USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 HIS : no HE2:sc= -3.88 K(o=-5.7,f=-8.9!) USER MOD Set 1.2: A 68 MET CE :methyl -155:sc= -1.83 (180deg=-3.18!) USER MOD Set 2.1: A 65 THR OG1 : rot -170:sc= 0.103 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.033 USER MOD Set 3.1: A 48 MET CE :methyl 150:sc= -0.34 (180deg=-1.45) USER MOD Set 3.2: A 50 MET CE :methyl 179:sc= -2.17! (180deg=-2.18!) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.21) USER MOD Single : A 11 TYR OH : rot 168:sc= 0.773 USER MOD Single : A 12 SER OG : rot 44:sc= 0.043 USER MOD Single : A 13 GLN : amide:sc= 0.481 K(o=0.48,f=-0.024) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.377 K(o=-0.38,f=-8.1!) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0415 (180deg=-0.283) USER MOD Single : A 34 ASN : amide:sc= -4.89! C(o=-4.9!,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.06) USER MOD Single : A 40 ASN : amide:sc= -0.983! C(o=-0.98!,f=-5.1!) USER MOD Single : A 43 ASN : amide:sc= 0.0798 X(o=0.08,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.01 K(o=-1,f=-0.27) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.06) USER MOD Single : A 59 CYS SG : rot 20:sc= -1.17! USER MOD Single : A 61 ASN : amide:sc= -0.438 K(o=-0.44,f=-11!) USER MOD Single : A 66 THR OG1 : rot -82:sc= 1.46 USER MOD Single : A 69 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 142:sc= 2.25 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.109 USER MOD Single : A 88 SER OG : rot 66:sc= -0.0191 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.03) USER MOD Single : A 96 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 1.73 (180deg=1.42) USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= -0.066 (180deg=-0.469) USER MOD Single : A 103 THR OG1 : rot -170:sc= -0.0601 USER MOD Single : A 111 LYS NZ :NH3+ -152:sc= 2.02 (180deg=0.573) USER MOD Single : A 112 GLN : amide:sc= -0.731 K(o=-0.73,f=-3.9!) USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= -0.0537 (180deg=-0.426) USER MOD Single : A 117 CYS SG : rot 75:sc= -0.039 USER MOD Single : A 118 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.525 -6.478 -11.331 1.00 0.00 N ATOM 44 CA GLU A 5 -9.982 -5.208 -11.317 1.00 0.00 C ATOM 45 C GLU A 5 -10.818 -4.442 -10.334 1.00 0.00 C ATOM 46 O GLU A 5 -11.237 -5.045 -9.321 1.00 0.00 O ATOM 47 CB GLU A 5 -9.962 -4.610 -12.750 1.00 0.00 C ATOM 48 CG GLU A 5 -11.329 -4.368 -13.326 1.00 0.00 C ATOM 49 CD GLU A 5 -12.112 -5.599 -13.699 1.00 0.00 C ATOM 50 OE1 GLU A 5 -12.801 -6.154 -12.827 1.00 0.00 O ATOM 51 OE2 GLU A 5 -12.090 -6.007 -14.873 1.00 0.00 O ATOM 0 HA GLU A 5 -8.937 -5.181 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.413 -3.668 -12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.415 -5.286 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.911 -3.796 -12.603 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.223 -3.745 -14.214 1.00 0.00 H new ATOM 58 N ASP A 6 -11.050 -3.181 -10.638 1.00 0.00 N ATOM 59 CA ASP A 6 -11.786 -2.187 -9.836 1.00 0.00 C ATOM 60 C ASP A 6 -10.829 -1.235 -9.179 1.00 0.00 C ATOM 61 O ASP A 6 -11.196 -0.241 -8.552 1.00 0.00 O ATOM 62 CB ASP A 6 -12.799 -2.817 -8.891 1.00 0.00 C ATOM 63 CG ASP A 6 -13.615 -1.850 -8.064 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.682 -1.407 -8.568 1.00 0.00 O ATOM 65 OD2 ASP A 6 -13.253 -1.554 -6.902 1.00 0.00 O ATOM 0 H ASP A 6 -10.710 -2.781 -11.513 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.403 -1.592 -10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.482 -3.431 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.269 -3.487 -8.214 1.00 0.00 H new ATOM 70 N GLU A 7 -9.601 -1.499 -9.419 1.00 0.00 N ATOM 71 CA GLU A 7 -8.555 -0.697 -9.005 1.00 0.00 C ATOM 72 C GLU A 7 -7.589 -0.580 -10.125 1.00 0.00 C ATOM 73 O GLU A 7 -7.351 -1.535 -10.865 1.00 0.00 O ATOM 74 CB GLU A 7 -7.964 -1.156 -7.652 1.00 0.00 C ATOM 75 CG GLU A 7 -7.322 -2.526 -7.567 1.00 0.00 C ATOM 76 CD GLU A 7 -8.256 -3.710 -7.655 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.851 -4.107 -6.622 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.299 -4.326 -8.720 1.00 0.00 O ATOM 0 H GLU A 7 -9.301 -2.325 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.904 0.311 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.217 -0.421 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.764 -1.119 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.587 -2.610 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.776 -2.590 -6.626 1.00 0.00 H new ATOM 85 N LYS A 8 -7.071 0.600 -10.277 1.00 0.00 N ATOM 86 CA LYS A 8 -6.271 0.895 -11.424 1.00 0.00 C ATOM 87 C LYS A 8 -4.834 1.288 -11.080 1.00 0.00 C ATOM 88 O LYS A 8 -4.563 1.747 -9.965 1.00 0.00 O ATOM 89 CB LYS A 8 -6.970 1.915 -12.377 1.00 0.00 C ATOM 90 CG LYS A 8 -7.236 3.327 -11.810 1.00 0.00 C ATOM 91 CD LYS A 8 -6.018 4.270 -11.884 1.00 0.00 C ATOM 92 CE LYS A 8 -5.679 4.662 -13.330 1.00 0.00 C ATOM 93 NZ LYS A 8 -4.503 5.569 -13.408 1.00 0.00 N ATOM 0 H LYS A 8 -7.188 1.373 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.181 -0.040 -11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.357 2.018 -13.273 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.923 1.489 -12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.065 3.777 -12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.551 3.237 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.221 5.170 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.155 3.784 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.480 3.762 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.542 5.150 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.344 5.847 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.681 6.418 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.661 5.077 -13.047 1.00 0.00 H new ATOM 107 N VAL A 9 -3.943 1.154 -12.062 1.00 0.00 N ATOM 108 CA VAL A 9 -2.534 1.409 -11.923 1.00 0.00 C ATOM 109 C VAL A 9 -2.302 2.865 -11.701 1.00 0.00 C ATOM 110 O VAL A 9 -2.706 3.700 -12.501 1.00 0.00 O ATOM 111 CB VAL A 9 -1.730 0.984 -13.196 1.00 0.00 C ATOM 112 CG1 VAL A 9 -0.228 1.168 -12.987 1.00 0.00 C ATOM 113 CG2 VAL A 9 -2.032 -0.447 -13.598 1.00 0.00 C ATOM 0 H VAL A 9 -4.204 0.855 -13.001 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.188 0.820 -11.073 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.050 1.637 -14.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.305 0.865 -13.888 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.016 2.216 -12.776 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.100 0.555 -12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.455 -0.705 -14.486 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.763 -1.118 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.095 -0.547 -13.815 1.00 0.00 H new ATOM 123 N LEU A 10 -1.726 3.162 -10.608 1.00 0.00 N ATOM 124 CA LEU A 10 -1.329 4.514 -10.329 1.00 0.00 C ATOM 125 C LEU A 10 0.135 4.681 -10.738 1.00 0.00 C ATOM 126 O LEU A 10 0.436 5.335 -11.730 1.00 0.00 O ATOM 127 CB LEU A 10 -1.561 4.890 -8.846 1.00 0.00 C ATOM 128 CG LEU A 10 -1.895 6.387 -8.536 1.00 0.00 C ATOM 129 CD1 LEU A 10 -0.818 7.354 -9.008 1.00 0.00 C ATOM 130 CD2 LEU A 10 -3.236 6.772 -9.136 1.00 0.00 C ATOM 0 H LEU A 10 -1.508 2.491 -9.871 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.948 5.200 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.376 4.275 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.667 4.619 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.941 6.469 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.112 8.374 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.124 7.119 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.694 7.262 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.450 7.817 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.204 6.635 -10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.018 6.142 -8.713 1.00 0.00 H new ATOM 142 N TYR A 11 1.015 4.035 -10.021 1.00 0.00 N ATOM 143 CA TYR A 11 2.458 4.132 -10.276 1.00 0.00 C ATOM 144 C TYR A 11 3.157 2.797 -10.067 1.00 0.00 C ATOM 145 O TYR A 11 2.671 1.951 -9.301 1.00 0.00 O ATOM 146 CB TYR A 11 3.128 5.243 -9.441 1.00 0.00 C ATOM 147 CG TYR A 11 3.094 5.062 -7.930 1.00 0.00 C ATOM 148 CD1 TYR A 11 1.984 5.434 -7.190 1.00 0.00 C ATOM 149 CD2 TYR A 11 4.194 4.557 -7.245 1.00 0.00 C ATOM 150 CE1 TYR A 11 1.960 5.311 -5.819 1.00 0.00 C ATOM 151 CE2 TYR A 11 4.177 4.422 -5.871 1.00 0.00 C ATOM 152 CZ TYR A 11 3.056 4.803 -5.165 1.00 0.00 C ATOM 153 OH TYR A 11 3.033 4.681 -3.800 1.00 0.00 O ATOM 0 H TYR A 11 0.770 3.424 -9.242 1.00 0.00 H new ATOM 0 HA TYR A 11 2.567 4.407 -11.325 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.169 5.325 -9.753 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.647 6.191 -9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.118 5.829 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.076 4.266 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.085 5.612 -5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.036 4.021 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 11 3.795 4.139 -3.507 1.00 0.00 H new ATOM 163 N SER A 12 4.244 2.594 -10.799 1.00 0.00 N ATOM 164 CA SER A 12 5.031 1.411 -10.756 1.00 0.00 C ATOM 165 C SER A 12 6.529 1.741 -10.496 1.00 0.00 C ATOM 166 O SER A 12 7.099 2.599 -11.182 1.00 0.00 O ATOM 167 CB SER A 12 4.850 0.753 -12.105 1.00 0.00 C ATOM 168 OG SER A 12 4.961 1.715 -13.160 1.00 0.00 O ATOM 0 H SER A 12 4.599 3.287 -11.458 1.00 0.00 H new ATOM 0 HA SER A 12 4.719 0.755 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.600 -0.027 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.875 0.268 -12.150 1.00 0.00 H new ATOM 0 HG SER A 12 5.720 2.309 -12.983 1.00 0.00 H new ATOM 174 N GLN A 13 7.150 1.091 -9.500 1.00 0.00 N ATOM 175 CA GLN A 13 8.573 1.333 -9.197 1.00 0.00 C ATOM 176 C GLN A 13 9.353 0.151 -8.646 1.00 0.00 C ATOM 177 O GLN A 13 8.797 -0.760 -8.075 1.00 0.00 O ATOM 178 CB GLN A 13 8.845 2.663 -8.485 1.00 0.00 C ATOM 179 CG GLN A 13 8.056 2.869 -7.202 1.00 0.00 C ATOM 180 CD GLN A 13 8.291 4.241 -6.596 1.00 0.00 C ATOM 181 OE1 GLN A 13 7.581 5.200 -6.904 1.00 0.00 O ATOM 182 NE2 GLN A 13 9.281 4.354 -5.755 1.00 0.00 N ATOM 0 H GLN A 13 6.699 0.403 -8.897 1.00 0.00 H new ATOM 0 HA GLN A 13 9.010 1.451 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.909 2.726 -8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.618 3.480 -9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.993 2.742 -7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.335 2.102 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.848 3.539 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.488 5.258 -5.329 1.00 0.00 H new ATOM 191 N ARG A 14 10.665 0.225 -8.805 1.00 0.00 N ATOM 192 CA ARG A 14 11.570 -0.867 -8.535 1.00 0.00 C ATOM 193 C ARG A 14 11.775 -0.988 -7.038 1.00 0.00 C ATOM 194 O ARG A 14 12.248 -0.056 -6.374 1.00 0.00 O ATOM 195 CB ARG A 14 12.915 -0.563 -9.205 1.00 0.00 C ATOM 196 CG ARG A 14 13.760 -1.774 -9.585 1.00 0.00 C ATOM 197 CD ARG A 14 13.108 -2.589 -10.703 1.00 0.00 C ATOM 198 NE ARG A 14 12.724 -1.737 -11.851 1.00 0.00 N ATOM 199 CZ ARG A 14 12.581 -2.131 -13.120 1.00 0.00 C ATOM 200 NH1 ARG A 14 12.987 -3.335 -13.513 1.00 0.00 N ATOM 201 NH2 ARG A 14 12.077 -1.280 -14.006 1.00 0.00 N ATOM 0 H ARG A 14 11.135 1.068 -9.133 1.00 0.00 H new ATOM 0 HA ARG A 14 11.159 -1.799 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.726 0.021 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.499 0.067 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.748 -1.443 -9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.904 -2.407 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.798 -3.363 -11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.225 -3.097 -10.315 1.00 0.00 H new ATOM 0 HE ARG A 14 12.551 -0.751 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.415 -3.973 -12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.870 -3.620 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.805 -0.341 -13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.961 -1.565 -14.978 1.00 0.00 H new ATOM 215 N VAL A 15 11.438 -2.130 -6.534 1.00 0.00 N ATOM 216 CA VAL A 15 11.454 -2.406 -5.125 1.00 0.00 C ATOM 217 C VAL A 15 11.960 -3.845 -4.898 1.00 0.00 C ATOM 218 O VAL A 15 12.206 -4.593 -5.866 1.00 0.00 O ATOM 219 CB VAL A 15 9.995 -2.275 -4.558 1.00 0.00 C ATOM 220 CG1 VAL A 15 9.124 -3.469 -4.946 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.966 -2.026 -3.054 1.00 0.00 C ATOM 0 H VAL A 15 11.135 -2.921 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 15 12.111 -1.700 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 15 9.566 -1.389 