180 -7.893 1.00 0.36 C ATOM 1435 O GLU A 76 -4.335 -10.272 -7.535 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.785 -12.920 -6.203 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.277 -12.835 -6.483 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.708 -13.750 -7.611 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.580 -13.350 -8.787 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.165 -14.876 -7.329 1.00 1.59 O ATOM 0 H GLU A 76 -3.182 -12.436 -6.216 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.178 -13.284 -8.226 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.554 -13.920 -5.837 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.539 -12.223 -5.402 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.828 -13.093 -5.579 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.539 -11.807 -6.733 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.118 -11.005 -8.705 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.473 -9.720 -9.280 1.00 0.43 C ATOM 1449 C GLU A 77 -7.931 -9.429 -8.945 1.00 0.44 C ATOM 1450 O GLU A 77 -8.838 -10.074 -9.477 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.286 -9.771 -10.798 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.735 -8.514 -11.524 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.989 -8.768 -12.994 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -6.056 -8.573 -13.801 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -8.116 -9.167 -13.351 1.00 0.90 O ATOM 0 H GLU A 77 -6.739 -11.763 -8.987 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.836 -8.934 -8.874 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.233 -9.947 -11.017 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.840 -10.623 -11.193 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.644 -8.133 -11.060 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.974 -7.741 -11.416 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.157 -8.477 -8.065 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.498 -8.207 -7.573 1.00 0.41 C ATOM 1464 C PHE A 78 -9.928 -6.791 -7.914 1.00 0.42 C ATOM 1465 O PHE A 78 -9.094 -5.916 -8.142 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.558 -8.433 -6.058 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.565 -7.619 -5.270 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.306 -8.121 -4.985 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -8.893 -6.349 -4.826 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.392 -7.373 -4.272 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -7.984 -5.594 -4.111 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.740 -6.123 -3.807 1.00 0.52 C ATOM 0 H PHE A 78 -7.432 -7.875 -7.674 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.188 -8.895 -8.062 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.563 -8.198 -5.707 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.388 -9.490 -5.853 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.037 -9.110 -5.325 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -9.871 -5.944 -5.041 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.405 -7.766 -4.078 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.242 -4.595 -3.790 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.044 -5.557 -3.206 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.233 -6.578 -7.969 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.777 -5.252 -8.179 1.00 0.51 C ATOM 1484 C GLN A 79 -12.032 -4.595 -6.829 1.00 0.50 C ATOM 1485 O GLN A 79 -12.506 -5.246 -5.898 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.070 -5.329 -9.001 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.647 -3.971 -9.379 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.847 -4.083 -10.303 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.950 -5.022 -11.094 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.762 -3.131 -10.212 1.00 1.94 N ATOM 0 H GLN A 79 -11.935 -7.311 -7.870 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.061 -4.649 -8.738 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.876 -5.896 -9.912 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.817 -5.884 -8.433 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.939 -3.440 -8.473 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.874 -3.374 -9.864 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.641 -2.369 -9.544 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.588 -3.159 -10.810 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.719 -3.315 -6.734 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.821 -2.588 -5.475 1.00 0.49 C ATOM 1501 C ASP A 80 -11.752 -1.096 -5.755 1.00 0.52 C ATOM 1502 O ASP A 80 -11.393 -0.686 -6.862 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.685 -2.999 -4.523 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.865 -2.470 -3.109 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -9.856 -2.346 -2.373 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -12.015 -2.164 -2.733 1.00 1.26 O ATOM 0 H ASP A 80 -11.390 -2.752 -7.518 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.771 -2.828 -4.998 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.622 -4.087 -4.491 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.737 -2.637 -4.921 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.079 -0.290 -4.761 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.024 1.151 -4.910 1.00 0.65 C ATOM 1513 C GLU A 81 -10.786 1.671 -4.215 1.00 0.63 C ATOM 1514 O GLU A 81 -10.654 1.578 -2.995 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.272 1.826 -4.347 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.291 3.329 -4.579 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.458 4.006 -3.900 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.383 4.445 -4.612 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.468 4.083 -2.651 1.00 1.81 O ATOM 0 H GLU A 81 -12.385 -0.610 -3.842 1.00 0.53 H new ATOM 0 HA GLU A 81 -11.982 1.388 -5.973 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.156 1.382 -4.805 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.334 1.628 -3.277 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -12.361 3.762 -4.211 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.333 3.527 -5.650 1.00 1.64 H new ATOM 1526 N ALA A 82 -9.883 2.192 -5.010 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.597 2.629 -4.522 1.00 0.67 C ATOM 1528 C ALA A 82 -8.649 4.051 -3.980 1.00 0.60 C ATOM 1529 O ALA A 82 -9.681 4.724 -4.049 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.573 2.500 -5.626 1.00 0.95 C ATOM 0 H ALA A 82 -10.018 2.325 -6.012 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.307 1.990 -3.688 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.600 2.829 -5.260 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.508 1.459 -5.942 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -7.871 3.119 -6.473 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.528 4.500 -3.429 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.418 5.842 -2.867 1.00 0.58 C ATOM 1538 C LEU A 83 -7.591 6.899 -3.944 1.00 0.59 C ATOM 1539 O LEU A 83 -7.873 8.058 -3.654 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.059 6.001 -2.188 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.824 5.049 -1.016 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -4.365 5.066 -0.598 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -6.720 5.435 0.146 1.00 1.34 C ATOM 0 H LEU A 83 -6.673 3.948 -3.359 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.211 5.978 -2.131 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.275 5.845 -2.930 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.962 7.027 -1.832 1.00 0.66 H new ATOM 0 HG LEU A 83 -6.072 4.035 -1.329 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -4.218 4.382 0.238 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -3.743 4.754 -1.437 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -4.085 6.075 -0.295 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -6.549 4.753 0.979 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.492 6.454 0.458 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -7.763 5.375 -0.164 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.439 6.472 -5.187 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.566 7.360 -6.339 1.00 0.67 C ATOM 1557 C ASP A 84 -9.024 7.729 -6.631 1.00 0.69 C ATOM 1558 O ASP A 84 -9.317 8.335 -7.663 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.923 6.734 -7.580 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.489 5.364 -7.914 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.727 4.378 -7.908 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.704 5.267 -8.182 1.00 1.39 O ATOM 0 H ASP A 84 -7.225 5.505 -5.429 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.039 8.280 -6.088 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.068 7.398 -8.432 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.848 6.648 -7.422 1.00 0.70 H new ATOM 1567 N SER A 85 -9.926 7.341 -5.728 1.00 0.67 N ATOM 1568 CA SER A 85 -11.336 7.743 -5.781 1.00 0.74 C ATOM 1569 C SER A 85 -12.124 6.981 -6.851 1.00 0.77 C ATOM 1570 O SER A 85 -13.335 7.169 -6.985 1.00 1.09 O ATOM 1571 CB SER A 85 -11.460 9.261 -5.993 1.00 0.84 C ATOM 1572 