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.123 -3.339 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.063 -3.537 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.563 -4.384 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.932 -1.944 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.450 -2.855 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.495 -1.100 -2.828 1.00 0.00 H new ATOM 231 N LYS A 16 12.143 -4.199 -3.657 1.00 0.00 N ATOM 232 CA LYS A 16 12.457 -5.539 -3.256 1.00 0.00 C ATOM 233 C LYS A 16 11.335 -5.956 -2.302 1.00 0.00 C ATOM 234 O LYS A 16 10.996 -5.160 -1.394 1.00 0.00 O ATOM 235 CB LYS A 16 13.797 -5.560 -2.509 1.00 0.00 C ATOM 236 CG LYS A 16 14.979 -4.973 -3.263 1.00 0.00 C ATOM 237 CD LYS A 16 16.258 -5.136 -2.457 1.00 0.00 C ATOM 238 CE LYS A 16 17.473 -4.597 -3.195 1.00 0.00 C ATOM 239 NZ LYS A 16 18.724 -4.795 -2.422 1.00 0.00 N ATOM 0 H LYS A 16 12.076 -3.545 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 16 12.538 -6.208 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.679 -5.014 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.031 -6.592 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.085 -5.468 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.801 -3.917 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.154 -4.617 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.411 -6.191 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.561 -5.094 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.334 -3.534 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.528 -4.414 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.651 -4.299 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.871 -5.811 -2.253 1.00 0.00 H new ATOM 253 N LEU A 17 10.753 -7.165 -2.471 1.00 0.00 N ATOM 254 CA LEU A 17 9.642 -7.564 -1.656 1.00 0.00 C ATOM 255 C LEU A 17 10.129 -8.555 -0.675 1.00 0.00 C ATOM 256 O LEU A 17 11.037 -9.322 -0.976 1.00 0.00 O ATOM 257 CB LEU A 17 8.527 -8.165 -2.507 1.00 0.00 C ATOM 258 CG LEU A 17 7.351 -8.792 -1.765 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.595 -7.763 -0.942 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.450 -9.501 -2.745 1.00 0.00 C ATOM 0 H LEU A 17 11.048 -7.855 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 17 9.229 -6.694 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.138 -7.382 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.966 -8.927 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 17 7.736 -9.527 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.765 -8.247 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.267 -7.319 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.210 -6.983 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.611 -9.947 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.075 -8.786 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.012 -10.283 -3.256 1.00 0.00 H new ATOM 272 N PHE A 18 9.567 -8.528 0.487 1.00 0.00 N ATOM 273 CA PHE A 18 9.981 -9.361 1.563 1.00 0.00 C ATOM 274 C PHE A 18 8.800 -9.961 2.308 1.00 0.00 C ATOM 275 O PHE A 18 7.734 -9.378 2.361 1.00 0.00 O ATOM 276 CB PHE A 18 10.816 -8.538 2.535 1.00 0.00 C ATOM 277 CG PHE A 18 12.106 -8.024 1.968 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.135 -6.839 1.284 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.280 -8.736 2.107 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.291 -6.371 0.749 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.456 -8.264 1.571 1.00 0.00 C ATOM 282 CZ PHE A 18 14.459 -7.078 0.887 1.00 0.00 C ATOM 0 H PHE A 18 8.789 -7.911 0.719 1.00 0.00 H new ATOM 0 HA PHE A 18 10.564 -10.182 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.222 -7.691 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.037 -9.148 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.225 -6.268 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.276 -9.674 2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.292 -5.435 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.371 -8.826 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.376 -6.701 0.458 1.00 0.00 H new ATOM 292 N ARG A 19 9.024 -11.129 2.853 1.00 0.00 N ATOM 293 CA ARG A 19 8.165 -11.821 3.686 1.00 0.00 C ATOM 294 C ARG A 19 8.751 -11.968 5.037 1.00 0.00 C ATOM 295 O ARG A 19 9.958 -12.028 5.228 1.00 0.00 O ATOM 296 CB ARG A 19 7.876 -13.180 3.180 1.00 0.00 C ATOM 297 CG ARG A 19 9.073 -13.988 2.688 1.00 0.00 C ATOM 298 CD ARG A 19 8.661 -15.392 2.287 1.00 0.00 C ATOM 299 NE ARG A 19 9.776 -16.154 1.722 1.00 0.00 N ATOM 300 CZ ARG A 19 9.927 -17.489 1.817 1.00 0.00 C ATOM 301 NH1 ARG A 19 9.053 -18.221 2.507 1.00 0.00 N ATOM 302 NH2 ARG A 19 10.949 -18.082 1.217 1.00 0.00 N ATOM 0 H ARG A 19 9.895 -11.635 2.691 1.00 0.00 H new ATOM 0 HA ARG A 19 7.243 -11.240 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.386 -13.744 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.161 -13.095 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.530 -13.484 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.828 -14.038 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.269 -15.917 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.853 -15.338 1.557 1.00 0.00 H new ATOM 0 HE ARG A 19 10.494 -15.634 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.262 -17.771 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.175 -19.232 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.619 -17.528 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.065 -19.093 1.288 1.00 0.00 H new ATOM 316 N PHE A 20 7.900 -11.994 5.923 1.00 0.00 N ATOM 317 CA PHE A 20 8.189 -12.150 7.280 1.00 0.00 C ATOM 318 C PHE A 20 8.140 -13.627 7.521 1.00 0.00 C ATOM 319 O PHE A 20 7.201 -14.309 7.099 1.00 0.00 O ATOM 320 CB PHE A 20 7.120 -11.485 8.135 1.00 0.00 C ATOM 321 CG PHE A 20 7.533 -11.226 9.555 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.338 -10.143 9.864 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.120 -12.062 10.577 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.721 -9.895 11.166 1.00 0.00 C ATOM 325 CE2 PHE A 20 7.501 -11.818 11.881 1.00 0.00 C ATOM 326 CZ PHE A 20 8.301 -10.734 12.175 1.00 0.00 C ATOM 0 H PHE A 20 6.902 -11.902 5.732 1.00 0.00 H new ATOM 0 HA PHE A 20 9.150 -11.703 7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.839 -10.539 7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.230 -12.115 8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.670 -9.484 9.076 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.494 -12.913 10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.348 -9.046 11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.172 -12.476 12.671 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.598 -10.543 13.196 1.00 0.00 H new ATOM 336 N ASP A 21 9.116 -14.108 8.129 1.00 0.00 N ATOM 337 CA ASP A 21 9.177 -15.515 8.451 1.00 0.00 C ATOM 338 C ASP A 21 8.533 -15.748 9.722 1.00 0.00 C ATOM 339 O ASP A 21 8.831 -15.125 10.671 1.00 0.00 O ATOM 340 CB ASP A 21 10.554 -16.160 8.510 1.00 0.00 C ATOM 341 CG ASP A 21 10.392 -17.595 8.082 1.00 0.00 C ATOM 342 OD1 ASP A 21 9.954 -18.416 8.889 1.00 0.00 O ATOM 343 OD2 ASP A 21 10.678 -17.914 6.925 1.00 0.00 O ATOM 0 H ASP A 21 9.923 -13.566 8.438 1.00 0.00 H new ATOM 0 HA ASP A 21 8.672 -15.986 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.251 -15.639 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.963 -16.103 9.519 1.00 0.00 H new ATOM 348 N ALA A 22 7.596 -16.543 9.692 1.00 0.00 N ATOM 349 CA ALA A 22 6.853 -16.908 10.875 1.00 0.00 C ATOM 350 C ALA A 22 7.713 -17.730 11.808 1.00 0.00 C ATOM 351 O ALA A 22 7.686 -17.549 13.017 1.00 0.00 O ATOM 352 CB ALA A 22 5.610 -17.679 10.506 1.00 0.00 C ATOM 0 H ALA A 22 7.273 -17.002 8.840 1.00 0.00 H new ATOM 0 HA ALA A 22 6.557 -15.992 11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.064 -17.945 11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.976 -17.063 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.890 -18.587 9.972 1.00 0.00 H new ATOM 358 N GLU A 23 8.499 -18.601 11.241 1.00 0.00 N ATOM 359 CA GLU A 23 9.383 -19.420 12.004 1.00 0.00 C ATOM 360 C GLU A 23 10.694 -18.747 12.313 1.00 0.00 C ATOM 361 O GLU A 23 11.372 -19.100 13.290 1.00 0.00 O ATOM 362 CB GLU A 23 9.553 -20.789 11.398 1.00 0.00 C ATOM 363 CG GLU A 23 8.330 -21.655 11.615 1.00 0.00 C ATOM 364 CD GLU A 23 7.981 -21.759 13.089 1.00 0.00 C ATOM 365 OE1 GLU A 23 8.868 -22.102 13.897 1.00 0.00 O ATOM 366 OE2 GLU A 23 6.833 -21.463 13.475 1.00 0.00 O ATOM 0 H GLU A 23 8.541 -18.760 10.234 1.00 0.00 H new ATOM 0 HA GLU A 23 8.902 -19.569 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.745 -20.692 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.425 -21.275 11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.485 -21.238 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.511 -22.651 11.211 1.00 0.00 H new ATOM 373 N VAL A 24 11.077 -17.776 11.498 1.00 0.00 N ATOM 374 CA VAL A 24 12.344 -17.103 11.778 1.00 0.00 C ATOM 375 C VAL A 24 12.099 -15.794 12.408 1.00 0.00 C ATOM 376 O VAL A 24 12.999 -15.159 12.946 1.00 0.00 O ATOM 377 CB VAL A 24 13.265 -16.893 10.547 1.00 0.00 C ATOM 378 CG1 VAL A 24 14.720 -16.653 10.942 1.00 0.00 C ATOM 379 CG2 VAL A 24 13.150 -18.023 9.628 1.00 0.00 C ATOM 0 H VAL A 24 10.565 -17.447 10.680 1.00 0.00 H new ATOM 0 HA VAL A 24 12.873 -17.781 12.448 1.00 0.00 H new ATOM 0 HB VAL A 24 12.928 -15.990 10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.322 -16.512 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.785 -15.762 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.093 -17.513 11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.802 -17.861 8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.444 -18.939 10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.118 -18.112 9.288 1.00 0.00 H new ATOM 389 N SER A 25 10.838 -15.430 12.397 1.00 0.00 N ATOM 390 CA SER A 25 10.397 -14.107 12.725 1.00 0.00 C ATOM 391 C SER A 25 11.127 -13.154 11.885 1.00 0.00 C ATOM 392 O SER A 25 11.340 -12.001 12.286 1.00 0.00 O ATOM 393 CB SER A 25 10.624 -13.862 14.162 1.00 0.00 C ATOM 394 OG SER A 25 9.634 -14.470 14.972 1.00 0.00 O ATOM 0 H SER A 25 10.078 -16.065 12.153 1.00 0.00 H new ATOM 0 HA SER A 25 9.330 -13.988 12.534 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.606 -14.244 14.443 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.634 -12.788 14.348 1.00 0.00 H new ATOM 0 HG SER A 25 9.824 -14.284 15.915 1.00 0.00 H new ATOM 400 N GLN A 26 11.465 -13.553 10.662 1.00 0.00 N ATOM 401 CA GLN A 26 12.387 -12.692 10.075 1.00 0.00 C ATOM 402 C GLN A 26 12.063 -12.220 8.679 1.00 0.00 C ATOM 403 O GLN A 26 11.484 -12.922 7.880 1.00 0.00 O ATOM 404 CB GLN A 26 13.815 -13.252 10.206 1.00 0.00 C ATOM 405 CG GLN A 26 14.970 -12.387 9.683 1.00 0.00 C ATOM 406 CD GLN A 26 15.082 -11.001 10.331 1.00 0.00 C ATOM 407 OE1 GLN A 26 14.083 -10.368 10.708 1.00 0.00 O ATOM 408 NE2 GLN A 26 16.281 -10.531 10.485 1.00 0.00 N ATOM 0 H GLN A 26 11.144 -14.368 10.140 1.00 0.00 H new ATOM 0 HA GLN A 26 12.318 -11.769 10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.000 -13.457 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.849 -14.209 9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.906 -12.923 9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.852 -12.261 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.085 -11.071 10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.420 -9.621 10.925 1.00 0.00 H new ATOM 417 N TRP A 27 12.472 -11.019 8.449 1.00 0.00 N ATOM 418 CA TRP A 27 12.438 -10.331 7.200 1.00 0.00 C ATOM 419 C TRP A 27 13.329 -11.063 6.153 1.00 0.00 C ATOM 420 O TRP A 27 14.574 -11.003 6.195 1.00 0.00 O ATOM 421 CB TRP A 27 12.903 -8.883 7.508 1.00 0.00 C ATOM 422 CG TRP A 27 13.395 -8.048 6.380 1.00 0.00 C ATOM 423 CD1 TRP A 27 12.665 -7.443 5.418 1.00 0.00 C ATOM 424 CD2 TRP A 27 14.759 -7.676 6.150 1.00 0.00 C ATOM 425 NE1 TRP A 27 13.493 -6.727 4.585 1.00 0.00 N ATOM 426 CE2 TRP A 27 14.784 -6.862 5.015 1.00 0.00 C ATOM 427 CE3 TRP A 27 15.962 -7.971 6.797 1.00 0.00 C ATOM 428 CZ2 TRP A 27 15.964 -6.327 4.508 1.00 0.00 C ATOM 429 CZ3 TRP A 27 17.131 -7.444 6.297 1.00 0.00 C ATOM 430 CH2 TRP A 27 17.124 -6.632 5.163 1.00 0.00 C ATOM 0 H TRP A 27 12.872 -10.444 9.191 1.00 0.00 H new ATOM 0 HA TRP A 27 11.444 -10.310 6.754 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.069 -8.357 7.972 1.00 0.00 H new ATOM 0 HB3 TRP A 27 13.698 -8.940 8.252 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.592 -7.511 5.318 1.00 0.00 H new ATOM 0 HE1 TRP A 27 13.192 -6.183 3.776 1.00 0.00 H new ATOM 0 HE3 TRP A 27 15.974 -8.601 7.