OG SER A 85 -12.819 9.673 -6.061 1.00 1.21 O ATOM 0 H SER A 85 -9.701 6.738 -4.937 1.00 0.67 H new ATOM 0 HA SER A 85 -11.776 7.483 -4.818 1.00 0.74 H new ATOM 0 HB2 SER A 85 -10.961 9.784 -5.177 1.00 0.84 H new ATOM 0 HB3 SER A 85 -10.948 9.543 -6.913 1.00 0.84 H new ATOM 0 HG SER A 85 -13.371 8.929 -6.381 1.00 1.21 H new ATOM 1578 N THR A 86 -11.462 6.121 -7.605 1.00 0.67 N ATOM 1579 CA THR A 86 -12.159 5.293 -8.571 1.00 0.67 C ATOM 1580 C THR A 86 -11.957 3.823 -8.247 1.00 0.66 C ATOM 1581 O THR A 86 -11.082 3.469 -7.453 1.00 0.76 O ATOM 1582 CB THR A 86 -11.712 5.582 -10.021 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.284 5.662 -10.120 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.330 6.877 -10.524 1.00 0.93 C ATOM 0 H THR A 86 -10.453 5.979 -7.568 1.00 0.67 H new ATOM 0 HA THR A 86 -13.218 5.539 -8.501 1.00 0.67 H new ATOM 0 HB THR A 86 -12.057 4.754 -10.640 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.876 5.125 -9.409 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.003 7.063 -11.547 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.417 6.795 -10.500 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.014 7.703 -9.886 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.759 2.965 -8.850 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.641 1.546 -8.599 1.00 0.76 C ATOM 1594 C GLN A 87 -12.234 0.826 -9.862 1.00 0.66 C ATOM 1595 O GLN A 87 -12.792 1.048 -10.937 1.00 0.89 O ATOM 1596 CB GLN A 87 -13.922 0.957 -8.012 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.206 1.472 -8.634 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.434 1.012 -7.872 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -17.504 0.827 -8.448 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -16.292 0.836 -6.565 1.00 1.33 N ATOM 0 H GLN A 87 -13.492 3.225 -9.510 1.00 0.68 H new ATOM 0 HA GLN A 87 -11.862 1.404 -7.850 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -13.891 -0.127 -8.124 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -13.944 1.167 -6.943 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.184 2.561 -8.661 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -15.271 1.129 -9.667 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.387 1.000 -6.124 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -17.088 0.537 -6.001 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.244 -0.026 -9.715 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.606 -0.675 -10.840 1.00 0.53 C ATOM 1611 C HIS A 88 -9.995 -1.987 -10.394 1.00 0.49 C ATOM 1612 O HIS A 88 -10.162 -2.382 -9.241 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.534 0.242 -11.434 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.658 0.890 -10.406 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.718 0.199 -9.673 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.614 2.169 -9.964 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.143 1.025 -8.820 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.666 2.222 -8.980 1.00 0.97 N ATOM 0 H HIS A 88 -10.857 -0.290 -8.809 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.351 -0.879 -11.609 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.911 -0.336 -12.116 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.020 1.018 -12.026 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.215 2.992 -10.321 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.373 0.763 -8.110 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.406 3.056 -8.454 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.278 -2.654 -11.285 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.653 -3.911 -10.930 1.00 0.49 C ATOM 1629 C LYS A 89 -7.363 -3.646 -10.167 1.00 0.45 C ATOM 1630 O LYS A 89 -6.695 -2.623 -10.373 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.377 -4.776 -12.168 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.265 -4.245 -13.054 1.00 1.06 C ATOM 1633 CD LYS A 89 -6.726 -5.312 -13.997 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.796 -5.847 -14.936 1.00 1.15 C ATOM 1635 NZ LYS A 89 -7.270 -6.934 -15.800 1.00 1.49 N ATOM 0 H LYS A 89 -9.118 -2.349 -12.245 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.343 -4.465 -10.293 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.120 -5.785 -11.844 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.291 -4.853 -12.756 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.637 -3.402 -13.636 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.454 -3.869 -12.431 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -5.907 -4.895 -14.583 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -6.314 -6.135 -13.413 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -8.639 -6.220 -14.354 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -8.173 -5.036 -15.559 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -8.064 -7.454 -16.225 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.681 -6.525 -16.553 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.696 -7.585 -15.228 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.049 -4.543 -9.260 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.840 -4.461 -8.473 1.00 0.35 C ATOM 1651 C ILE A 90 -5.244 -5.848 -8.302 1.00 0.34 C ATOM 1652 O ILE A 90 -5.954 -6.802 -7.991 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.109 -3.841 -7.088 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.418 -2.348 -7.228 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -4.920 -4.067 -6.172 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.834 -1.681 -5.939 1.00 0.54 C ATOM 0 H ILE A 90 -7.629 -5.355 -9.046 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.138 -3.817 -9.002 1.00 0.35 H new ATOM 0 HB ILE A 90 -6.977 -4.328 -6.644 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.536 -1.841 -7.619 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.212 -2.220 -7.964 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.123 -3.624 -5.197 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.748 -5.137 -6.056 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.034 -3.602 -6.604 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.035 -0.626 -6.124 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.735 -2.160 -5.556 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.033 -1.775 -5.206 1.00 0.54 H new ATOM 1668 N THR A 91 -3.952 -5.963 -8.526 1.00 0.30 N ATOM 1669 CA THR A 91 -3.284 -7.237 -8.399 1.00 0.30 C ATOM 1670 C THR A 91 -2.244 -7.208 -7.288 1.00 0.28 C ATOM 1671 O THR A 91 -1.401 -6.308 -7.226 1.00 0.31 O ATOM 1672 CB THR A 91 -2.621 -7.638 -9.728 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.603 -7.631 -10.769 1.00 0.43 O ATOM 1674 CG2 THR A 91 -1.983 -9.018 -9.630 1.00 0.37 C ATOM 0 H THR A 91 -3.345 -5.189 -8.797 1.00 0.30 H new ATOM 0 HA THR A 91 -4.039 -7.980 -8.142 1.00 0.30 H new ATOM 0 HB THR A 91 -1.835 -6.917 -9.954 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.182 -7.885 -11.617 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.522 -9.274 -10.584 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.222 -9.012 -8.850 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.747 -9.756 -9.386 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.323 -8.202 -6.423 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.343 -8.400 -5.373 1.00 0.33 C ATOM 1684 C PHE A 92 -0.529 -9.623 -5.718 1.00 0.39 C ATOM 1685 O PHE A 92 -1.088 -10.635 -6.122 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.012 -8.596 -4.013 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.214 -7.328 -3.240 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.190 -6.424 -3.625 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.434 -7.034 -2.137 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.382 -5.251 -2.926 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.622 -5.862 -1.434 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.580 -4.992 -1.786 1.00 0.52 C ATOM 0 H PHE A 92 -3.070 -8.896 -6.429 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.710 -7.516 -5.304 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.979 -9.076 -4.162 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.406 -9.279 -3.417 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.808 -6.640 -4.483 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.670 -7.729 -1.822 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.132 -4.541 -3.242 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.988 -5.642 -0.588 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.740 -4.097 -1.203 1.00 0.52 H new ATOM 1702 N ASP A 93 0.776 -9.538 -5.580 1.00 0.37 N ATOM 1703 CA ASP A 93 1.631 -10.659 -5.928 1.00 0.43 C ATOM 1704 C ASP A 93 2.927 -10.600 -5.148 1.00 0.36 C ATOM 1705 O ASP A 93 3.498 -9.526 -4.954 1.00 0.39 O ATOM 1706 CB ASP A 93 1.924 -10.666 -7.430 1.00 0.58 C ATOM 1707 CG ASP A 93 2.710 -11.889 -7.864 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.109 -12.976 -8.001 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.938 -11.773 -8.064 1.00 1.24 O ATOM 0 H ASP A 93 1.268 -8.714 -5.233 1.00 0.37 H new ATOM 0 HA ASP A 93 1.107 -11.579 -5.669 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.984 -10.628 -7.980 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.483 -9.767 -7.692 1.00 0.58 H new ATOM 1714 N LEU A 94 3.379 -11.751 -4.691 1.00 0.42 N ATOM 1715 CA LEU A 94 4.650 -11.835 -4.008 1.00 0.51 C ATOM 1716 C LEU A 94 5.763 -11.864 -5.034 1.00 0.56 C ATOM 1717 O LEU A 94 5.948 -12.855 -5.742 1.00 0.63 O ATOM 1718 CB LEU A 94 4.709 -13.069 -3.107 1.00 0.61 C ATOM 1719 CG LEU A 94 4.612 -12.781 -1.605 1.00 0.64 C ATOM 1720 CD1 LEU A 94 5.827 -12.001 -1.126 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.336 -12.018 -1.290 1.00 1.12 C ATOM 0 H LEU A 94 2.884 -12.638 -4.781 1.00 0.42 H new ATOM 0 HA LEU A 94 4.770 -10.960 -3.369 1.00 0.51 H new ATOM 0 HB2 LEU A 94 3.898 -13.742 -3.385 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.643 -13.597 -3.301 1.00 0.61 H new ATOM 0 HG LEU A 94 4.586 -13.734 -1.077 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.737 -11.808 -0.057 1.00 1.02 H new ATOM 0 HD12 LEU A 94 6.730 -12.582 -1.315 1.00 1.02 H new ATOM 0 HD13 LEU A 94 5.886 -11.054 -1.662 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.284 -11.822 -0.219 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.334 -11.072 -1.832 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.473 -12.611 -1.593 1.00 1.12 H new ATOM 1733 N LYS A 95 6.501 -10.775 -5.099 1.00 0.58 N ATOM 1734 CA LYS A 95 7.518 -10.595 -6.116 1.00 0.66 C ATOM 1735 C LYS A 95 8.799 -11.242 -5.637 1.00 0.69 C ATOM 1736 O LYS A 95 9.365 -12.115 -6.294 1.00 0.78 O ATOM 1737 CB LYS A 95 7.716 -9.098 -6.372 1.00 0.70 C ATOM 1738 CG LYS A 95 8.861 -8.753 -7.311 1.00 0.91 C ATOM 1739 CD LYS A 95 8.945 -7.250 -7.521 1.00 1.61 C ATOM 1740 CE LYS A 95 10.201 -6.848 -8.272 1.00 2.08 C ATOM 1741 NZ LYS A 95 10.249 -5.382 -8.509 1.00 3.03 N ATOM 0 H LYS A 95 6.414 -9.992 -4.451 1.00 0.58 H new ATOM 0 HA LYS A 95 7.216 -11.063 -7.053 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.793 -8.690 -6.784 1.00 0.70 H new ATOM 0 HB3 LYS A 95 7.887 -8.601 -5.417 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.800 -9.121 -6.899 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.716 -9.252 -8.269 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.069 -6.912 -8.074 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.925 -6.748 -6.554 1.00 1.61 H new ATOM 0 HE2 LYS A 95 11.079 -7.155 -7.704 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.239 -7.373 -9.226 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 11.229 -5.094 -8.705 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 9.648 -5.142 -9.323 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 9.904 -4.882 -7.665 1.00 3.03 H new ATOM 1755 N ASP A 96 9.226 -10.819 -4.464 1.00 0.65 N ATOM 1756 CA ASP A 96 10.362 -11.407 -3.789 1.00 0.70 C ATOM 1757 C ASP A 96 9.976 -11.628 -2.338 1.00 0.65 C ATOM 1758 O ASP A 96 8.993 -11.051 -1.870 1.00 0.60 O ATOM 1759 CB ASP A 96 11.584 -10.483 -3.876 1.00 0.76 C ATOM 1760 CG ASP A 96 11.975 -10.156 -5.302 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.882 -8.973 -5.690 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.373 -11.082 -6.042 1.00 1.79 O ATOM 0 H ASP A 96 8.791 -10.053 -3.950 1.00 0.65 H new ATOM 0 HA ASP A 96 10.628 -12.352 -4.263 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.372 -9.557 -3.341 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.427 -10.956 -3.373 1.00 0.76 H new ATOM 1767 N PRO A 97 10.735 -12.449 -1.596 1.00 0.73 N ATOM 1768 CA PRO A 97 10.432 -12.763 -0.192 1.00 0.76 C ATOM 1769 C PRO A 97 10.592 -11.552 0.726 1.00 0.66 C ATOM 1770 O PRO A 97 10.473 -11.663 1.944 1.00 0.73 O ATOM 1771 CB PRO A 97 11.457 -13.849 0.168 1.00 0.91 C ATOM 1772 CG PRO A 97 11.995 -14.331 -1.137 1.00 0.98 C ATOM 1773 CD PRO A 97 11.940 -13.150 -2.055 1.00 0.87 C ATOM 0 HA PRO A 97 9.397 -13.080 -0.065 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.252 -13.447 0.797 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.990 -14.661 0.725 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.016 -14.697 -1.029 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.400 -15.158 -1.525 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.830 -12.527 -1.969 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.862 -13.451 -3.100 1.00 0.87 H new ATOM 1781 N ASN A 98 10.872 -10.402 0.127 1.00 0.57 N ATOM 1782 CA ASN A 98 10.996 -9.155 0.864 1.00 0.55 C ATOM 1783 C ASN A 98 10.275 -8.026 0.128 1.00 0.46 C ATOM 1784 O ASN A 98 10.472 -6.851 0.437 1.00 0.50 O ATOM 1785 CB ASN A 98 12.476 -8.798 1.064 1.00 0.68 C ATOM 1786 CG ASN A 98 13.184 -8.461 -0.239 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.644 -9.349 -0.958 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.300 -7.176 -0.537 1.00 1.91 N ATOM 0 H ASN A 98 11.019 -10.309 -0.878 1.00 0.57 H new ATOM 0 HA ASN A 98 10.532 -9.284 1.842 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.551 -7.949 1.743 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.985 -9.635 1.543 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.784 -6.892 -1.388 1.00 1.91 H new ATOM 0 HD22 ASN A 98 12.905 -6.471 0.085 1.00 1.91 H new ATOM 1795 N THR A 99 9.434 -8.380 -0.847 1.00 0.43 N ATOM 1796 CA THR A 99 8.715 -7.376 -1.626 1.00 0.39 C ATOM 1797 C THR A 99 7.380 -7.905 -2.165 1.00 0.33 C ATOM 1798 O THR A 99 7.337 -8.801 -3.013 1.00 0.37 O ATOM 1799 CB THR A 99 9.575 -6.854 -2.798 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.805 -6.315 -2.293 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.835 -5.779 -3.580 1.00 0.51 C ATOM 0 H THR A 99 9.237 -9.345 -1.112 1.00 0.43 H new ATOM 0 HA THR A 99 8.503 -6.553 -0.943 1.00 0.39 H new ATOM 0 HB THR A 99 9.783 -7.689 -3.467 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.349 -5.986 -3.039 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.462 -5.428 -4.399 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.910 -6.193 -3.982 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.601 -4.944 -2.919 1.00 0.51 H new ATOM 1809 N LEU A 100 6.300 -7.343 -1.642 1.00 0.28 N ATOM 1810 CA LEU A 100 4.945 -7.611 -2.127 1.00 0.26 C ATOM 1811 C LEU A 100 4.590 -6.530 -3.156 1.00 0.27 C ATOM 1812 O LEU A 100 4.918 -5.372 -2.948 1.00 0.34 O ATOM 1813 CB LEU A 100 3.976 -7.545 -0.933 1.00 0.28 C ATOM 1814 CG LEU A 100 2.683 -8.374 -1.002 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.773 -8.003 0.158 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.947 -8.187 -2.319 1.00 1.10 C ATOM 0 H LEU A 100 6.334 -6.684 -0.864 1.00 0.28 H new ATOM 0 HA LEU A 100 4.877 -8.596 -2.589 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.523 -7.854 -0.042 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.696 -6.502 -0.789 1.00 0.28 H new ATOM 0 HG LEU A 100 2.963 -9.425 -0.934 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.858 -8.593 0.105 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.283 -8.207 1.100 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.525 -6.943 0.102 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.041 -8.793 -2.319 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.681 -7.137 -2.441 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.590 -8.497 -3.143 1.00 1.10 H new ATOM 1828 N THR A 101 3.935 -6.873 -4.256 1.00 0.29 N ATOM 1829 CA THR A 101 3.609 -5.866 -5.260 1.00 0.31 C ATOM 1830 C THR A 101 2.109 -5.629 -5.357 1.00 0.30 C ATOM 1831 O THR A 101 1.321 -6.578 -5.389 1.00 0.31 O ATOM 1832 CB THR A 101 4.144 -6.258 -6.647 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.819 -7.625 -6.938 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.644 -6.055 -6.716 1.00 0.41 C ATOM 0 H THR A 101 3.624 -7.819 -4.475 1.00 0.29 H new ATOM 0 HA THR A 101 4.093 -4.944 -4.936 1.00 0.31 H new ATOM 0 HB THR A 101 3.671 -5.617 -7.391 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.893 -8.160 -6.120 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.004 -6.338 -7.705 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.878 -5.007 -6.530 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.130 -6.674 -5.962 1.00 0.41 H new ATOM 1842 N GLU A 102 1.729 -4.361 -5.387 1.00 0.31 N ATOM 1843 CA GLU A 102 0.338 -3.977 -5.591 1.00 0.33 C ATOM 1844 C GLU A 102 0.221 -3.119 -6.843 1.00 0.35 C ATOM 1845 O GLU A 102 0.663 -1.970 -6.863 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.210 -3.200 -4.388 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.660 -2.771 -4.571 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.117 -1.741 -3.558 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.533 -0.640 -3.530 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.100 -1.999 -2.837 1.00 0.98 O ATOM 0 H GLU A 102 2.368 -3.575 -5.272 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.249 -4.888 -5.706 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.129 -3.819 -3.495 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.407 -2.317 -4.221 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.786 -2.364 -5.574 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.302 -3.649 -4.500 1.00 0.56 H new ATOM 1857 N THR A 103 -0.368 -3.674 -7.887 1.00 0.36 N ATOM 1858 CA THR A 103 -0.530 -2.947 -9.130 1.00 0.39 C ATOM 1859 C THR A 103 -1.985 -2.545 -9.340 1.00 0.39 C ATOM 1860 O THR A 103 -2.888 -3.382 -9.320 1.00 0.42 O ATOM 1861 CB THR A 103 -0.033 -3.776 -10.331 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.368 -4.040 -10.184 