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 15.963 -5.696 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 18.067 -7.662 6.790 1.00 0.00 H new ATOM 0 HH2 TRP A 27 18.058 -6.235 4.794 1.00 0.00 H new ATOM 441 N LYS A 28 12.679 -11.813 5.293 1.00 0.00 N ATOM 442 CA LYS A 28 13.300 -12.534 4.181 1.00 0.00 C ATOM 443 C LYS A 28 12.690 -12.033 2.942 1.00 0.00 C ATOM 444 O LYS A 28 11.638 -11.470 2.989 1.00 0.00 O ATOM 445 CB LYS A 28 13.111 -14.054 4.291 1.00 0.00 C ATOM 446 CG LYS A 28 13.819 -14.717 5.464 1.00 0.00 C ATOM 447 CD LYS A 28 15.323 -14.513 5.388 1.00 0.00 C ATOM 448 CE LYS A 28 16.059 -15.309 6.451 1.00 0.00 C ATOM 449 NZ LYS A 28 15.913 -16.770 6.255 1.00 0.00 N ATOM 0 H LYS A 28 11.669 -11.949 5.341 1.00 0.00 H new ATOM 0 HA LYS A 28 14.376 -12.359 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.044 -14.266 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.464 -14.515 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.441 -14.305 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.594 -15.784 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.680 -14.809 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.552 -13.454 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.116 -15.045 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.679 -15.036 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.631 -17.269 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.965 -17.068 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.040 -17.000 5.249 1.00 0.00 H new ATOM 463 N GLU A 29 13.303 -12.253 1.839 1.00 0.00 N ATOM 464 CA GLU A 29 12.863 -11.681 0.681 1.00 0.00 C ATOM 465 C GLU A 29 11.832 -12.538 0.033 1.00 0.00 C ATOM 466 O GLU A 29 11.668 -13.723 0.358 1.00 0.00 O ATOM 467 CB GLU A 29 14.029 -11.399 -0.257 1.00 0.00 C ATOM 468 CG GLU A 29 14.788 -12.633 -0.694 1.00 0.00 C ATOM 469 CD GLU A 29 16.022 -12.284 -1.455 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.920 -11.726 -2.561 1.00 0.00 O ATOM 471 OE2 GLU A 29 17.121 -12.537 -0.959 1.00 0.00 O ATOM 0 H GLU A 29 14.129 -12.844 1.742 1.00 0.00 H new ATOM 0 HA GLU A 29 12.396 -10.726 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.653 -10.886 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.721 -10.717 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.056 -13.224 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.143 -13.256 -1.314 1.00 0.00 H new ATOM 478 N ARG A 30 11.118 -11.939 -0.808 1.00 0.00 N ATOM 479 CA ARG A 30 10.196 -12.647 -1.637 1.00 0.00 C ATOM 480 C ARG A 30 10.668 -12.545 -3.053 1.00 0.00 C ATOM 481 O ARG A 30 10.463 -13.436 -3.862 1.00 0.00 O ATOM 482 CB ARG A 30 8.754 -12.155 -1.561 1.00 0.00 C ATOM 483 CG ARG A 30 7.941 -12.702 -0.400 1.00 0.00 C ATOM 484 CD ARG A 30 6.459 -12.405 -0.597 1.00 0.00 C ATOM 485 NE ARG A 30 5.598 -12.985 0.449 1.00 0.00 N ATOM 486 CZ ARG A 30 4.266 -13.122 0.349 1.00 0.00 C ATOM 487 NH1 ARG A 30 3.662 -12.914 -0.794 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.557 -13.538 1.379 1.00 0.00 N ATOM 0 H ARG A 30 11.139 -10.931 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 30 10.177 -13.674 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.762 -11.067 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.249 -12.416 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.094 -13.778 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.286 -12.258 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.313 -11.325 -0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.146 -12.789 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 30 6.045 -13.304 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.204 -12.646 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.650 -13.020 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.020 -13.759 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.546 -13.639 1.294 1.00 0.00 H new ATOM 502 N GLY A 31 11.299 -11.426 -3.348 1.00 0.00 N ATOM 503 CA GLY A 31 11.800 -11.203 -4.635 1.00 0.00 C ATOM 504 C GLY A 31 12.207 -9.777 -4.821 1.00 0.00 C ATOM 505 O GLY A 31 12.365 -9.026 -3.853 1.00 0.00 O ATOM 0 H GLY A 31 11.464 -10.667 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.656 -11.854 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.042 -11.466 -5.373 1.00 0.00 H new ATOM 509 N LEU A 32 12.302 -9.417 -6.047 1.00 0.00 N ATOM 510 CA LEU A 32 12.760 -8.127 -6.529 1.00 0.00 C ATOM 511 C LEU A 32 11.841 -7.766 -7.680 1.00 0.00 C ATOM 512 O LEU A 32 11.361 -8.673 -8.371 1.00 0.00 O ATOM 513 CB LEU A 32 14.201 -8.223 -7.134 1.00 0.00 C ATOM 514 CG LEU A 32 15.376 -8.770 -6.289 1.00 0.00 C ATOM 515 CD1 LEU A 32 15.502 -8.063 -4.973 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.338 -10.291 -6.127 1.00 0.00 C ATOM 0 H LEU A 32 12.049 -10.046 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 32 12.761 -7.409 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.133 -8.842 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.480 -7.221 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 32 16.282 -8.552 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.340 -8.480 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.674 -7.001 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.584 -8.193 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.187 -10.614 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.411 -10.581 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.388 -10.763 -7.108 1.00 0.00 H new ATOM 528 N GLY A 33 11.568 -6.502 -7.902 1.00 0.00 N ATOM 529 CA GLY A 33 10.771 -6.181 -9.050 1.00 0.00 C ATOM 530 C GLY A 33 10.202 -4.794 -9.050 1.00 0.00 C ATOM 531 O GLY A 33 10.837 -3.848 -8.608 1.00 0.00 O ATOM 0 H GLY A 33 11.872 -5.714 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.380 -6.309 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.951 -6.896 -9.117 1.00 0.00 H new ATOM 535 N ASN A 34 8.997 -4.706 -9.521 1.00 0.00 N ATOM 536 CA ASN A 34 8.269 -3.485 -9.717 1.00 0.00 C ATOM 537 C ASN A 34 7.048 -3.552 -8.936 1.00 0.00 C ATOM 538 O ASN A 34 6.269 -4.516 -9.009 1.00 0.00 O ATOM 539 CB ASN A 34 7.924 -3.319 -11.166 1.00 0.00 C ATOM 540 CG ASN A 34 7.160 -2.045 -11.468 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.744 -0.999 -11.738 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.855 -2.132 -11.445 1.00 0.00 N ATOM 0 H ASN A 34 8.462 -5.530 -9.795 1.00 0.00 H new ATOM 0 HA ASN A 34 8.878 -2.637 -9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.843 -3.329 -11.753 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.330 -4.174 -11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.285 -1.313 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.407 -3.019 -11.216 1.00 0.00 H new ATOM 549 N LEU A 35 6.920 -2.586 -8.159 1.00 0.00 N ATOM 550 CA LEU A 35 5.820 -2.401 -7.364 1.00 0.00 C ATOM 551 C LEU A 35 4.853 -1.526 -8.071 1.00 0.00 C ATOM 552 O LEU A 35 5.195 -0.421 -8.447 1.00 0.00 O ATOM 553 CB LEU A 35 6.238 -1.892 -5.942 1.00 0.00 C ATOM 554 CG LEU A 35 5.208 -1.218 -4.977 1.00 0.00 C ATOM 555 CD1 LEU A 35 4.904 0.226 -5.359 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.931 -2.009 -4.888 1.00 0.00 C ATOM 0 H LEU A 35 7.626 -1.857 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 35 5.312 -3.348 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.657 -2.747 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.049 -1.178 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 35 5.681 -1.207 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.184 0.644 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.823 0.812 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.488 0.256 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.240 -1.510 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.478 -2.082 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.148 -3.010 -4.514 1.00 0.00 H new ATOM 568 N LYS A 36 3.686 -2.013 -8.299 1.00 0.00 N ATOM 569 CA LYS A 36 2.705 -1.187 -8.837 1.00 0.00 C ATOM 570 C LYS A 36 1.557 -1.086 -7.868 1.00 0.00 C ATOM 571 O LYS A 36 1.233 -2.042 -7.153 1.00 0.00 O ATOM 572 CB LYS A 36 2.258 -1.573 -10.270 1.00 0.00 C ATOM 573 CG LYS A 36 1.412 -2.833 -10.409 1.00 0.00 C ATOM 574 CD LYS A 36 0.976 -3.033 -11.866 1.00 0.00 C ATOM 575 CE LYS A 36 0.031 -4.220 -12.019 1.00 0.00 C ATOM 576 NZ LYS A 36 -0.393 -4.442 -13.418 1.00 0.00 N ATOM 0 H LYS A 36 3.403 -2.976 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 36 3.145 -0.199 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.695 -0.738 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.151 -1.694 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.982 -3.699 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.534 -2.760 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.484 -2.129 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.856 -3.187 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.522 -5.119 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.851 -4.058 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.033 -5.260 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.887 -3.597 -13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.443 -4.625 -14.009 1.00 0.00 H new ATOM 590 N ILE A 37 0.942 0.029 -7.860 1.00 0.00 N ATOM 591 CA ILE A 37 -0.131 0.286 -6.967 1.00 0.00 C ATOM 592 C ILE A 37 -1.372 0.331 -7.746 1.00 0.00 C ATOM 593 O ILE A 37 -1.449 1.054 -8.761 1.00 0.00 O ATOM 594 CB ILE A 37 0.048 1.688 -6.308 1.00 0.00 C ATOM 595 CG1 ILE A 37 1.219 1.687 -5.329 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.252 2.194 -5.633 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.932 1.016 -4.000 1.00 0.00 C ATOM 0 H ILE A 37 1.167 0.807 -8.481 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.156 -0.490 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 37 0.276 2.390 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.067 1.187 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.520 2.718 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.074 3.174 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.043 2.272 -6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.555 1.493 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.820 1.063 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.107 1.528 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.662 -0.026 -4.169 1.00 0.00 H new ATOM 609 N LEU A 38 -2.345 -0.441 -7.340 1.00 0.00 N ATOM 610 CA LEU A 38 -3.603 -0.264 -7.973 1.00 0.00 C ATOM 611 C LEU A 38 -4.500 0.353 -6.937 1.00 0.00 C ATOM 612 O LEU A 38 -4.540 -0.097 -5.817 1.00 0.00 O ATOM 613 CB LEU A 38 -4.196 -1.599 -8.486 1.00 0.00 C ATOM 614 CG LEU A 38 -3.272 -2.505 -9.320 1.00 0.00 C ATOM 615 CD1 LEU A 38 -4.031 -3.690 -9.871 1.00 0.00 C ATOM 616 CD2 LEU A 38 -2.614 -1.748 -10.437 1.00 0.00 C ATOM 0 H LEU A 38 -2.291 -1.157 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.500 0.368 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.540 -2.170 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.076 -1.369 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.490 -2.868 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.356 -4.314 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.442 -4.273 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.843 -3.338 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.970 -2.421 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.378 -1.336 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.016 -0.936 -10.023 1.00 0.00 H new ATOM 628 N LYS A 39 -5.195 1.373 -7.293 1.00 0.00 N ATOM 629 CA LYS A 39 -6.068 2.037 -6.359 1.00 0.00 C ATOM 630 C LYS A 39 -7.481 1.926 -6.793 1.00 0.00 C ATOM 631 O LYS A 39 -7.775 2.048 -7.987 1.00 0.00 O ATOM 632 CB LYS A 39 -5.625 3.503 -6.041 1.00 0.00 C ATOM 633 CG LYS A 39 -5.305 4.433 -7.239 1.00 0.00 C ATOM 634 CD LYS A 39 -6.509 4.769 -8.131 1.00 0.00 C ATOM 635 CE LYS A 39 -7.619 5.498 -7.377 1.00 0.00 C ATOM 636 NZ LYS A 39 -8.767 5.802 -8.257 1.00 0.00 N ATOM 0 H LYS A 39 -5.184 1.778 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.985 1.518 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.414 3.972 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.740 3.456 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.883 5.362 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.537 3.962 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.176 5.387 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.909 3.848 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.954 4.885 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.227 6.424 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.553 6.173 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.485 6.513 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.071 4.934 -8.743 1.00 0.00 H new ATOM 650 N ASN A 40 -8.349 1.662 -5.855 1.00 0.00 N ATOM 651 CA ASN A 40 -9.758 1.435 -6.167 1.00 0.00 C ATOM 652 C ASN A 40 -10.420 2.636 -6.739 1.00 0.00 C ATOM 653 O ASN A 40 -10.104 3.764 -6.383 1.00 0.00 O ATOM 654 CB ASN A 40 -10.575 0.950 -4.960 1.00 0.00 C ATOM 655 CG ASN A 40 -10.329 -0.493 -4.618 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.438 -0.832 -3.847 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.124 -1.343 -5.172 1.00 0.00 N ATOM 0 H ASN A 40 -8.118 1.596 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.742 0.644 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.334 1.568 -4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.636 1.092 -5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.024 -2.339 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.853 -1.020 -5.808 1.00 0.00 H new ATOM 664 N GLU A 41 -11.328 2.387 -7.651 1.00 0.00 N ATOM 665 CA GLU A 41 -12.121 3.335 -8.259 1.00 0.00 C ATOM 666 C GLU A 41 -13.279 3.714 -7.336 1.00 0.00 C ATOM 667 O GLU A 41 -14.038 4.640 -7.601 1.00 0.00 O ATOM 668 CB GLU A 41 -12.578 2.706 -9.526 1.00 0.00 C ATOM 669 CG GLU A 41 -11.466 2.519 -10.548 1.00 0.00 C ATOM 670 CD GLU A 41 -10.787 3.821 -10.894 1.00 0.00 C ATOM 671 OE1 GLU A 41 -9.850 4.241 -10.175 1.00 0.00 O ATOM 672 OE2 GLU A 41 -11.196 4.473 -11.877 1.00 0.00 O ATOM 0 H GLU A 41 -11.517 1.442 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.594 4.266 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.021 1.736 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.364 3.321 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.728 1.819 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.878 2.074 -11.454 1.00 0.00 H new ATOM 679 N VAL A 42 -13.382 2.970 -6.228 1.00 0.00 N ATOM 680 CA VAL A 42 -14.238 3.251 -5.157 1.00 0.00 C ATOM 681 C VAL A 42 -13.528 4.347 -4.355 1.00 0.00 C ATOM 682 O VAL A 42 -14.128 5.128 -3.609 1.00 0.00 O ATOM 683 CB VAL A 42 -14.357 1.954 -4.343 1.00 0.00 C ATOM 684 CG1 VAL A 42 -14.962 2.202 -3.025 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.144 0.903 -5.111 1.00 0.00 C ATOM 0 H VAL A 42 -12.829 2.125 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.236 3.581 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.349 1.573 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.032 1.264 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.343 2.905 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.960 2.621 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.215 -0.006 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.146 1.279 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.636 0.682 -6.050 1.00 0.00 H new ATOM 695 N ASN A 43 -12.218 4.379 -4.600 1.00 0.00 N ATOM 696 CA ASN A 43 -11.266 5.292 -4.070 1.00 0.00 C ATOM 697 C ASN A 43 -11.160 5.125 -2.569 1.00 0.00 C ATOM 698 O ASN A 43 -11.027 6.068 -1.808 1.00 0.00 O ATOM 699 CB ASN A 43 -11.624 6.687 -4.542 1.00 0.00 C ATOM 700 CG ASN A 43 -10.564 7.729 -4.260 1.00 0.00 C ATOM 701 OD1 ASN A 43 -9.645 7.896 -5.049 1.00 0.00 O ATOM 702 ND2 ASN A 43 -10.694 8.464 -3.192 1.00 0.00 N ATOM 0 H ASN A 43 -11.784 3.703 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.261 5.090 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.812 6.658 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.554 6.993 -4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.018 9.203 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.471 8.301 -2.552 1.00 0.00 H new ATOM 709 N GLY A 44 -11.225 3.890 -2.157 1.00 0.00 N ATOM 710 CA GLY A 44 -11.054 3.592 -0.757 1.00 0.00 C ATOM 711 C GLY A 44 -9.726 2.923 -0.482 1.00 0.00 C ATOM 712 O GLY A 44 -8.851 3.484 0.181 1.00 0.00 O ATOM 0 H GLY A 44 -11.392 3.082 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.123 4.513 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.864 2.944 -0.422 1.00 0.00 H new ATOM 716 N LYS A 45 -9.561 1.742 -1.020 1.00 0.00 N ATOM 717 CA LYS A 45 -8.363 0.957 -0.808 1.00 0.00 C ATOM 718 C LYS A 45 -7.406 1.146 -1.965 1.00 0.00 C ATOM 719 O LYS A 45 -7.802 1.578 -3.064 1.00 0.00 O ATOM 720 CB LYS A 45 -8.712 -0.528 -0.767 1.00 0.00 C ATOM 721 CG LYS A 45 -9.777 -0.940 0.236 1.00 0.00 C ATOM 722 CD LYS A 45 -10.186 -2.403 0.035 1.00 0.00 C ATOM 723 CE LYS A 45 -10.731 -2.643 -1.378 1.00 0.00 C ATOM 724 NZ LYS A 45 -11.188 -4.025 -1.590 1.00 0.00 N ATOM 0 H LYS A 45 -10.253 1.293 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.913 1.282 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.043 -0.830 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.802 -1.088 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.400 -0.800 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.650 -0.297 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.326 -3.050 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.944 -2.675 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.560 -1.960 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.955 -2.407 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.545 -4.127 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.394 -4.680 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.949 -4.246 -0.916 1.00 0.00 H new ATOM 738 N LEU A 46 -6.163 0.861 -1.723 1.00 0.00 N ATOM 739 CA LEU A 46 -5.213 0.783 -2.712 1.00 0.00 C ATOM 740 C LEU A 46 -4.475 -0.488 -2.446 1.00 0.00 C ATOM 741 O LEU A 46 -4.403 -0.932 -1.302 1.00 0.00 O ATOM 742 CB LEU A 46 -4.163 1.849 -2.623 1.00 0.00 C ATOM 743 CG LEU A 46 -4.506 3.344 -2.403 1.00 0.00 C ATOM 744 CD1 LEU A 46 -5.040 3.625 -0.997 1.00 0.00 C ATOM 745 CD2 LEU A 46 -3.255 4.172 -2.666 1.00 0.00 C ATOM 0 H LEU A 46 -5.802 0.675 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.718 0.866 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.495 1.560 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.586 1.795 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.302 3.616 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.264 4.687 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.948 3.046 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.289 3.342 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.479 5.228 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.466 3.867 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.923 4.014 -3.692 1.00 0.00 H new ATOM 757 N ARG A 47 -3.933 -1.037 -3.446 1.00 0.00 N ATOM 758 CA ARG A 47 -3.070 -2.187 -3.331 1.00 0.00 C ATOM 759 C ARG A 47 -1.726 -1.929 -3.875 1.00 0.00 C ATOM 760 O ARG A 47 -1.559 -1.244 -4.851 1.00 0.00 O ATOM 761 CB ARG A 47 -3.552 -3.447 -4.025 1.00 0.00 C ATOM 762 CG ARG A 47 -4.370 -3.373 -5.291 1.00 0.00 C ATOM 763 CD ARG A 47 -4.613 -4.805 -5.773 1.00 0.00 C ATOM 764 NE ARG A 47 -5.427 -4.945 -6.984 1.00 0.00 N ATOM 765 CZ ARG A 47 -5.490 -6.060 -7.766 1.00 0.00 C ATOM 766 NH1 ARG A 47 -4.736 -7.122 -7.495 1.00 0.00 N ATOM 767 NH2 ARG A 47 -6.348 -6.115 -8.785 1.00 0.00 N ATOM 0 H ARG A 47 -4.063 -0.712 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.066 -2.356 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.669 -4.045 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.140 -4.007 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.317 -2.866 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.844 -2.797 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.647 -5.276 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.095 -5.361 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.992 -4.143 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.103 -7.107 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.791 -7.951 -8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.959 -5.322 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.394 -6.950 -9.369 1.00 0.00 H new ATOM 781 N MET A 48 -0.805 -2.510 -3.240 1.00 0.00 N ATOM 782 CA MET A 48 0.525 -2.599 -3.648 1.00 0.00 C ATOM 783 C MET A 48 0.681 -3.999 -4.096 1.00 0.00 C ATOM 784 O MET A 48 0.461 -4.920 -3.308 1.00 0.00 O ATOM 785 CB MET A 48 1.466 -2.514 -2.438 1.00 0.00 C ATOM 786 CG MET A 48 1.411 -1.292 -1.576 1.00 0.00 C ATOM 787 SD MET A 48 2.492 -1.464 -0.140 1.00 0.00 S ATOM 788 CE MET A 48 4.080 -1.778 -0.923 1.00 0.00 C ATOM 0 H MET A 48 -0.973 -2.975 -2.348 1.00 0.00 H new ATOM 0 HA MET A 48 0.746 -1.821 -4.379 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.268 -3.377 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.487 -2.616 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.708 -0.419 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.386 -1.121 -1.246 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.880 -1.392 -0.291 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.212 -2.851 -1.060 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.112 -1.282 -1.893 1.00 0.00 H new ATOM 798 N LEU A 49 1.003 -4.195 -5.281 1.00 0.00 N ATOM 799 CA LEU A 49 1.457 -5.481 -5.647 1.00 0.00 C ATOM 800 C LEU A 49 2.753 -5.381 -6.337 1.00 0.00 C ATOM 801 O LEU A 49 3.023 -4.422 -7.069 1.00 0.00 O ATOM 802 CB LEU A 49 0.477 -6.304 -6.434 1.00 0.00 C ATOM 803 CG LEU A 49 0.014 -5.813 -7.833 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.022 -6.139 -8.923 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.347 -6.388 -8.179 1.00 0.00 C ATOM 0 H LEU A 49 0.970 -3.502 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 49 1.576 -6.030 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.913 -7.295 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.415 -6.426 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.063 -4.727 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.652 -5.775 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.973 -5.658 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.165 -7.218 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.653 -6.032 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.290 -7.476 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.077 -6.069 -7.435 1.00 0.00 H new ATOM 817 N MET A 50 3.552 -6.339 -6.130 1.00 0.00 N ATOM 818 CA MET A 50 4.769 -6.384 -6.631 1.00 0.00 C ATOM 819 C MET A 50 4.970 -7.702 -7.213 1.00 0.00 C ATOM 820 O MET A 50 4.771 -8.749 -6.595 1.00 0.00 O ATOM 821 CB MET A 50 5.788 -6.117 -5.576 1.00 0.00 C ATOM 822 CG MET A 50 5.309 -6.416 -4.163 1.00 0.00 C ATOM 823 SD MET A 50 4.438 -5.015 -3.404 1.00 0.00 S ATOM 824 CE MET A 50 3.735 -5.745 -1.935 1.00 0.00 C ATOM 0 H MET A 50 3.314 -7.150 -5.559 1.00 0.00 H new ATOM 0 HA MET A 50 4.883 -5.615 -7.395 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.675 -6.716 -5.782 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.089 -5.071 -5.633 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.647 -7.281 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.165 -6.685 -3.543 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.192 -4.984 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.051 -6.545 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.533 -6.153 -1.314 1.00 0.00 H new ATOM 834 N ARG A 51 5.297 -7.603 -8.349 1.00 0.00 N ATOM 835 CA ARG A 51 5.644 -8.636 -9.255 1.00 0.00 C ATOM 836 C ARG A 51 7.095 -8.576 -9.474 1.00 0.00 C ATOM 837 O ARG A 51 7.729 -7.511 -9.418 1.00 0.00 O ATOM 838 CB ARG A 51 4.923 -8.416 -10.554 1.00 0.00 C ATOM 839 CG ARG A 51 5.258 -9.313 -11.731 1.00 0.00 C ATOM 840 CD ARG A 51 4.704 -8.730 -13.020 1.00 0.00 C ATOM 841 NE ARG A 51 5.193 -7.366 -13.201 1.00 0.00 N ATOM 842 CZ ARG A 51 6.229 -6.997 -13.954 1.00 0.00 C ATOM 843 NH1 ARG A 51 6.807 -7.861 -14.779 1.00 0.00 N ATOM 844 NH2 ARG A 51 6.659 -5.751 -13.905 1.00 0.00 N ATOM 0 H ARG A 51 5.357 -6.687 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 51 5.364 -9.611 -8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.855 -8.510 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.102 -7.386 -10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.339 -9.428 -11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.843 -10.308 -11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.003 -9.348 -13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.614 -8.734 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 51 4.695 -6.627 -12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.459 -8.818 -14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.599 -7.568 -15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.199 -5.076 -13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.451 -5.462 -14.479 1.00 0.00 H new ATOM 858 N ARG A 52 7.604 -9.691 -9.714 1.00 0.00 N ATOM 859 CA ARG A 52 8.942 -9.842 -9.967 1.00 0.00 C ATOM 860 C ARG A 52 9.088 -9.584 -11.411 1.00 0.00 C ATOM 861 O ARG A 52 8.412 -10.173 -12.230 1.00 0.00 O ATOM 862 CB ARG A 52 9.429 -11.198 -9.486 1.00 0.00 C ATOM 863 CG ARG A 52 9.413 -11.356 -7.968 1.00 0.00 C ATOM 864 CD ARG