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.276 -3.048 -11.647 1.00 0.46 C ATOM 0 H THR A 103 -0.741 -4.623 -7.898 1.00 0.36 H new ATOM 0 HA THR A 103 0.076 -2.044 -9.061 1.00 0.39 H new ATOM 0 HB THR A 103 -0.591 -4.712 -10.351 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.683 -4.568 -10.947 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.086 -3.660 -12.473 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.344 -2.866 -11.770 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.256 -2.096 -11.640 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.199 -1.250 -9.510 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.518 -0.712 -9.779 1.00 0.45 C ATOM 1873 C HIS A 104 -3.675 -0.516 -11.281 1.00 0.40 C ATOM 1874 O HIS A 104 -2.859 0.175 -11.899 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.734 0.651 -9.093 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.228 0.773 -7.681 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -2.854 1.982 -7.125 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.067 -0.147 -6.703 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.488 1.795 -5.876 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.605 0.516 -5.592 1.00 1.69 N ATOM 0 H HIS A 104 -1.463 -0.545 -9.465 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.251 -1.418 -9.388 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.251 1.419 -9.697 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.802 0.869 -9.094 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -2.861 2.880 -7.609 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -3.265 -1.206 -6.781 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.148 2.563 -5.197 1.00 1.60 H new ATOM 1889 N ILE A 105 -4.688 -1.140 -11.869 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.004 -0.918 -13.273 1.00 0.52 C ATOM 1891 C ILE A 105 -6.438 -0.441 -13.419 1.00 0.54 C ATOM 1892 O ILE A 105 -7.380 -1.127 -13.008 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.816 -2.185 -14.122 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.375 -2.680 -14.019 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.201 -1.922 -15.577 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.098 -3.872 -14.890 1.00 0.75 C ATOM 0 H ILE A 105 -5.303 -1.802 -11.396 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.311 -0.159 -13.635 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.475 -2.963 -13.737 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.699 -1.871 -14.295 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.159 -2.937 -12.982 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.060 -2.832 -16.161 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.246 -1.616 -15.627 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.571 -1.130 -15.982 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.058 -4.175 -14.772 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.751 -4.695 -14.599 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.284 -3.612 -15.932 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.593 0.747 -13.968 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.912 1.322 -14.185 1.00 0.63 C ATOM 1910 C LYS A 106 -8.720 0.500 -15.182 1.00 0.67 C ATOM 1911 O LYS A 106 -8.335 0.338 -16.334 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.797 2.765 -14.658 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.226 3.692 -13.601 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.232 5.141 -14.053 1.00 1.05 C ATOM 1915 CE LYS A 106 -8.644 5.662 -14.272 1.00 1.47 C ATOM 1916 NZ LYS A 106 -8.654 7.076 -14.723 1.00 1.61 N ATOM 0 H LYS A 106 -5.820 1.338 -14.274 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.440 1.307 -13.232 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.165 2.801 -15.545 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.783 3.124 -14.954 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.806 3.596 -12.683 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.205 3.390 -13.366 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.730 5.756 -13.306 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -6.663 5.235 -14.978 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -9.148 5.042 -15.014 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -9.210 5.574 -13.345 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -9.636 7.390 -14.860 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -8.197 7.673 -14.004 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -8.136 7.158 -15.621 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.838 -0.031 -14.709 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.755 -0.781 -15.557 1.00 0.78 C ATOM 1932 C VAL A 107 -11.354 0.103 -16.650 1.00 0.86 C ATOM 1933 O VAL A 107 -11.875 -0.389 -17.648 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.886 -1.429 -14.751 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.374 -2.624 -13.963 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.489 -0.405 -13.834 1.00 1.11 C ATOM 0 H VAL A 107 -10.134 0.044 -13.736 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.165 -1.572 -16.020 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.651 -1.792 -15.437 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.195 -3.067 -13.399 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.965 -3.365 -14.650 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.595 -2.299 -13.274 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.294 -0.861 -13.258 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.724 -0.030 -13.154 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.887 0.421 -14.423 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.276 1.414 -16.450 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.763 2.372 -17.435 1.00 1.00 C ATOM 1948 C ASP A 108 -10.653 2.748 -18.414 1.00 0.97 C ATOM 1949 O ASP A 108 -10.880 2.849 -19.619 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.300 3.622 -16.741 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.856 4.637 -17.719 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -12.262 5.724 -17.859 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.878 4.341 -18.373 1.00 2.50 O ATOM 0 H ASP A 108 -10.879 1.838 -15.612 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.574 1.906 -17.994 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -13.081 3.335 -16.037 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -11.501 4.082 -16.160 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.453 2.949 -17.888 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.289 3.249 -18.719 1.00 0.92 C ATOM 1960 C ASP A 109 -7.072 2.493 -18.223 1.00 0.84 C ATOM 1961 O ASP A 109 -6.302 2.998 -17.408 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.976 4.751 -18.742 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.736 5.508 -19.811 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -9.401 6.511 -19.476 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.701 5.086 -20.983 1.00 1.94 O ATOM 0 H ASP A 109 -9.257 2.910 -16.888 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.531 2.932 -19.734 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.212 5.179 -17.767 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.906 4.889 -18.900 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.880 1.271 -18.728 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.772 0.400 -18.327 1.00 0.78 C ATOM 1972 C PRO A 110 -4.417 0.892 -18.832 1.00 0.86 C ATOM 1973 O PRO A 110 -3.393 0.231 -18.639 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.136 -0.941 -18.963 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.994 -0.595 -20.121 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.751 0.630 -19.723 1.00 0.83 C ATOM 0 HA PRO A 110 -5.658 0.359 -17.244 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.245 -1.483 -19.280 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.665 -1.582 -18.258 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.392 -0.410 -21.011 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.674 -1.413 -20.361 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.932 1.283 -20.576 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.724 0.380 -19.301 1.00 0.83 H new ATOM 1984 N THR A 111 -4.417 2.046 -19.483 1.00 0.93 N ATOM 1985 CA THR A 111 -3.183 2.687 -19.889 1.00 1.05 C ATOM 1986 C THR A 111 -2.578 3.425 -18.703 1.00 0.94 C ATOM 1987 O THR A 111 -1.360 3.588 -18.605 1.00 0.98 O ATOM 1988 CB THR A 111 -3.413 3.666 -21.056 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.472 4.581 -20.735 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.759 2.907 -22.324 1.00 1.47 C ATOM 0 H THR A 111 -5.262 2.556 -19.740 1.00 0.93 H new ATOM 0 HA THR A 111 -2.495 1.915 -20.233 1.00 1.05 H new ATOM 0 HB THR A 111 -2.493 4.228 -21.220 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.608 5.199 -21.483 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.918 3.613 -23.139 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.940 2.235 -22.581 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.668 2.326 -22.164 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.444 3.856 -17.795 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.008 4.476 -16.556 1.00 0.86 C ATOM 2000 C ASP A 112 -2.889 3.410 -15.481 1.00 0.79 C ATOM 2001 O ASP A 112 -3.884 2.793 -15.088 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.990 5.563 -16.108 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.482 6.365 -14.920 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.708 5.953 -13.763 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.864 7.429 -15.142 1.00 1.40 O ATOM 0 H ASP A 112 -4.457 3.786 -17.897 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.039 4.947 -16.721 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.181 6.239 -16.941 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.942 5.101 -15.848 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.675 3.188 -15.023 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.408 2.177 -14.035 1.00 0.68 C ATOM 2012 C VAL A 113 -0.733 2.800 -12.833 1.00 0.60 C ATOM 2013 O VAL A 113 -0.467 4.000 -12.824 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.524 1.058 -14.597 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -1.349 0.106 -15.440 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.621 1.636 -15.411 1.00 1.23 C ATOM 0 H VAL A 113 -0.850 3.705 -15.328 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.362 1.739 -13.740 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.101 0.502 -13.761 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -0.707 -0.683 -15.832 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -2.134 -0.336 -14.827 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -1.800 0.652 -16.269 1.00 1.60 H new ATOM 0 HG21 VAL A 113 1.236 0.825 -15.801 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.220 2.218 -16.241 1.00 1.23 H new ATOM 0 HG23 VAL A 113 1.230 2.280 -14.776 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.458 1.992 -11.827 1.00 0.45 N ATOM 2027 CA GLU A 114 0.163 2.490 -10.609 1.00 0.47 C ATOM 2028 C GLU A 114 0.572 1.323 -9.724 1.00 0.44 C ATOM 2029 O GLU A 114 -0.270 0.540 -9.301 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.826 3.400 -9.885 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.308 4.026 -8.608 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.303 5.015 -8.055 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.375 4.581 -7.577 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -0.984 6.223 -8.051 1.00 2.10 O ATOM 0 H GLU A 114 -0.653 0.991 -11.826 1.00 0.45 H new ATOM 0 HA GLU A 114 1.059 3.061 -10.853 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.128 4.197 -10.565 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.722 2.824 -9.652 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.113 3.248 -7.870 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.640 4.527 -8.802 1.00 0.96 H new ATOM 2041 N THR A 115 1.855 1.201 -9.439 1.00 0.45 N ATOM 2042 CA THR A 115 2.337 0.051 -8.698 1.00 0.45 C ATOM 2043 C THR A 115 3.085 0.460 -7.436 1.00 0.44 C ATOM 2044 O THR A 115 4.044 1.233 -7.480 1.00 0.51 O ATOM 2045 CB THR A 115 3.240 -0.846 -9.573 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.502 -1.300 -10.718 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.752 -2.054 -8.793 1.00 0.53 C ATOM 0 H THR A 115 2.574 1.874 -9.705 1.00 0.45 H new ATOM 0 HA THR A 115 1.456 -0.519 -8.403 1.00 0.45 H new ATOM 0 HB THR A 115 4.099 -0.253 -9.888 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.150 -2.198 -10.545 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.384 -2.663 -9.439 1.00 0.53 H new ATOM 0 HG22 THR A 115 4.332 -1.714 -7.935 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.907 -2.649 -8.447 1.00 0.53 H new ATOM 2055 N TYR A 116 2.615 -0.061 -6.313 1.00 0.41 N ATOM 2056 CA TYR A 116 3.315 0.076 -5.051 1.00 0.43 C ATOM 2057 C TYR A 116 4.078 -1.214 -4.819 1.00 0.38 C ATOM 2058 O TYR A 116 3.695 -2.254 -5.361 1.00 0.39 O ATOM 2059 CB TYR A 116 2.357 0.273 -3.865 1.00 0.54 C ATOM 2060 CG TYR A 116 1.411 1.455 -3.930 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.374 2.224 -5.082 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.568 1.804 -2.884 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.534 3.306 -5.198 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.281 2.891 -2.990 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.353 3.602 -3.951 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.133 4.722 -4.264 1.00 0.96 O ATOM 0 H TYR A 116 1.743 -0.587 -6.253 1.00 0.41 H new ATOM 0 HA TYR A 116 3.961 0.952 -5.109 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.760 -0.633 -3.759 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.956 0.368 -2.959 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.020 1.967 -5.908 1.00 0.79 H new ATOM 0 HD2 TYR A 116 0.575 1.220 -1.976 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.492 3.910 -6.092 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -0.922 3.113 -2.150 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.709 4.942 -3.503 1.00 0.96 H new ATOM 2076 N GLU A 117 5.127 -1.186 -4.018 1.00 0.37 N ATOM 2077 CA GLU A 117 5.805 -2.401 -3.632 1.00 0.35 C ATOM 2078 C GLU A 117 6.018 -2.337 -2.128 1.00 0.34 C ATOM 2079 O GLU A 117 6.596 -1.374 -1.620 1.00 0.44 O ATOM 2080 CB GLU A 117 7.157 -2.558 -4.346 1.00 0.44 C ATOM 2081 CG GLU A 117 7.078 -2.516 -5.865 1.00 0.92 C ATOM 2082 CD GLU A 117 8.431 -2.718 -6.522 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.850 -3.880 -6.687 1.00 1.27 O ATOM 2084 OE2 GLU A 117 9.084 -1.714 -6.888 1.00 1.18 O ATOM 0 H GLU A 117 5.525 -0.333 -3.624 1.00 0.37 H new ATOM 0 HA GLU A 117 5.199 -3.262 -3.915 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.826 -1.767 -4.008 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.605 -3.505 -4.044 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.390 -3.288 -6.212 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.665 -1.557 -6.178 1.00 0.92 H new ATOM 2091 N TYR A 118 5.507 -3.321 -1.419 1.00 0.29 N ATOM 2092 CA TYR A 118 5.638 -3.369 0.022 1.00 0.29 C ATOM 2093 C TYR A 118 6.932 -4.079 0.385 1.00 0.31 C ATOM 2094 O TYR A 118 7.029 -5.301 0.265 1.00 0.41 O ATOM 2095 CB TYR A 118 4.451 -4.107 0.652 1.00 0.32 C ATOM 2096 CG TYR A 118 3.089 -3.541 0.298 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.625 -2.368 0.876 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.250 -4.198 -0.594 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.384 -1.873 0.578 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.005 -3.700 -0.896 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.581 -2.539 -0.303 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.641 -2.030 -0.593 1.00 0.60 O ATOM 0 H TYR A 118 4.993 -4.105 -1.821 1.00 0.29 H new ATOM 0 HA TYR A 118 5.653 -2.349 0.407 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.486 -5.152 0.344 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.565 -4.091 1.736 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.254 -1.836 1.574 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.582 -5.115 -1.058 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.041 -0.958 1.038 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.366 -4.219 -1.595 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.615 -1.053 -0.516 1.00 0.60 H new ATOM 2112 N ARG A 119 7.930 -3.317 0.799 1.00 0.31 N ATOM 2113 CA ARG A 119 9.212 -3.892 1.171 1.00 0.35 C ATOM 2114 C ARG A 119 9.476 -3.652 2.653 1.00 0.35 C ATOM 2115 O ARG A 119 9.002 -2.671 3.225 1.00 0.42 O ATOM 2116 CB ARG A 119 10.337 -3.304 0.307 1.00 0.46 C ATOM 2117 CG ARG A 119 10.599 -1.824 0.544 1.00 1.14 C ATOM 2118 CD ARG A 119 11.600 -1.263 -0.456 1.00 1.30 C ATOM 2119 NE ARG A 119 12.027 0.088 -0.093 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.217 1.084 -0.961 1.00 2.50 C ATOM 2121 NH1 ARG A 119 12.054 0.889 -2.264 1.00 2.76 N ATOM 2122 NH2 ARG A 119 12.591 2.274 -0.514 1.00 3.41 N ATOM 0 H ARG A 119 7.878 -2.302 0.886 1.00 0.31 H new ATOM 0 HA ARG A 119 9.185 -4.967 0.995 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.255 -3.859 0.499 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.088 -3.453 -0.744 1.00 0.46 H new ATOM 0 HG2 ARG A 119 9.662 -1.272 0.470 1.00 1.14 H new ATOM 0 HG3 ARG A 119 10.975 -1.678 1.557 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.470 -1.918 -0.507 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.153 -1.249 -1.450 1.00 1.30 H new ATOM 0 HE ARG A 119 12.191 0.283 0.895 1.00 1.83 H new ATOM 0 HH11 ARG A 119 11.781 -0.030 -2.612 1.00 2.76 H new ATOM 0 HH12 ARG A 119 12.202 1.658 -2.917 1.00 2.76 H new ATOM 0 HH21 ARG A 119 12.731 2.422 0.485 1.00 3.41 H new ATOM 0 HH22 ARG A 119 12.739 3.042 -1.169 1.00 3.41 H new ATOM 2136 N ARG A 120 10.206 -4.561 3.278 1.00 0.36 N ATOM 2137 CA ARG A 120 10.500 -4.455 4.702 1.00 0.41 C ATOM 2138 C ARG A 120 11.898 -3.911 4.942 1.00 0.46 C ATOM 2139 O ARG A 120 12.857 -4.315 4.282 1.00 0.63 O ATOM 2140 CB ARG A 120 10.355 -5.819 5.383 1.00 0.49 C ATOM 2141 CG ARG A 120 8.919 -6.197 5.694 1.00 1.06 C ATOM 2142 CD ARG A 120 8.353 -5.354 6.827 1.00 0.97 C ATOM 2143 NE ARG A 120 9.058 -5.587 8.087 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.519 -5.400 9.293 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.273 -4.958 9.406 1.00 1.62 N ATOM 2146 NH2 ARG A 120 9.231 -5.654 10.382 1.00 1.96 N ATOM 0 H ARG A 120 10.607 -5.382 2.824 1.00 0.36 H new ATOM 0 HA ARG A 120 