A 52 9.963 -12.713 -7.525 1.00 0.00 C ATOM 865 NE ARG A 52 11.372 -12.897 -7.912 1.00 0.00 N ATOM 866 CZ ARG A 52 12.213 -13.800 -7.380 1.00 0.00 C ATOM 867 NH1 ARG A 52 11.820 -14.581 -6.379 1.00 0.00 N ATOM 868 NH2 ARG A 52 13.450 -13.910 -7.857 1.00 0.00 N ATOM 0 H ARG A 52 7.073 -10.562 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 52 9.579 -9.147 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.807 -11.975 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.445 -11.358 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.004 -10.560 -7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.392 -11.242 -7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.871 -12.804 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.361 -13.508 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 52 11.740 -12.289 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.873 -14.498 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.465 -15.264 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.756 -13.310 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.092 -14.594 -7.457 1.00 0.00 H new ATOM 882 N GLU A 53 9.921 -8.651 -11.677 1.00 0.00 N ATOM 883 CA GLU A 53 10.127 -8.037 -13.000 1.00 0.00 C ATOM 884 C GLU A 53 10.322 -8.993 -14.080 1.00 0.00 C ATOM 885 O GLU A 53 9.440 -9.142 -14.934 1.00 0.00 O ATOM 886 CB GLU A 53 11.195 -6.956 -12.947 1.00 0.00 C ATOM 887 CG GLU A 53 10.678 -5.559 -13.255 1.00 0.00 C ATOM 888 CD GLU A 53 10.271 -5.379 -14.700 1.00 0.00 C ATOM 889 OE1 GLU A 53 11.143 -5.054 -15.537 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.076 -5.536 -15.031 1.00 0.00 O ATOM 0 H GLU A 53 10.527 -8.249 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 53 9.188 -7.548 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.647 -6.954 -11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.984 -7.205 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.822 -5.346 -12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.450 -4.830 -13.008 1.00 0.00 H new ATOM 897 N GLN A 54 11.392 -9.655 -14.092 1.00 0.00 N ATOM 898 CA GLN A 54 11.561 -10.567 -15.148 1.00 0.00 C ATOM 899 C GLN A 54 10.856 -11.895 -14.884 1.00 0.00 C ATOM 900 O GLN A 54 10.758 -12.749 -15.759 1.00 0.00 O ATOM 901 CB GLN A 54 12.998 -10.729 -15.590 1.00 0.00 C ATOM 902 CG GLN A 54 13.600 -9.476 -16.208 1.00 0.00 C ATOM 903 CD GLN A 54 12.860 -8.990 -17.452 1.00 0.00 C ATOM 904 OE1 GLN A 54 12.833 -7.799 -17.733 1.00 0.00 O ATOM 905 NE2 GLN A 54 12.302 -9.892 -18.222 1.00 0.00 N ATOM 0 H GLN A 54 12.149 -9.596 -13.411 1.00 0.00 H new ATOM 0 HA GLN A 54 11.060 -10.121 -16.007 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.601 -11.024 -14.731 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.055 -11.542 -16.314 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.603 -8.680 -15.464 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.640 -9.673 -16.468 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.340 -10.878 -17.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.830 -9.608 -19.080 1.00 0.00 H new ATOM 914 N VAL A 55 10.352 -12.040 -13.683 1.00 0.00 N ATOM 915 CA VAL A 55 9.718 -13.245 -13.254 1.00 0.00 C ATOM 916 C VAL A 55 8.188 -13.213 -13.566 1.00 0.00 C ATOM 917 O VAL A 55 7.481 -14.217 -13.442 1.00 0.00 O ATOM 918 CB VAL A 55 9.988 -13.294 -11.723 1.00 0.00 C ATOM 919 CG1 VAL A 55 9.088 -14.264 -10.990 1.00 0.00 C ATOM 920 CG2 VAL A 55 11.448 -13.655 -11.471 1.00 0.00 C ATOM 0 H VAL A 55 10.375 -11.309 -12.972 1.00 0.00 H new ATOM 0 HA VAL A 55 10.101 -14.127 -13.767 1.00 0.00 H new ATOM 0 HB VAL A 55 9.767 -12.301 -11.331 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.328 -14.250 -9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.047 -13.973 -11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.240 -15.269 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.634 -13.689 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.662 -14.631 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.093 -12.904 -11.928 1.00 0.00 H new ATOM 930 N LEU A 56 7.732 -12.057 -14.060 1.00 0.00 N ATOM 931 CA LEU A 56 6.420 -11.741 -14.529 1.00 0.00 C ATOM 932 C LEU A 56 5.272 -12.122 -13.548 1.00 0.00 C ATOM 933 O LEU A 56 4.088 -11.992 -13.843 1.00 0.00 O ATOM 934 CB LEU A 56 6.316 -12.533 -15.752 1.00 0.00 C ATOM 935 CG LEU A 56 4.995 -12.537 -16.393 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.632 -11.166 -16.985 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.791 -13.678 -17.357 1.00 0.00 C ATOM 0 H LEU A 56 8.353 -11.252 -14.140 1.00 0.00 H new ATOM 0 HA LEU A 56 6.303 -10.665 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.047 -12.160 -16.469 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.592 -13.562 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 56 4.278 -12.724 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.647 -11.219 -17.448 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.620 -10.419 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.371 -10.887 -17.736 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.793 -13.614 -17.790 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.536 -13.621 -18.151 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.897 -14.625 -16.828 1.00 0.00 H new ATOM 949 N LYS A 57 5.610 -12.458 -12.393 1.00 0.00 N ATOM 950 CA LYS A 57 4.609 -12.833 -11.454 1.00 0.00 C ATOM 951 C LYS A 57 4.598 -12.077 -10.104 1.00 0.00 C ATOM 952 O LYS A 57 5.530 -12.199 -9.306 1.00 0.00 O ATOM 953 CB LYS A 57 4.673 -14.317 -11.309 1.00 0.00 C ATOM 954 CG LYS A 57 3.512 -14.956 -10.532 1.00 0.00 C ATOM 955 CD LYS A 57 2.182 -14.791 -11.260 1.00 0.00 C ATOM 956 CE LYS A 57 1.047 -15.497 -10.527 1.00 0.00 C ATOM 957 NZ LYS A 57 -0.242 -15.407 -11.259 1.00 0.00 N ATOM 0 H LYS A 57 6.569 -12.490 -12.048 1.00 0.00 H new ATOM 0 HA LYS A 57 3.647 -12.518 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.709 -14.761 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.607 -14.576 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.715 -16.016 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.444 -14.502 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.949 -13.731 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.268 -15.192 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.308 -16.546 -10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.930 -15.059 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.944 -16.025 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.583 -14.425 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.103 -15.708 -12.245 1.00 0.00 H new ATOM 971 N VAL A 58 3.631 -11.169 -9.971 1.00 0.00 N ATOM 972 CA VAL A 58 3.120 -10.665 -8.685 1.00 0.00 C ATOM 973 C VAL A 58 3.216 -11.697 -7.559 1.00 0.00 C ATOM 974 O VAL A 58 2.738 -12.842 -7.661 1.00 0.00 O ATOM 975 CB VAL A 58 1.649 -10.155 -8.834 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.691 -11.244 -9.324 1.00 0.00 C ATOM 977 CG2 VAL A 58 1.168 -9.556 -7.535 1.00 0.00 C ATOM 0 H VAL A 58 3.165 -10.748 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 58 3.762 -9.830 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 58 1.654 -9.382 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.315 -10.833 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.019 -11.605 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.686 -12.071 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.143 -9.205 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.205 -10.312 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.809 -8.718 -7.262 1.00 0.00 H new ATOM 987 N CYS A 59 3.878 -11.297 -6.522 1.00 0.00 N ATOM 988 CA CYS A 59 4.089 -12.132 -5.396 1.00 0.00 C ATOM 989 C CYS A 59 3.262 -11.673 -4.203 1.00 0.00 C ATOM 990 O CYS A 59 2.869 -12.494 -3.395 1.00 0.00 O ATOM 991 CB CYS A 59 5.564 -12.143 -5.045 1.00 0.00 C ATOM 992 SG CYS A 59 6.638 -12.540 -6.434 1.00 0.00 S ATOM 0 H CYS A 59 4.291 -10.368 -6.437 1.00 0.00 H new ATOM 0 HA CYS A 59 3.768 -13.142 -5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.842 -11.165 -4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.733 -12.867 -4.248 1.00 0.00 H new ATOM 0 HG CYS A 59 5.999 -12.337 -7.548 1.00 0.00 H new ATOM 998 N ALA A 60 2.975 -10.365 -4.085 1.00 0.00 N ATOM 999 CA ALA A 60 2.249 -9.898 -2.958 1.00 0.00 C ATOM 1000 C ALA A 60 1.352 -8.835 -3.339 1.00 0.00 C ATOM 1001 O ALA A 60 1.766 -7.842 -3.920 1.00 0.00 O ATOM 1002 CB ALA A 60 3.085 -9.395 -1.855 1.00 0.00 C ATOM 0 H ALA A 60 3.242 -9.647 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 60 1.714 -10.776 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.446 -9.060 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.739 -10.192 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.690 -8.560 -2.209 1.00 0.00 H new ATOM 1008 N ASN A 61 0.167 -9.063 -3.060 1.00 0.00 N ATOM 1009 CA ASN A 61 -0.868 -8.121 -3.206 1.00 0.00 C ATOM 1010 C ASN A 61 -1.266 -7.618 -1.847 1.00 0.00 C ATOM 1011 O ASN A 61 -2.047 -8.237 -1.124 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.022 -8.756 -3.837 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.152 -7.816 -4.146 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.247 -7.321 -5.247 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -3.990 -7.528 -3.173 1.00 0.00 N ATOM 0 H ASN A 61 -0.152 -9.962 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.524 -7.293 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.699 -9.233 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.390 -9.546 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.751 -6.868 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.879 -7.965 -2.258 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.709 -6.558 -1.514 1.00 0.00 N ATOM 1023 CA HIS A 62 -0.930 -5.906 -0.240 1.00 0.00 C ATOM 1024 C HIS A 62 -1.792 -4.634 -0.390 1.00 0.00 C ATOM 1025 O HIS A 62 -1.417 -3.733 -1.065 1.00 0.00 O ATOM 1026 CB HIS A 62 0.465 -5.536 0.322 1.00 0.00 C ATOM 1027 CG HIS A 62 0.483 -4.670 1.540 1.00 0.00 C ATOM 1028 ND1 HIS A 62 0.624 -5.162 2.794 1.00 0.00 N ATOM 1029 CD2 HIS A 62 0.369 -3.333 1.680 1.00 0.00 C ATOM 1030 CE1 HIS A 62 0.582 -4.188 3.652 1.00 0.00 C ATOM 1031 NE2 HIS A 62 0.434 -3.062 3.004 1.00 0.00 N ATOM 0 H HIS A 62 -0.050 -6.064 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.470 -6.575 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.997 -6.459 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.027 -5.032 -0.464 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.745 -6.147 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.248 -2.613 0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.657 -4.291 4.724 1.00 0.00 H new ATOM 1039 N TRP A 63 -2.890 -4.557 0.308 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.671 -3.333 0.368 1.00 0.00 C ATOM 1041 C TRP A 63 -3.139 -2.427 1.455 1.00 0.00 C ATOM 1042 O TRP A 63 -2.714 -2.882 2.518 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.165 -3.594 0.620 1.00 0.00 C ATOM 1044 CG TRP A 63 -5.900 -4.229 -0.537 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.462 -3.578 -1.601 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.171 -5.627 -0.739 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -7.059 -4.480 -2.453 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -6.897 -5.744 -1.947 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -5.871 -6.790 -0.019 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.322 -6.973 -2.445 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.298 -8.009 -0.517 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.015 -8.091 -1.718 1.00 0.00 C ATOM 0 H TRP A 63 -3.275 -5.330 0.851 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.576 -2.855 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.265 -4.238 1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.649 -2.648 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.440 -2.509 -1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.543 -4.246 -3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.317 -6.737 0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.874 -7.041 -3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.074 -8.913 0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.333 -9.058 -2.078 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.146 -1.168 1.177 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.691 -0.179 2.069 1.00 0.00 C ATOM 1065 C ILE A 64 -3.891 0.579 2.586 1.00 0.00 C ATOM 1066 O ILE A 64 -4.694 1.117 1.810 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.545 0.719 1.422 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.333 2.089 2.125 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -1.734 