9.781 -3.758 5.133 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.792 -6.584 4.741 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.929 -5.815 6.310 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.306 -6.068 4.802 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.870 -7.252 5.964 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.421 -4.299 6.563 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.295 -5.583 6.956 1.00 0.97 H new ATOM 0 HE ARG A 120 10.023 -5.913 8.041 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.724 -4.760 8.569 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.864 -4.816 10.330 1.00 1.62 H new ATOM 0 HH21 ARG A 120 10.190 -5.992 10.297 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.820 -5.511 11.305 1.00 1.96 H new ATOM 2160 N ASP A 121 12.002 -2.988 5.884 1.00 0.49 N ATOM 2161 CA ASP A 121 13.292 -2.461 6.302 1.00 0.59 C ATOM 2162 C ASP A 121 13.358 -2.436 7.819 1.00 0.66 C ATOM 2163 O ASP A 121 12.963 -1.461 8.458 1.00 1.08 O ATOM 2164 CB ASP A 121 13.530 -1.061 5.729 1.00 0.67 C ATOM 2165 CG ASP A 121 14.949 -0.577 5.961 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.859 -1.024 5.228 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.165 0.253 6.867 1.00 0.88 O ATOM 0 H ASP A 121 11.204 -2.586 6.376 1.00 0.49 H new ATOM 0 HA ASP A 121 14.078 -3.111 5.916 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.322 -1.069 4.659 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.830 -0.360 6.185 1.00 0.67 H new ATOM 2172 N GLY A 122 13.817 -3.538 8.392 1.00 0.73 N ATOM 2173 CA GLY A 122 13.863 -3.665 9.832 1.00 0.83 C ATOM 2174 C GLY A 122 12.494 -3.959 10.404 1.00 0.78 C ATOM 2175 O GLY A 122 11.950 -5.045 10.205 1.00 0.92 O ATOM 0 H GLY A 122 14.160 -4.351 7.881 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.553 -4.463 10.107 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.251 -2.744 10.268 1.00 0.83 H new ATOM 2179 N ASP A 123 11.927 -2.983 11.097 1.00 0.70 N ATOM 2180 CA ASP A 123 10.588 -3.119 11.660 1.00 0.78 C ATOM 2181 C ASP A 123 9.605 -2.227 10.921 1.00 0.64 C ATOM 2182 O ASP A 123 8.462 -2.056 11.342 1.00 0.75 O ATOM 2183 CB ASP A 123 10.581 -2.771 13.152 1.00 0.98 C ATOM 2184 CG ASP A 123 11.305 -3.799 13.993 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.706 -4.847 14.307 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.480 -3.558 14.354 1.00 2.31 O ATOM 0 H ASP A 123 12.373 -2.085 11.284 1.00 0.70 H new ATOM 0 HA ASP A 123 10.283 -4.159 11.544 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.047 -1.796 13.296 1.00 0.98 H new ATOM 0 HB3 ASP A 123 9.550 -2.686 13.497 1.00 0.98 H new ATOM 2191 N TYR A 124 10.051 -1.670 9.804 1.00 0.48 N ATOM 2192 CA TYR A 124 9.247 -0.719 9.061 1.00 0.36 C ATOM 2193 C TYR A 124 8.732 -1.319 7.767 1.00 0.33 C ATOM 2194 O TYR A 124 9.442 -2.059 7.081 1.00 0.39 O ATOM 2195 CB TYR A 124 10.058 0.541 8.759 1.00 0.32 C ATOM 2196 CG TYR A 124 10.475 1.300 9.998 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.660 0.996 10.656 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.687 2.326 10.504 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.049 1.692 11.783 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.069 3.024 11.630 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.234 2.682 12.283 1.00 0.56 C ATOM 2202 OH TYR A 124 11.632 3.402 13.385 1.00 0.67 O ATOM 0 H TYR A 124 10.965 -1.862 9.395 1.00 0.48 H new ATOM 0 HA TYR A 124 8.389 -0.458 9.681 1.00 0.36 H new ATOM 0 HB2 TYR A 124 10.949 0.264 8.195 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.468 1.199 8.121 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.288 0.202 10.280 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.762 2.581 10.008 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.986 1.461 12.269 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.458 3.835 11.999 1.00 0.58 H new ATOM 0 HH TYR A 124 10.944 4.063 13.610 1.00 0.67 H new ATOM 2212 N LEU A 125 7.484 -1.012 7.456 1.00 0.30 N ATOM 2213 CA LEU A 125 6.886 -1.359 6.185 1.00 0.30 C ATOM 2214 C LEU A 125 7.090 -0.174 5.252 1.00 0.27 C ATOM 2215 O LEU A 125 6.622 0.926 5.530 1.00 0.31 O ATOM 2216 CB LEU A 125 5.389 -1.670 6.403 1.00 0.36 C ATOM 2217 CG LEU A 125 4.580 -2.201 5.202 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.136 -1.074 4.277 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.375 -3.241 4.432 1.00 0.88 C ATOM 0 H LEU A 125 6.856 -0.512 8.085 1.00 0.30 H new ATOM 0 HA LEU A 125 7.343 -2.245 5.744 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.313 -2.402 7.207 1.00 0.36 H new ATOM 0 HB3 LEU A 125 4.906 -0.759 6.755 1.00 0.36 H new ATOM 0 HG LEU A 125 3.682 -2.674 5.600 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.569 -1.489 3.444 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.509 -0.375 4.830 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.012 -0.550 3.895 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.784 -3.601 3.590 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.298 -2.794 4.063 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.615 -4.076 5.090 1.00 0.88 H new ATOM 2231 N VAL A 126 7.794 -0.380 4.161 1.00 0.29 N ATOM 2232 CA VAL A 126 8.202 0.736 3.332 1.00 0.34 C ATOM 2233 C VAL A 126 7.423 0.749 2.030 1.00 0.36 C ATOM 2234 O VAL A 126 7.416 -0.231 1.282 1.00 0.43 O ATOM 2235 CB VAL A 126 9.715 0.715 3.038 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.125 1.951 2.248 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.513 0.618 4.333 1.00 0.47 C ATOM 0 H VAL A 126 8.094 -1.297 3.829 1.00 0.29 H new ATOM 0 HA VAL A 126 7.983 1.646 3.891 1.00 0.34 H new ATOM 0 HB VAL A 126 9.933 -0.166 2.434 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.196 1.918 2.050 1.00 0.46 H new ATOM 0 HG12 VAL A 126 9.582 1.975 1.303 1.00 0.46 H new ATOM 0 HG13 VAL A 126 9.890 2.846 2.824 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.579 0.605 4.104 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.288 1.478 4.964 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.243 -0.298 4.859 1.00 0.47 H new ATOM 2247 N MET A 127 6.749 1.858 1.786 1.00 0.38 N ATOM 2248 CA MET A 127 5.978 2.043 0.574 1.00 0.46 C ATOM 2249 C MET A 127 6.896 2.409 -0.578 1.00 0.33 C ATOM 2250 O MET A 127 7.644 3.384 -0.497 1.00 0.33 O ATOM 2251 CB MET A 127 4.949 3.154 0.774 1.00 0.65 C ATOM 2252 CG MET A 127 4.027 3.366 -0.415 1.00 0.87 C ATOM 2253 SD MET A 127 2.446 2.534 -0.231 1.00 1.08 S ATOM 2254 CE MET A 127 2.955 0.828 -0.251 1.00 0.66 C ATOM 0 H MET A 127 6.722 2.654 2.423 1.00 0.38 H new ATOM 0 HA MET A 127 5.464 1.110 0.342 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.345 2.922 1.651 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.473 4.086 0.985 1.00 0.65 H new ATOM 0 HG2 MET A 127 3.856 4.434 -0.550 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.519 3.005 -1.318 1.00 0.87 H new ATOM 0 HE1 MET A 127 2.195 0.228 -0.751 1.00 0.66 H new ATOM 0 HE2 MET A 127 3.900 0.737 -0.786 1.00 0.66 H new ATOM 0 HE3 MET A 127 3.081 0.474 0.772 1.00 0.66 H new ATOM 2264 N LYS A 128 6.839 1.633 -1.641 1.00 0.33 N ATOM 2265 CA LYS A 128 7.623 1.903 -2.828 1.00 0.35 C ATOM 2266 C LYS A 128 6.690 2.270 -3.977 1.00 0.35 C ATOM 2267 O LYS A 128 5.922 1.436 -4.446 1.00 0.44 O ATOM 2268 CB LYS A 128 8.452 0.664 -3.176 1.00 0.55 C ATOM 2269 CG LYS A 128 8.960 0.625 -4.607 1.00 0.82 C ATOM 2270 CD LYS A 128 10.065 1.632 -4.848 1.00 0.99 C ATOM 2271 CE LYS A 128 10.551 1.572 -6.284 1.00 1.42 C ATOM 2272 NZ LYS A 128 10.910 0.189 -6.695 1.00 2.20 N ATOM 0 H LYS A 128 6.251 0.802 -1.706 1.00 0.33 H new ATOM 0 HA LYS A 128 8.300 2.739 -2.650 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.305 0.612 -2.500 1.00 0.55 H new ATOM 0 HB3 LYS A 128 7.847 -0.224 -2.995 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.327 -0.376 -4.834 1.00 0.82 H new ATOM 0 HG3 LYS A 128 8.134 0.824 -5.290 1.00 0.82 H new ATOM 0 HD2 LYS A 128 9.703 2.635 -4.625 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.896 1.435 -4.171 1.00 0.99 H new ATOM 0 HE2 LYS A 128 9.775 1.956 -6.945 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.419 2.221 -6.400 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 11.537 0.225 -7.524 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 11.399 -0.290 -5.912 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 10.046 -0.337 -6.937 1.00 2.20 H new ATOM 2286 N MET A 129 6.733 3.520 -4.400 1.00 0.36 N ATOM 2287 CA MET A 129 5.884 3.988 -5.490 1.00 0.41 C ATOM 2288 C MET A 129 6.738 4.690 -6.533 1.00 0.35 C ATOM 2289 O MET A 129 7.534 5.560 -6.194 1.00 0.40 O ATOM 2290 CB MET A 129 4.819 4.954 -4.959 1.00 0.49 C ATOM 2291 CG MET A 129 3.998 4.395 -3.811 1.00 1.02 C ATOM 2292 SD MET A 129 3.122 5.673 -2.885 1.00 1.11 S ATOM 2293 CE MET A 129 1.961 6.267 -4.108 1.00 0.50 C ATOM 0 H MET A 129 7.347 4.234 -4.007 1.00 0.36 H new ATOM 0 HA MET A 129 5.385 3.131 -5.943 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.307 5.872 -4.631 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.148 5.224 -5.775 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.276 3.678 -4.203 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.655 3.849 -3.134 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.133 7.328 -4.288 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.098 5.715 -5.038 1.00 0.50 H new ATOM 0 HE3 MET A 129 0.944 6.120 -3.745 1.00 0.50 H new ATOM 2303 N SER A 130 6.596 4.308 -7.791 1.00 0.34 N ATOM 2304 CA SER A 130 7.374 4.930 -8.850 1.00 0.33 C ATOM 2305 C SER A 130 6.490 5.315 -10.019 1.00 0.33 C ATOM 2306 O SER A 130 5.636 4.541 -10.455 1.00 0.38 O ATOM 2307 CB SER A 130 8.467 3.988 -9.334 1.00 0.39 C ATOM 2308 OG SER A 130 9.070 3.313 -8.246 1.00 1.06 O ATOM 0 H SER A 130 5.956 3.577 -8.103 1.00 0.34 H new ATOM 0 HA SER A 130 7.829 5.831 -8.439 1.00 0.33 H new ATOM 0 HB2 SER A 130 8.045 3.262 -10.029 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.223 4.552 -9.881 1.00 0.39 H new ATOM 0 HG SER A 130 9.954 2.985 -8.514 1.00 1.06 H new ATOM 2314 N TRP A 131 6.702 6.518 -10.512 1.00 0.32 N ATOM 2315 CA TRP A 131 5.989 7.008 -11.678 1.00 0.34 C ATOM 2316 C TRP A 131 6.870 7.964 -12.449 1.00 0.34 C ATOM 2317 O TRP A 131 7.437 8.889 -11.873 1.00 0.33 O ATOM 2318 CB TRP A 131 4.699 7.711 -11.261 1.00 0.36 C ATOM 2319 CG TRP A 131 3.733 7.884 -12.390 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.318 9.056 -12.943 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.071 6.843 -13.112 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.427 8.810 -13.959 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.263 7.457 -14.085 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.083 5.450 -13.027 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.475 6.725 -14.969 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.304 4.724 -13.904 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.508 5.362 -14.864 1.00 0.76 C ATOM 0 H TRP A 131 7.369 7.182 -10.120 1.00 0.32 H new ATOM 0 HA TRP A 131 5.732 6.160 -12.313 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.221 7.138 -10.466 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.943 8.689 -10.847 1.00 0.36 H new ATOM 0 HD1 TRP A 131 3.642 10.037 -12.629 1.00 0.46 H new ATOM 0 HE1 TRP A 131 1.963 9.519 -14.527 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.691 4.949 -12.288 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.861 7.215 -15.710 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.308 3.645 -13.850 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.908 4.765 -15.535 1.00 0.76 H new ATOM 2338 N LYS A 132 6.983 7.728 -13.750 1.00 0.37 N ATOM 2339 CA LYS A 132 7.823 8.538 -14.622 1.00 0.40 C ATOM 2340 C LYS A 132 9.257 8.608 -14.099 1.00 0.39 C ATOM 2341 O LYS A 132 9.907 9.650 -14.164 1.00 0.42 O ATOM 2342 CB LYS A 132 7.240 9.945 -14.777 1.00 0.44 C ATOM 2343 CG LYS A 132 5.887 9.970 -15.471 1.00 0.68 C ATOM 2344 CD LYS A 132 5.333 11.382 -15.547 1.00 1.22 C ATOM 2345 CE LYS A 132 3.976 11.421 -16.234 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.060 11.055 -17.672 1.00 1.96 N ATOM 0 H LYS A 132 6.496 6.971 -14.229 1.00 0.37 H new ATOM 0 HA LYS A 132 7.845 8.061 -15.602 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.142 10.399 -13.791 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.941 10.559 -15.343 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.984 9.560 -16.476 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.187 9.331 -14.932 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.243 11.792 -14.541 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.033 12.018 -16.089 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.295 10.738 -15.727 1.00 1.43 H new ATOM 0 HE3 LYS A 132 3.553 12.421 -16.140 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.136 11.210 -18.124 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 4.777 11.645 -18.139 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.325 10.053 -17.760 1.00 1.96 H new ATOM 2360 N GLY A 133 9.738 7.490 -13.574 1.00 0.40 N ATOM 2361 CA GLY A 133 11.091 7.430 -13.056 1.00 0.42 C ATOM 2362 C GLY A 133 11.210 7.960 -11.636 1.00 0.40 C ATOM 2363 O GLY A 133 12.248 7.794 -10.996 1.00 0.53 O ATOM 0 H GLY A 133 9.213 6.619 -13.497 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.438 6.397 -13.082 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.749 8.004 -13.708 1.00 0.42 H new ATOM 2367 N VAL A 134 10.153 8.591 -11.144 1.00 0.35 N ATOM 2368 CA VAL A 134 10.165 9.160 -9.802 1.00 0.34 C ATOM 2369 C VAL A 134 9.754 8.114 -8.779 1.00 0.36 C ATOM 2370 O VAL A 134 8.590 7.719 -8.725 1.00 0.40 O ATOM 2371 CB VAL A 134 9.209 10.367 -9.669 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.483 11.123 -8.379 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.314 11.291 -10.874 1.00 0.43 C ATOM 0 H VAL A 134 9.278 8.722 -11.652 1.00 0.35 H new ATOM 0 HA VAL A 134 11.185 9.498 -9.619 1.00 0.34 H new ATOM 0 HB VAL A 134 8.188 9.987 -9.635 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.801 11.970 -8.302 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.334 10.458 -7.529 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.511 11.484 -8.381 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.629 12.130 -10.750 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.334 11.665 -10.958 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.054 10.741 -11.778 1.00 0.43 H new ATOM 2383 N SER A 135 10.706 7.649 -7.986 1.00 0.38 N ATOM 2384 CA SER A 135 10.414 6.693 -6.942 1.00 0.42 C ATOM 2385 C SER A 135 10.364 7.360 -5.580 1.00 0.40 C ATOM 2386 O SER A 135 11.294 8.059 -5.170 1.00 0.51 O ATOM 2387 CB SER A 135 11.443 5.573 -6.943 1.00 0.50 C ATOM 2388 OG SER A 135 12.551 5.890 -7.771 1.00 1.14 O ATOM 0 H SER A 135 11.687 7.921 -8.049 1.00 0.38 H new ATOM 0 HA SER A 135 9.431 6.269 -7.145 1.00 0.42 H new ATOM 0 HB2 SER A 135 11.787 5.392 -5.925 1.00 0.50 H new ATOM 0 HB3 SER A 135 10.979 4.650 -7.291 1.00 0.50 H new ATOM 0 HG SER A 135 13.196 5.153 -7.750 1.00 1.14 H new ATOM 2394 N THR A 136 9.269 7.140 -4.891 1.00 0.35 N ATOM 2395 CA THR A 136 9.073 7.680 -3.564 1.00 0.34 C ATOM 2396 C THR A 136 9.010 6.547 -2.551 1.00 0.31 C ATOM 2397 O THR A 136 8.377 5.513 -2.794 1.00 0.34 O ATOM 2398 CB THR A 136 7.787 8.539 -3.487 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.563 8.986 -2.145 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.574 7.762 -3.966 1.00 0.39 C ATOM 0 H THR A 136 8.488 6.581 -5.234 1.00 0.35 H new ATOM 0 HA THR A 136 9.919 8.327 -3.332 1.00 0.34 H new ATOM 0 HB THR A 136 7.930 9.400 -4.140 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.412 8.993 -1.656 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.688 8.393 -3.899 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.724 7.455 -5.001 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.438 6.879 -3.342 1.00 0.39 H new ATOM 2408 N SER A 137 9.697 6.725 -1.436 1.00 0.33 N ATOM 2409 CA SER A 137 9.686 5.740 -0.374 1.00 0.32 C ATOM 2410 C SER A 137 9.032 6.324 0.872 1.00 0.31 C ATOM 2411 O SER A 137 9.590 7.208 1.525 1.00 0.40 O ATOM 2412 CB SER A 137 11.112 5.284 -0.062 1.00 0.39 C ATOM 2413 OG SER A 137 11.790 4.894 -1.247 1.00 0.79 O ATOM 0 H SER A 137 10.271 7.546 -1.244 1.00 0.33 H new ATOM 0 HA SER A 137 9.109 4.875 -0.700 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.658 6.092 0.425 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.086 4.449 0.638 1.00 0.39 H new ATOM 0 HG SER A 137 12.749 5.067 -1.147 1.00 0.79 H new ATOM 2419 N ARG A 138 7.838 5.855 1.181 1.00 0.35 N ATOM 2420 CA ARG A 138 7.138 6.317 2.366 1.00 0.44 C ATOM 2421 C ARG A 138 7.324 5.306 3.483 1.00 0.39 C ATOM 2422 O ARG A 138 7.088 4.114 3.298 1.00 0.43 O ATOM 2423 CB ARG A 138 5.652 6.546 2.077 1.00 0.63 C ATOM 2424 CG ARG A 138 5.398 7.259 0.759 1.00 1.08 C ATOM 2425 CD ARG A 138 3.965 7.749 0.656 1.00 0.88 C ATOM 2426 NE ARG A 138 3.729 8.921 1.500 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.532 9.282 1.953 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.470 8.522 1.714 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.404 10.395 2.672 1.00 1.63 N ATOM 0 H ARG A 138 7.334 5.158 0.632 1.00 0.35 H new ATOM 0 HA ARG A 138 7.558 7.274 2.675 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.139 5.584 2.067 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.217 7.131 2.888 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.080 8.104 0.665 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.612 6.583 -0.068 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.739 7.997 -0.381 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.285 6.948 0.948 1.00 0.88 H new ATOM 0 HE ARG A 138 4.532 9.496 1.756 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.571 7.658 1.181 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.553 8.802 2.063 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.223 10.969 2.874 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.487 10.674 3.021 1.00 1.63 H new ATOM 2443 N TYR A 139 7.751 5.781 4.636 1.00 0.39 N ATOM 2444 CA TYR A 139 8.156 4.899 5.714 1.00 0.36 C ATOM 2445 C TYR A 139 7.029 4.699 6.718 1.00 0.34 C ATOM 2446 O TYR A 139 6.619 5.636 7.412 1.00 0.39 O ATOM 2447 CB TYR A 139 9.398 5.460 6.408 1.00 0.42 C ATOM 2448 CG TYR A 139 10.591 5.611 5.486 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.823 6.804 4.817 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.482 4.560 5.280 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.904 6.949 3.968 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.568 