0.899 -0.072 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.347 3.145 1.740 1.00 0.00 C ATOM 0 H ILE A 64 -3.482 -0.795 0.289 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.198 -0.628 2.932 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.628 0.153 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.371 1.941 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.334 2.456 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.929 1.518 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.717 -0.075 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.692 1.384 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.129 4.070 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.295 3.325 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.348 2.802 2.003 1.00 0.00 H new ATOM 1082 N THR A 65 -4.057 0.522 3.866 1.00 0.00 N ATOM 1083 CA THR A 65 -5.149 1.134 4.535 1.00 0.00 C ATOM 1084 C THR A 65 -4.705 1.680 5.852 1.00 0.00 C ATOM 1085 O THR A 65 -3.672 1.271 6.386 1.00 0.00 O ATOM 1086 CB THR A 65 -6.324 0.129 4.704 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.412 0.682 5.472 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.864 -1.200 5.305 1.00 0.00 C ATOM 0 H THR A 65 -3.416 0.033 4.491 1.00 0.00 H new ATOM 0 HA THR A 65 -5.512 1.964 3.929 1.00 0.00 H new ATOM 0 HB THR A 65 -6.695 -0.069 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.054 -0.027 5.688 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.718 -1.870 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.119 -1.656 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.426 -1.023 6.287 1.00 0.00 H new ATOM 1096 N THR A 66 -5.502 2.569 6.373 1.00 0.00 N ATOM 1097 CA THR A 66 -5.297 3.176 7.672 1.00 0.00 C ATOM 1098 C THR A 66 -5.672 2.181 8.772 1.00 0.00 C ATOM 1099 O THR A 66 -5.433 2.401 9.962 1.00 0.00 O ATOM 1100 CB THR A 66 -6.195 4.387 7.791 1.00 0.00 C ATOM 1101 OG1 THR A 66 -7.009 4.511 6.592 1.00 0.00 O ATOM 1102 CG2 THR A 66 -5.391 5.641 8.031 1.00 0.00 C ATOM 0 H THR A 66 -6.339 2.906 5.897 1.00 0.00 H new ATOM 0 HA THR A 66 -4.251 3.463 7.778 1.00 0.00 H new ATOM 0 HB THR A 66 -6.851 4.253 8.651 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.488 4.949 5.887 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.064 6.495 8.112 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.823 5.538 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.705 5.798 7.199 1.00 0.00 H new ATOM 1110 N THR A 67 -6.219 1.068 8.333 1.00 0.00 N ATOM 1111 CA THR A 67 -6.681 -0.006 9.163 1.00 0.00 C ATOM 1112 C THR A 67 -5.478 -0.899 9.519 1.00 0.00 C ATOM 1113 O THR A 67 -5.578 -1.897 10.227 1.00 0.00 O ATOM 1114 CB THR A 67 -7.738 -0.788 8.339 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.736 0.145 7.875 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.408 -1.896 9.142 1.00 0.00 C ATOM 0 H THR A 67 -6.357 0.886 7.339 1.00 0.00 H new ATOM 0 HA THR A 67 -7.127 0.348 10.092 1.00 0.00 H new ATOM 0 HB THR A 67 -7.228 -1.268 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.412 -0.333 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.138 -2.409 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.654 -2.608 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.912 -1.465 10.007 1.00 0.00 H new ATOM 1124 N MET A 68 -4.342 -0.492 9.043 1.00 0.00 N ATOM 1125 CA MET A 68 -3.173 -1.140 9.195 1.00 0.00 C ATOM 1126 C MET A 68 -2.112 -0.073 9.415 1.00 0.00 C ATOM 1127 O MET A 68 -2.370 1.124 9.253 1.00 0.00 O ATOM 1128 CB MET A 68 -2.985 -1.941 7.942 1.00 0.00 C ATOM 1129 CG MET A 68 -1.689 -2.667 7.796 1.00 0.00 C ATOM 1130 SD MET A 68 -0.423 -1.707 6.937 1.00 0.00 S ATOM 1131 CE MET A 68 -1.246 -1.379 5.381 1.00 0.00 C ATOM 0 H MET A 68 -4.252 0.370 8.506 1.00 0.00 H new ATOM 0 HA MET A 68 -3.125 -1.824 10.042 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.792 -2.671 7.881 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.097 -1.270 7.090 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.320 -2.939 8.785 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.861 -3.596 7.253 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.501 -1.207 4.604 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.863 -2.235 5.108 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.876 -0.495 5.482 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.995 -0.505 9.790 1.00 0.00 N ATOM 1142 CA ASN A 69 0.110 0.313 10.189 1.00 0.00 C ATOM 1143 C ASN A 69 1.418 -0.277 9.671 1.00 0.00 C ATOM 1144 O ASN A 69 1.570 -1.505 9.597 1.00 0.00 O ATOM 1145 CB ASN A 69 0.129 0.286 11.695 1.00 0.00 C ATOM 1146 CG ASN A 69 1.259 1.074 12.338 1.00 0.00 C ATOM 1147 OD1 ASN A 69 1.801 0.663 13.359 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.568 2.241 11.808 1.00 0.00 N ATOM 0 H ASN A 69 -0.787 -1.502 9.839 1.00 0.00 H new ATOM 0 HA ASN A 69 0.008 1.324 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.820 0.676 12.062 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.196 -0.751 12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.275 2.830 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.100 2.555 10.958 1.00 0.00 H new ATOM 1155 N LEU A 70 2.330 0.591 9.322 1.00 0.00 N ATOM 1156 CA LEU A 70 3.605 0.291 8.938 1.00 0.00 C ATOM 1157 C LEU A 70 4.541 0.256 10.143 1.00 0.00 C ATOM 1158 O LEU A 70 4.452 1.061 11.076 1.00 0.00 O ATOM 1159 CB LEU A 70 4.034 1.181 7.776 1.00 0.00 C ATOM 1160 CG LEU A 70 3.816 2.697 7.816 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.397 3.271 9.061 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.563 3.228 6.640 1.00 0.00 C ATOM 0 H LEU A 70 2.144 1.594 9.312 1.00 0.00 H new ATOM 0 HA LEU A 70 3.656 -0.721 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.101 1.017 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.526 0.810 6.886 1.00 0.00 H new ATOM 0 HG LEU A 70 2.756 2.951 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.234 4.349 9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.916 2.820 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.467 3.065 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.455 4.312 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.618 2.972 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.163 2.789 5.726 1.00 0.00 H new ATOM 1174 N LYS A 71 5.317 -0.714 10.148 1.00 0.00 N ATOM 1175 CA LYS A 71 6.221 -1.043 11.255 1.00 0.00 C ATOM 1176 C LYS A 71 7.649 -1.231 10.689 1.00 0.00 C ATOM 1177 O LYS A 71 7.795 -1.763 9.599 1.00 0.00 O ATOM 1178 CB LYS A 71 5.730 -2.362 11.897 1.00 0.00 C ATOM 1179 CG LYS A 71 6.244 -2.650 13.306 1.00 0.00 C ATOM 1180 CD LYS A 71 5.660 -1.662 14.312 1.00 0.00 C ATOM 1181 CE LYS A 71 6.081 -1.983 15.738 1.00 0.00 C ATOM 1182 NZ LYS A 71 5.430 -1.087 16.724 1.00 0.00 N ATOM 0 H LYS A 71 5.385 -1.367 9.367 1.00 0.00 H new ATOM 0 HA LYS A 71 6.233 -0.249 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.640 -2.346 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.021 -3.189 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.978 -3.667 13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.332 -2.589 13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.983 -0.652 14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.572 -1.676 14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.828 -3.018 15.966 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.164 -1.893 15.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.744 -1.339 17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.691 -0.101 16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.397 -1.191 16.659 1.00 0.00 H new ATOM 1196 N PRO A 72 8.715 -0.776 11.385 1.00 0.00 N ATOM 1197 CA PRO A 72 10.079 -0.898 10.875 1.00 0.00 C ATOM 1198 C PRO A 72 10.739 -2.256 11.184 1.00 0.00 C ATOM 1199 O PRO A 72 10.427 -2.914 12.181 1.00 0.00 O ATOM 1200 CB PRO A 72 10.818 0.237 11.571 1.00 0.00 C ATOM 1201 CG PRO A 72 10.106 0.423 12.871 1.00 0.00 C ATOM 1202 CD PRO A 72 8.688 -0.092 12.693 1.00 0.00 C ATOM 0 HA PRO A 72 10.100 -0.841 9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.867 -0.013 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.794 1.149 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.614 -0.121 13.668 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.099 1.475 13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.409 -0.776 13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.964 0.723 12.702 1.00 0.00 H new ATOM 1210 N LEU A 73 11.622 -2.659 10.302 1.00 0.00 N ATOM 1211 CA LEU A 73 12.363 -3.862 10.369 1.00 0.00 C ATOM 1212 C LEU A 73 13.820 -3.616 10.660 1.00 0.00 C ATOM 1213 O LEU A 73 14.262 -2.475 10.848 1.00 0.00 O ATOM 1214 CB LEU A 73 12.331 -4.515 9.006 1.00 0.00 C ATOM 1215 CG LEU A 73 12.126 -3.626 7.773 1.00 0.00 C ATOM 1216 CD1 LEU A 73 12.901 -4.169 6.602 1.00 0.00 C ATOM 1217 CD2 LEU A 73 10.669 -3.621 7.420 1.00 0.00 C ATOM 0 H LEU A 73 11.844 -2.109 9.472 1.00 0.00 H new ATOM 0 HA LEU A 73 11.922 -4.470 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.270 -5.053 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.535 -5.260 9.014 1.00 0.00 H new ATOM 0 HG LEU A 73 12.474 -2.618 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.746 -3.528 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.962 -4.195 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.557 -5.178 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.509 -2.992 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.344 -4.638 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.093 -3.229 8.258 1.00 0.00 H new ATOM 1229 N SER A 74 14.555 -4.700 10.659 1.00 0.00 N ATOM 1230 CA SER A 74 15.969 -4.677 10.686 1.00 0.00 C ATOM 1231 C SER A 74 16.467 -4.538 9.299 1.00 0.00 C ATOM 1232 O SER A 74 15.783 -4.939 8.349 1.00 0.00 O ATOM 1233 CB SER A 74 16.500 -5.975 11.184 1.00 0.00 C ATOM 1234 OG SER A 74 16.245 -6.152 12.569 1.00 0.00 O ATOM 0 H SER A 74 14.161 -5.641 10.639 1.00 0.00 H new ATOM 0 HA SER A 74 16.286 -3.856 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.046 -6.792 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.574 -6.022 11.003 1.00 0.00 H new ATOM 0 HG SER A 74 16.606 -7.015 12.860 1.00 0.00 H new ATOM 1240 N GLY A 75 17.624 -3.962 9.149 1.00 0.00 N ATOM 1241 CA GLY A 75 18.196 -3.890 7.850 1.00 0.00 C ATOM 1242 C GLY A 75 17.505 -2.835 6.976 1.00 0.00 C ATOM 1243 O GLY A 75 17.735 -2.728 5.755 1.00 0.00 O ATOM 0 H GLY A 75 18.176 -3.545 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.257 -3.654 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.124 -4.865 7.367 1.00 0.00 H new ATOM 1247 N SER A 76 16.644 -2.085 7.615 1.00 0.00 N ATOM 1248 CA SER A 76 15.932 -1.003 7.039 1.00 0.00 C ATOM 1249 C SER A 76 16.801 0.228 6.949 1.00 0.00 C ATOM 1250 O SER A 76 17.599 0.537 7.843 1.00 0.00 O ATOM 1251 CB SER A 76 14.719 -0.719 7.915 1.00 0.00 C ATOM 1252 OG SER A 76 13.985 0.389 7.462 1.00 0.00 O ATOM 0 H SER A 76 16.419 -2.230 8.599 1.00 0.00 H new ATOM 0 HA SER A 76 15.623 -1.265 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.073 -1.597 7.934 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.046 -0.542 8.939 1.00 0.00 H new ATOM 0 HG SER A 76 13.027 0.218 7.582 1.00 0.00 H new ATOM 1258 N ASP A 77 16.662 0.875 5.845 1.00 0.00 N ATOM 1259 CA ASP A 77 17.238 2.141 5.560 1.00 0.00 C ATOM 1260 C ASP A 77 16.149 3.070 5.912 1.00 0.00 C ATOM 1261 O ASP A 77 16.303 4.006 6.687 1.00 0.00 O ATOM 1262 CB ASP A 77 17.491 2.307 4.053 1.00 0.00 C ATOM 1263 CG ASP A 77 17.408 1.009 3.309 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.282 0.493 3.178 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.467 0.462 2.883 1.00 0.00 O ATOM 0 H ASP A 77 16.109 0.511 5.069 1.00 0.00 H new ATOM 0 HA ASP A 77 18.183 2.289 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.763 3.005 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.476 2.747 3.900 1.00 0.00 H new ATOM 1270 N ARG A 78 15.009 2.747 5.329 1.00 0.00 N ATOM 1271 CA ARG A 78 13.763 3.390 5.594 1.00 0.00 C ATOM 1272 C ARG A 78 12.661 2.550 4.972 1.00 0.00 C ATOM 1273 O ARG A 78 11.724 3.033 4.370 1.00 0.00 O ATOM 1274 CB ARG A 78 13.749 4.833 5.127 1.00 0.00 C ATOM 1275 CG ARG A 78 12.825 5.703 5.957 1.00 0.00 C ATOM 1276 CD ARG A 78 13.271 5.718 7.413 1.00 0.00 C ATOM 1277 NE ARG A 78 12.449 6.570 8.246 1.00 0.00 N ATOM 1278 CZ ARG A 78 12.293 6.413 9.568 1.00 0.00 C ATOM 1279 NH1 ARG A 78 12.847 5.369 10.192 1.00 0.00 N ATOM 1280 NH2 ARG A 78 11.589 7.294 10.263 1.00 0.00 N ATOM 0 H ARG A 78 14.937 2.002 4.636 1.00 0.00 H new ATOM 0 HA ARG A 78 13.598 3.452 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.761 5.236 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.438 4.871 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.820 