4.699 4.434 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.789 5.878 3.801 1.00 0.56 C ATOM 2454 OH TYR A 139 13.846 6.043 2.936 1.00 0.64 O ATOM 0 H TYR A 139 7.827 6.775 4.851 1.00 0.39 H new ATOM 0 HA TYR A 139 8.395 3.925 5.287 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.156 6.432 6.838 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.669 4.804 7.235 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.147 7.634 4.962 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.322 3.621 5.789 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.064 7.877 3.440 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.240 3.868 4.278 1.00 0.56 H new ATOM 0 HH TYR A 139 14.382 5.223 2.915 1.00 0.64 H new ATOM 2464 N TYR A 140 6.527 3.477 6.775 1.00 0.29 N ATOM 2465 CA TYR A 140 5.490 3.112 7.723 1.00 0.27 C ATOM 2466 C TYR A 140 6.095 2.290 8.848 1.00 0.29 C ATOM 2467 O TYR A 140 6.891 1.387 8.608 1.00 0.37 O ATOM 2468 CB TYR A 140 4.389 2.281 7.049 1.00 0.27 C ATOM 2469 CG TYR A 140 3.559 3.013 6.015 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.226 3.334 6.248 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.126 3.410 4.812 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.484 4.025 5.309 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.390 4.095 3.869 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.000 4.311 4.114 1.00 0.48 C ATOM 2475 OH TYR A 140 1.345 5.096 3.181 1.00 0.60 O ATOM 0 H TYR A 140 6.826 2.714 6.168 1.00 0.29 H new ATOM 0 HA TYR A 140 5.052 4.031 8.112 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.851 1.416 6.572 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.721 1.900 7.822 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.763 3.038 7.178 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.162 3.178 4.611 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.477 4.336 5.546 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.854 4.460 2.965 1.00 0.52 H new ATOM 0 HH TYR A 140 1.718 6.002 3.197 1.00 0.60 H new ATOM 2485 N LYS A 141 5.728 2.604 10.068 1.00 0.37 N ATOM 2486 CA LYS A 141 6.097 1.777 11.201 1.00 0.48 C ATOM 2487 C LYS A 141 4.847 1.088 11.690 1.00 0.45 C ATOM 2488 O LYS A 141 3.777 1.426 11.236 1.00 0.54 O ATOM 2489 CB LYS A 141 6.690 2.602 12.321 1.00 0.69 C ATOM 2490 CG LYS A 141 5.702 3.551 12.959 1.00 0.72 C ATOM 2491 CD LYS A 141 6.030 3.737 14.417 1.00 0.97 C ATOM 2492 CE LYS A 141 7.486 4.121 14.588 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.863 4.260 16.018 1.00 1.92 N ATOM 0 H LYS A 141 5.173 3.426 10.305 1.00 0.37 H new ATOM 0 HA LYS A 141 6.853 1.056 10.891 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.084 1.932 13.085 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.533 3.174 11.933 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.727 4.513 12.447 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.690 3.160 12.853 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.391 4.510 14.844 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.824 2.816 14.963 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.117 3.366 14.119 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.676 5.061 14.070 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.867 4.523 16.088 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.279 4.998 16.461 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 7.707 3.356 16.508 1.00 1.92 H new ATOM 2507 N LYS A 142 4.966 0.119 12.575 1.00 0.44 N ATOM 2508 CA LYS A 142 3.787 -0.467 13.217 1.00 0.43 C ATOM 2509 C LYS A 142 2.896 0.619 13.859 1.00 0.36 C ATOM 2510 O LYS A 142 3.272 1.786 13.943 1.00 0.34 O ATOM 2511 CB LYS A 142 4.242 -1.488 14.269 1.00 0.54 C ATOM 2512 CG LYS A 142 3.107 -2.223 14.963 1.00 0.87 C ATOM 2513 CD LYS A 142 3.633 -3.253 15.947 1.00 1.30 C ATOM 2514 CE LYS A 142 2.507 -3.881 16.749 1.00 1.43 C ATOM 2515 NZ LYS A 142 1.853 -2.898 17.656 1.00 2.13 N ATOM 0 H LYS A 142 5.856 -0.283 12.870 1.00 0.44 H new ATOM 0 HA LYS A 142 3.186 -0.969 12.458 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.893 -2.219 13.790 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.840 -0.974 15.022 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.475 -1.507 15.487 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.481 -2.715 14.218 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.174 -4.030 15.407 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.344 -2.781 16.624 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.764 -4.296 16.068 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.899 -4.711 17.336 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 1.249 -3.402 18.336 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 2.581 -2.362 18.170 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 1.271 -2.242 17.096 1.00 2.13 H new ATOM 2529 N GLN A 143 1.664 0.270 14.178 1.00 0.44 N ATOM 2530 CA GLN A 143 0.899 1.028 15.154 1.00 0.53 C ATOM 2531 C GLN A 143 1.192 0.496 16.548 1.00 0.68 C ATOM 2532 O GLN A 143 0.685 -0.594 16.887 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.605 0.942 14.868 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.080 1.829 13.728 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.329 3.272 14.147 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -2.179 3.953 13.575 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -0.592 3.753 15.135 1.00 1.28 N ATOM 2538 OXT GLN A 143 1.944 1.155 17.291 1.00 1.19 O ATOM 0 H GLN A 143 1.172 -0.529 13.779 1.00 0.44 H new ATOM 0 HA GLN A 143 1.195 2.075 15.088 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.860 -0.092 14.638 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.150 1.211 15.773 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.336 1.813 12.931 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.999 1.415 13.314 1.00 0.63 H new ATOM 0 HE21 GLN A 143 0.104 3.160 15.587 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -0.720 4.717 15.444 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 0.342 5.741 0.114 1.00 0.86 C HETATM 2549 O1 OLA A1001 -0.059 4.560 0.083 1.00 1.40 O HETATM 2550 O2 OLA A1001 1.426 6.074 0.637 1.00 1.48 O HETATM 2551 C2 OLA A1001 -0.552 6.822 -0.464 1.00 0.78 C HETATM 2552 C3 OLA A1001 -1.535 7.331 0.573 1.00 1.13 C HETATM 2553 C4 OLA A1001 -2.611 8.212 -0.029 1.00 1.05 C HETATM 2554 C5 OLA A1001 -3.709 8.467 0.987 1.00 1.15 C HETATM 2555 C6 OLA A1001 -4.959 9.043 0.345 1.00 1.18 C HETATM 2556 C7 OLA A1001 -4.755 10.479 -0.087 1.00 1.02 C HETATM 2557 C8 OLA A1001 -5.938 10.987 -0.885 1.00 0.99 C HETATM 2558 C9 OLA A1001 -5.870 12.431 -1.260 1.00 0.72 C HETATM 2559 C10 OLA A1001 -6.657 13.036 -2.109 1.00 0.75 C HETATM 2560 C11 OLA A1001 -7.767 12.386 -2.885 1.00 0.92 C HETATM 2561 C12 OLA A1001 -7.356 11.837 -4.249 1.00 0.77 C HETATM 2562 C13 OLA A1001 -6.204 10.854 -4.132 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.701 10.400 -5.488 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.608 9.351 -5.349 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.330 9.939 -4.763 1.00 0.59 C HETATM 2566 C17 OLA A1001 -2.226 8.896 -4.687 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.921 9.436 -4.146 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.565 10.240 -4.790 1.00 0.40 H new HETATM 0 H182 OLA A1001 -1.076 9.820 -3.138 1.00 0.40 H new HETATM 0 H181 OLA A1001 -0.180 8.637 -4.120 1.00 0.40 H new HETATM 0 H172 OLA A1001 -2.559 8.072 -4.056 1.00 0.57 H new HETATM 0 H171 OLA A1001 -2.055 8.486 -5.682 1.00 0.57 H new HETATM 0 H162 OLA A1001 -2.999 10.778 -5.375 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.531 10.332 -3.766 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.961 8.541 -4.711 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.394 8.918 -6.326 1.00 0.70 H new HETATM 0 H142 OLA A1001 -6.529 9.991 -6.067 1.00 0.88 H new HETATM 0 H141 OLA A1001 -5.317 11.257 -6.042 1.00 0.88 H new HETATM 0 H132 OLA A1001 -5.387 11.318 -3.580 1.00 0.76 H new HETATM 0 H131 OLA A1001 -6.526 9.986 -3.556 1.00 0.76 H new HETATM 0 H122 OLA A1001 -8.209 11.345 -4.716 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.067 12.661 -4.902 1.00 0.77 H new HETATM 0 H112 OLA A1001 -8.179 11.571 -2.290 1.00 0.92 H new HETATM 0 H111 OLA A1001 -8.567 13.113 -3.027 1.00 0.92 H new HETATM 0 HO2 OLA A1001 1.575 5.544 1.448 1.00 1.48 H new HETATM 0 H9 OLA A1001 -5.096 13.033 -0.784 1.00 0.72 H new HETATM 0 H82 OLA A1001 -6.025 10.394 -1.795 1.00 0.99 H new HETATM 0 H81 OLA A1001 -6.847 10.819 -0.307 1.00 0.99 H new HETATM 0 H72 OLA A1001 -4.609 11.108 0.791 1.00 1.02 H new HETATM 0 H71 OLA A1001 -3.849 10.555 -0.688 1.00 1.02 H new HETATM 0 H62 OLA A1001 -5.236 8.439 -0.519 1.00 1.18 H new HETATM 0 H61 OLA A1001 -5.788 8.989 1.050 1.00 1.18 H new HETATM 0 H52 OLA A1001 -3.959 7.534 1.492 1.00 1.15 H new HETATM 0 H51 OLA A1001 -3.344 9.155 1.750 1.00 1.15 H new HETATM 0 H42 OLA A1001 -2.178 9.158 -0.352 1.00 1.05 H new HETATM 0 H41 OLA A1001 -3.029 7.734 -0.915 1.00 1.05 H new HETATM 0 H32 OLA A1001 -2.002 6.483 1.073 1.00 1.13 H new HETATM 0 H31 OLA A1001 -0.995 7.892 1.336 1.00 1.13 H new HETATM 0 H22 OLA A1001 0.059 7.648 -0.826 1.00 0.78 H new HETATM 0 H21 OLA A1001 -1.096 6.428 -1.322 1.00 0.78 H new HETATM 0 H10 OLA A1001 -6.495 14.102 -2.268 1.00 0.75 H new