6.719 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.804 5.329 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.246 4.702 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.306 6.055 7.467 1.00 0.00 H new ATOM 0 HE ARG A 78 11.955 7.341 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.391 4.688 9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.726 5.253 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.165 8.093 9.792 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.471 7.173 11.269 1.00 0.00 H new ATOM 1294 N ALA A 79 12.755 1.305 5.270 1.00 0.00 N ATOM 1295 CA ALA A 79 11.917 0.258 4.764 1.00 0.00 C ATOM 1296 C ALA A 79 10.999 -0.162 5.889 1.00 0.00 C ATOM 1297 O ALA A 79 11.426 -0.205 7.061 1.00 0.00 O ATOM 1298 CB ALA A 79 12.804 -0.913 4.474 1.00 0.00 C ATOM 0 H ALA A 79 13.464 0.959 5.916 1.00 0.00 H new ATOM 0 HA ALA A 79 11.362 0.579 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.204 -1.736 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.552 -0.628 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.302 -1.228 5.391 1.00 0.00 H new ATOM 1304 N TRP A 80 9.782 -0.489 5.581 1.00 0.00 N ATOM 1305 CA TRP A 80 8.804 -0.769 6.587 1.00 0.00 C ATOM 1306 C TRP A 80 8.016 -1.949 6.137 1.00 0.00 C ATOM 1307 O TRP A 80 8.078 -2.343 4.943 1.00 0.00 O ATOM 1308 CB TRP A 80 7.867 0.448 6.904 1.00 0.00 C ATOM 1309 CG TRP A 80 8.578 1.690 7.429 1.00 0.00 C ATOM 1310 CD1 TRP A 80 9.465 2.477 6.757 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.420 2.301 8.720 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.920 3.480 7.563 1.00 0.00 N ATOM 1313 CE2 TRP A 80 9.281 3.410 8.765 1.00 0.00 C ATOM 1314 CE3 TRP A 80 7.651 2.015 9.840 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 9.392 4.226 9.886 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 7.756 2.831 10.951 1.00 0.00 C ATOM 1317 CH2 TRP A 80 8.622 3.922 10.964 1.00 0.00 C ATOM 0 H TRP A 80 9.438 -0.569 4.624 1.00 0.00 H new ATOM 0 HA TRP A 80 9.321 -0.978 7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.324 0.715 5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 80 7.126 0.134 7.639 1.00 0.00 H new ATOM 0 HD1 TRP A 80 9.766 2.328 5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.625 4.171 7.307 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.981 1.168 9.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.065 5.070 9.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.156 2.619 11.824 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.683 4.539 11.848 1.00 0.00 H new ATOM 1328 N MET A 81 7.353 -2.550 7.057 1.00 0.00 N ATOM 1329 CA MET A 81 6.582 -3.649 6.821 1.00 0.00 C ATOM 1330 C MET A 81 5.255 -3.292 7.208 1.00 0.00 C ATOM 1331 O MET A 81 5.030 -2.553 8.168 1.00 0.00 O ATOM 1332 CB MET A 81 7.033 -4.913 7.537 1.00 0.00 C ATOM 1333 CG MET A 81 7.184 -4.827 9.047 1.00 0.00 C ATOM 1334 SD MET A 81 7.715 -6.389 9.777 1.00 0.00 S ATOM 1335 CE MET A 81 7.822 -5.938 11.507 1.00 0.00 C ATOM 0 H MET A 81 7.353 -2.251 8.032 1.00 0.00 H new ATOM 0 HA MET A 81 6.660 -3.909 5.765 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.319 -5.705 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.991 -5.219 7.116 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.908 -4.050 9.293 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.233 -4.528 9.488 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.140 -6.803 12.089 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.546 -5.132 11.629 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.845 -5.604 11.857 1.00 0.00 H new ATOM 1345 N TRP A 82 4.418 -3.736 6.479 1.00 0.00 N ATOM 1346 CA TRP A 82 3.091 -3.423 6.587 1.00 0.00 C ATOM 1347 C TRP A 82 2.348 -4.721 6.466 1.00 0.00 C ATOM 1348 O TRP A 82 2.832 -5.635 5.787 1.00 0.00 O ATOM 1349 CB TRP A 82 2.720 -2.357 5.525 1.00 0.00 C ATOM 1350 CG TRP A 82 3.648 -2.322 4.310 1.00 0.00 C ATOM 1351 CD1 TRP A 82 3.750 -3.246 3.318 1.00 0.00 C ATOM 1352 CD2 TRP A 82 4.598 -1.291 3.980 1.00 0.00 C ATOM 1353 NE1 TRP A 82 4.695 -2.865 2.406 1.00 0.00 N ATOM 1354 CE2 TRP A 82 5.229 -1.670 2.787 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.974 -0.089 4.577 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 6.210 -0.892 2.182 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.946 0.682 3.976 1.00 0.00 C ATOM 1358 CH2 TRP A 82 6.554 0.278 2.790 1.00 0.00 C ATOM 0 H TRP A 82 4.626 -4.383 5.719 1.00 0.00 H new ATOM 0 HA TRP A 82 2.825 -2.965 7.540 1.00 0.00 H new ATOM 0 HB2 TRP A 82 1.702 -2.542 5.183 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.724 -1.375 5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 82 3.167 -4.153 3.259 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.958 -3.391 1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.510 0.234 5.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 6.683 -1.204 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.241 1.615 4.433 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.313 0.904 2.344 1.00 0.00 H new ATOM 1369 N LEU A 83 1.227 -4.859 7.085 1.00 0.00 N ATOM 1370 CA LEU A 83 0.615 -6.154 7.056 1.00 0.00 C ATOM 1371 C LEU A 83 -0.685 -6.226 6.254 1.00 0.00 C ATOM 1372 O LEU A 83 -1.555 -5.372 6.374 1.00 0.00 O ATOM 1373 CB LEU A 83 0.538 -6.803 8.456 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.160 -6.023 9.600 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -1.676 -6.021 9.467 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.257 -6.584 10.950 1.00 0.00 C ATOM 0 H LEU A 83 0.728 -4.132 7.598 1.00 0.00 H new ATOM 0 HA LEU A 83 1.294 -6.781 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.028 -7.760 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.557 -7.019 8.777 1.00 0.00 H new ATOM 0 HG LEU A 83 0.164 -4.985 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.113 -5.461 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.958 -5.554 8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.044 -7.047 9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.240 -6.027 11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.027 -7.635 11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.337 -6.493 11.064 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.761 -7.200 5.393 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.946 -7.426 4.573 1.00 0.00 C ATOM 1390 C ALA A 84 -2.169 -8.859 4.362 1.00 0.00 C ATOM 1391 O ALA A 84 -1.285 -9.677 4.578 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.844 -6.810 3.202 1.00 0.00 C ATOM 0 H ALA A 84 -0.008 -7.869 5.230 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.763 -6.961 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.757 -7.014 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.709 -5.732 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.992 -7.237 2.674 1.00 0.00 H new ATOM 1398 N SER A 85 -3.331 -9.180 3.965 1.00 0.00 N ATOM 1399 CA SER A 85 -3.574 -10.409 3.452 1.00 0.00 C ATOM 1400 C SER A 85 -3.265 -10.394 2.011 1.00 0.00 C ATOM 1401 O SER A 85 -3.925 -9.753 1.190 1.00 0.00 O ATOM 1402 CB SER A 85 -4.950 -10.805 3.740 1.00 0.00 C ATOM 1403 OG SER A 85 -5.646 -9.751 4.432 1.00 0.00 O ATOM 0 H SER A 85 -4.142 -8.563 3.999 1.00 0.00 H new ATOM 0 HA SER A 85 -2.933 -11.158 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.468 -11.041 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.954 -11.711 4.347 1.00 0.00 H new ATOM 0 HG SER A 85 -6.567 -10.032 4.616 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.225 -11.086 1.738 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.722 -11.188 0.466 1.00 0.00 C ATOM 1411 C ASP A 86 -2.192 -12.448 -0.173 1.00 0.00 C ATOM 1412 O ASP A 86 -1.976 -13.548 0.353 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.189 -11.100 0.401 1.00 0.00 C ATOM 1414 CG ASP A 86 0.373 -11.887 -0.788 1.00 0.00 C ATOM 1415 OD1 ASP A 86 0.079 -11.552 -1.969 1.00 0.00 O ATOM 1416 OD2 ASP A 86 1.068 -12.899 -0.557 1.00 0.00 O ATOM 0 H ASP A 86 -1.697 -11.609 2.437 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.102 -10.327 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.113 -10.056 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.237 -11.486 1.327 1.00 0.00 H new ATOM 1421 N PHE A 87 -2.863 -12.290 -1.247 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.239 -13.307 -2.076 1.00 0.00 C ATOM 1423 C PHE A 87 -3.375 -12.785 -3.459 1.00 0.00 C ATOM 1424 O PHE A 87 -4.436 -12.374 -3.906 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.435 -14.037 -1.559 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.561 -13.225 -0.925 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.507 -12.580 -1.709 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -5.676 -13.131 0.455 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -7.535 -11.858 -1.136 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.706 -12.413 1.033 1.00 0.00 C ATOM 1431 CZ PHE A 87 -7.634 -11.775 0.237 1.00 0.00 C ATOM 0 H PHE A 87 -3.173 -11.374 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.463 -14.072 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.860 -14.606 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.089 -14.760 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.438 -12.644 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.951 -13.625 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.260 -11.359 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.784 -12.352 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.437 -11.211 0.688 1.00 0.00 H new ATOM 1441 N SER A 88 -2.241 -12.663 -4.070 1.00 0.00 N ATOM 1442 CA SER A 88 -2.128 -12.122 -5.393 1.00 0.00 C ATOM 1443 C SER A 88 -2.743 -13.080 -6.354 1.00 0.00 C ATOM 1444 O SER A 88 -3.466 -12.698 -7.290 1.00 0.00 O ATOM 1445 CB SER A 88 -0.659 -11.981 -5.711 1.00 0.00 C ATOM 1446 OG SER A 88 -0.018 -11.190 -4.769 1.00 0.00 O ATOM 0 H SER A 88 -1.349 -12.940 -3.659 1.00 0.00 H new ATOM 0 HA SER A 88 -2.629 -11.157 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.194 -12.966 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.539 -11.542 -6.701 1.00 0.00 H new ATOM 0 HG SER A 88 -0.025 -11.645 -3.901 1.00 0.00 H new ATOM 1452 N ASP A 89 -2.474 -14.331 -6.031 1.00 0.00 N ATOM 1453 CA ASP A 89 -2.840 -15.511 -6.748 1.00 0.00 C ATOM 1454 C ASP A 89 -1.919 -16.574 -6.185 1.00 0.00 C ATOM 1455 O ASP A 89 -1.465 -17.477 -6.879 1.00 0.00 O ATOM 1456 CB ASP A 89 -2.539 -15.292 -8.229 1.00 0.00 C ATOM 1457 CG ASP A 89 -2.927 -16.422 -9.174 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -4.126 -16.759 -9.279 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -2.031 -16.930 -9.896 1.00 0.00 O ATOM 0 H ASP A 89 -1.948 -14.553 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.893 -15.777 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.052 -14.386 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.470 -15.109 -8.337 1.00 0.00 H new ATOM 1464 N GLY A 90 -1.647 -16.481 -4.886 1.00 0.00 N ATOM 1465 CA GLY A 90 -0.635 -17.329 -4.358 1.00 0.00 C ATOM 1466 C GLY A 90 -1.179 -18.233 -3.387 1.00 0.00 C ATOM 1467 O GLY A 90 -1.016 -19.455 -3.467 1.00 0.00 O ATOM 0 H GLY A 90 -2.100 -15.852 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.170 -17.894 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.148 -16.725 -3.900 1.00 0.00 H new ATOM 1471 N ASP A 91 -1.849 -17.648 -2.507 1.00 0.00 N ATOM 1472 CA ASP A 91 -2.469 -18.315 -1.382 1.00 0.00 C ATOM 1473 C ASP A 91 -3.131 -17.289 -0.571 1.00 0.00 C ATOM 1474 O ASP A 91 -2.614 -16.188 -0.488 1.00 0.00 O ATOM 1475 CB ASP A 91 -1.379 -18.966 -0.556 1.00 0.00 C ATOM 1476 CG ASP A 91 -1.817 -19.545 0.774 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -2.613 -20.506 0.783 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -1.345 -19.080 1.826 1.00 0.00 O ATOM 0 H ASP A 91 -2.011 -16.641 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.185 -19.067 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.928 -19.763 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.600 -18.227 -0.370 1.00 0.00 H new ATOM 1483 N ALA A 92 -4.258 -17.607 0.016 1.00 0.00 N ATOM 1484 CA ALA A 92 -4.917 -16.649 0.866 1.00 0.00 C ATOM 1485 C ALA A 92 -4.136 -16.599 2.137 1.00 0.00 C ATOM 1486 O ALA A 92 -4.272 -17.469 3.007 1.00 0.00 O ATOM 1487 CB ALA A 92 -6.359 -17.054 1.134 1.00 0.00 C ATOM 0 H ALA A 92 -4.731 -18.506 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.953 -15.670 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.831 -16.312 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.902 -17.113 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.378 -18.027 1.626 1.00 0.00 H new ATOM 1493 N LYS A 93 -3.301 -15.617 2.244 1.00 0.00 N ATOM 1494 CA LYS A 93 -2.371 -15.583 3.346 1.00 0.00 C ATOM 1495 C LYS A 93 -2.343 -14.214 3.925 1.00 0.00 C ATOM 1496 O LYS A 93 -2.668 -13.268 3.263 1.00 0.00 O ATOM 1497 CB LYS A 93 -0.977 -15.843 2.818 1.00 0.00 C ATOM 1498 CG LYS A 93 0.007 -16.465 3.792 1.00 0.00 C ATOM 1499 CD LYS A 93 1.438 -16.473 3.218 1.00 0.00 C ATOM 1500 CE LYS A 93 1.589 -17.298 1.924 1.00 0.00 C ATOM 1501 NZ LYS A 93 1.272 -18.731 2.114 1.00 0.00 N ATOM 0 H LYS A 93 -3.236 -14.833 1.595 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.673 -16.325 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.057 -16.496 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.562 -14.898 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.007 -15.910 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.301 -17.485 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.745 -15.446 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.119 -16.870 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.934 -16.885 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.610 -17.203 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.551 -19.264 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.792 -19.095 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.250 -18.842 2.273 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.000 -14.120 5.146 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.731 -12.853 5.733 1.00 0.00 C ATOM 1517 C LEU A 94 -0.255 -12.755 5.937 1.00 0.00 C ATOM 1518 O LEU A 94 0.387 -13.731 6.352 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.636 -12.453 6.950 1.00 0.00 C ATOM 1520 CG LEU A 94 -2.470 -13.165 8.337 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -2.577 -14.681 8.245 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -1.204 -12.728 9.079 1.00 0.00 C ATOM 0 H LEU A 94 -1.895 -14.914 5.777 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.038 -12.066 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.494 -11.385 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.672 -12.592 6.640 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.317 -12.832 8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.454 -15.115 9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.555 -14.953 7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.799 -15.061 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.141 -13.253 10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.328 -12.966 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.240 -11.653 9.258 1.00 0.00 H new ATOM 1534 N GLU A 95 0.287 -11.658 5.605 1.00 0.00 N ATOM 1535 CA GLU A 95 1.630 -11.484 5.578 1.00 0.00 C ATOM 1536 C GLU A 95 1.917 -10.148 6.034 1.00 0.00 C ATOM 1537 O GLU A 95 1.213 -9.181 5.735 1.00 0.00 O ATOM 1538 CB GLU A 95 2.155 -11.698 4.167 1.00 0.00 C ATOM 1539 CG GLU A 95 3.675 -11.766 4.057 1.00 0.00 C ATOM 1540 CD GLU A 95 4.247 -13.026 4.647 1.00 0.00 C ATOM 1541 OE1 GLU A 95 4.364 -13.138 5.882 1.00 0.00 O ATOM 1542 OE2 GLU A 95 4.598 -13.941 3.866 1.00 0.00 O ATOM 0 H GLU A 95 -0.243 -10.829 5.335 1.00 0.00 H new ATOM 0 HA GLU A 95 2.121 -12.208 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.734 -12.623 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.794 -10.888 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.962 -11.699 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.110 -10.904 4.562 1.00 0.00 H new ATOM 1549 N GLN A 96 2.893 -10.094 6.759 1.00 0.00 N ATOM 1550 CA GLN A 96 3.424 -8.934 7.115 1.00 0.00 C ATOM 1551 C GLN A 96 4.560 -8.887 6.177 1.00 0.00 C ATOM 1552 O GLN A 96 5.459 -9.727 6.225 1.00 0.00 O ATOM 1553 CB GLN A 96 3.928 -8.936 8.551 1.00 0.00 C ATOM 1554 CG GLN A 96 2.914 -9.360 9.594 1.00 0.00 C ATOM 1555 CD GLN A 96 3.532 -9.437 10.961 1.00 0.00 C ATOM 1556 OE1 GLN A 96 4.039 -10.478 11.367 1.00 0.00 O ATOM 1557 NE2 GLN A 96 3.510 -8.344 11.674 1.00 0.00 N ATOM 0 H GLN A 96 3.368 -10.912 7.140 1.00 0.00 H new ATOM 0 HA GLN A 96 2.729 -8.096 7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.790 -9.600 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.279 -7.934 8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.086 -8.652 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.499 -10.331 9.326 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.078 -7.499 11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.925 -8.335 12.606 1.00 0.00 H new ATOM 1566 N LEU A 97 4.501 -8.016 5.335 1.00 0.00 N ATOM 1567 CA LEU A 97 5.470 -7.936 4.328 1.00 0.00 C ATOM 1568 C LEU A 97 6.147 -6.647 4.316 1.00 0.00 C ATOM 1569 O LEU A 97 5.573 -5.612 4.653 1.00 0.00 O ATOM 1570 CB LEU A 97 4.899 -8.353 2.973 1.00 0.00 C ATOM 1571 CG LEU A 97 3.614 -7.673 2.494 1.00 0.00 C ATOM 1572 CD1 LEU A 97 3.906 -6.345 1.827 1.00 0.00 C ATOM 1573 CD2 LEU A 97 2.841 -8.596 1.578 1.00 0.00 C ATOM 0 H LEU A 97 3.774 -7.302 5.291 1.00 0.00 H new ATOM 0 HA LEU A 97 6.253 -8.659 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.668 -8.182 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.717 -9.427 3.004 1.00 0.00 H new ATOM 0 HG LEU A 97 2.994 -7.462 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.972 -5.889 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.403 -5.683 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.554 -6.505 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.930 -8.099 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.454 -8.847 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.581 -9.508 2.115 1.00 0.00 H new ATOM 1585 N ALA A 98 7.348 -6.704 3.948 1.00 0.00 N ATOM 1586 CA ALA A 98 8.169 -5.553 3.938 1.00 0.00 C ATOM 1587 C ALA A 98 8.616 -5.273 2.564 1.00 0.00 C ATOM 1588 O ALA A 98 8.641 -6.173 1.715 1.00 0.00 O ATOM 1589 CB ALA A 98 9.375 -5.726 4.842 1.00 0.00 C ATOM 0 H ALA A 98 7.811 -7.558 3.637 1.00 0.00 H new ATOM 0 HA ALA A 98 7.581 -4.715 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.985 -4.823 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.041 -5.904 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.967 -6.576 4.501 1.00 0.00 H new ATOM 1595 N ALA A 99 8.938 -4.063 2.317 1.00 0.00 N ATOM 1596 CA ALA A 99 9.501 -3.711 1.058 1.00 0.00 C ATOM 1597 C ALA A 99 10.498 -2.645 1.289 1.00 0.00 C ATOM 1598 O ALA A 99 10.272 -1.757 2.120 1.00 0.00 O ATOM 1599 CB ALA A 99 8.439 -3.265 0.067 1.00 0.00 C ATOM 0 H ALA A 99 8.823 -3.288 2.970 1.00 0.00 H new ATOM 0 HA ALA A 99 9.979 -4.585 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.911 -3.006 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.727 -4.075 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.916 -2.394 0.462 1.00 0.00 H new ATOM 1605 N LYS A 100 11.608 -2.723 0.628 1.00 0.00 N ATOM 1606 CA LYS A 100 12.557 -1.762 0.774 1.00 0.00 C ATOM 1607 C LYS A 100 12.998 -1.299 -0.516 1.00 0.00 C ATOM 1608 O LYS A 100 13.077 -2.042 -1.506 1.00 0.00 O ATOM 1609 CB LYS A 100 13.744 -2.153 1.631 1.00 0.00 C ATOM 1610 CG LYS A 100 14.622 -3.296 1.170 1.00 0.00 C ATOM 1611 CD LYS A 100 15.862 -3.434 2.059 1.00 0.00 C ATOM 1612 CE LYS A 100 16.769 -2.213 1.943 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.962 -2.284 2.821 1.00 0.00 N ATOM 0 H LYS A 100 11.847 -3.473 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 100 12.068 -0.957 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.377 -1.273 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.368 -2.403 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.053 -4.226 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.928 -3.129 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.555 -3.564 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.416 -4.329 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 100 17.094 -2.107 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.197 -1.319 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.387 -1.339 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.680 -2.623 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.657 -2.940 2.410 1.00 0.00 H new ATOM 1627 N PHE A 101 13.205 -0.103 -0.509 1.00 0.00 N ATOM 1628 CA PHE A 101 13.723 0.608 -1.603 1.00 0.00 C ATOM 1629 C PHE A 101 15.222 0.731 -1.457 1.00 0.00 C ATOM 1630 O PHE A 101 15.778 0.389 -0.417 1.00 0.00 O ATOM 1631 CB PHE A 101 13.007 1.935 -1.754 1.00 0.00 C ATOM 1632 CG PHE A 101 11.613 1.772 -2.286 1.00 0.00 C ATOM 1633 CD1 PHE A 101 11.389 1.765 -3.652 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.539 1.607 -1.433 1.00 0.00 C ATOM 1635 CE1 PHE A 101 10.121 1.602 -4.158 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.267 1.440 -1.934 1.00 0.00 C ATOM 1637 CZ PHE A 101 9.056 1.439 -3.300 1.00 0.00 C ATOM 0 H PHE A 101 13.016 0.485 0.302 1.00 0.00 H new ATOM 0 HA PHE A 101 13.543 0.068 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.968 2.437 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.577 2.579 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.221 1.889 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.698 1.609 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 101 9.960 1.602 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.434 1.310 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.058 1.311 -3.694 1.00 0.00 H new ATOM 1647 N LYS A 102 15.864 1.196 -2.484 1.00 0.00 N ATOM 1648 CA LYS A 102 17.315 1.194 -2.547 1.00 0.00 C ATOM 1649 C LYS A 102 17.951 2.227 -1.641 1.00 0.00 C ATOM 1650 O LYS A 102 19.011 1.997 -1.071 1.00 0.00 O ATOM 1651 CB LYS A 102 17.811 1.318 -3.999 1.00 0.00 C ATOM 1652 CG LYS A 102 17.502 0.085 -4.880 1.00 0.00 C ATOM 1653 CD LYS A 102 16.016 -0.070 -5.238 1.00 0.00 C ATOM 1654 CE LYS A 102 15.578 0.930 -6.300 1.00 0.00 C ATOM 1655 NZ LYS A 102 16.317 0.753 -7.567 1.00 0.00 N ATOM 0 H LYS A 102 15.409 1.590 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 102 17.640 0.226 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.356 2.198 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.888 1.484 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.082 0.154 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.836 -0.813 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.833 -1.083 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.411 0.065 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.510 0.817 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.732 1.943 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.784 1.193 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.252 1.203 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.436 -0.262 -7.761 1.00 0.00 H new ATOM 1669 N THR A 103 17.310 3.335 -1.498 1.00 0.00 N ATOM 1670 CA THR A 103 17.795 4.399 -0.661 1.00 0.00 C ATOM 1671 C THR A 103 16.652 4.841 0.231 1.00 0.00 C ATOM 1672 O THR A 103 15.486 4.604 -0.130 1.00 0.00 O ATOM 1673 CB THR A 103 18.193 5.592 -1.548 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.068 5.928 -2.386 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.391 5.258 -2.424 1.00 0.00 C ATOM 0 H THR A 103 16.424 3.539 -1.960 1.00 0.00 H new ATOM 0 HA THR A 103 18.651 4.063 -0.075 1.00 0.00 H new ATOM 0 HB THR A 103 18.469 6.431 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.348 6.577 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.645 6.122 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.241 4.997 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.146 4.414 -3.069 1.00 0.00 H new ATOM 1683 N PRO A 104 16.917 5.498 1.399 1.00 0.00 N ATOM 1684 CA PRO A 104 15.859 6.078 2.230 1.00 0.00 C ATOM 1685 C PRO A 104 15.125 7.184 1.525 1.00 0.00 C ATOM 1686 O PRO A 104 14.255 7.709 2.021 1.00 0.00 O ATOM 1687 CB PRO A 104 16.572 6.665 3.425 1.00 0.00 C ATOM 1688 CG PRO A 104 17.863 5.934 3.481 1.00 0.00 C ATOM 1689 CD PRO A 104 18.234 5.666 2.039 1.00 0.00 C ATOM 0 HA PRO A 104 15.122 5.317 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.727 7.737 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.996 6.525 4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.629 6.527 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 104 17.764 5.004 4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.795 6.493 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.852 4.774 1.938 1.00 0.00 H new ATOM 1697 N GLU A 105 15.566 7.551 0.410 1.00 0.00 N ATOM 1698 CA GLU A 105 14.879 8.513 -0.401 1.00 0.00 C ATOM 1699 C GLU A 105 13.632 7.854 -0.929 1.00 0.00 C ATOM 1700 O GLU A 105 12.525 8.287 -0.694 1.00 0.00 O ATOM 1701 CB GLU A 105 15.746 9.015 -1.541 1.00 0.00 C ATOM 1702 CG GLU A 105 15.056 10.069 -2.374 1.00 0.00 C ATOM 1703 CD GLU A 105 15.861 10.503 -3.547 1.00 0.00 C ATOM 1704 OE1 GLU A 105 16.714 11.405 -3.402 1.00 0.00 O ATOM 1705 OE2 GLU A 105 15.634 9.990 -4.652 1.00 0.00 O ATOM 0 H GLU A 105 16.432 7.201 0.000 1.00 0.00 H new ATOM 0 HA GLU A 105 14.629 9.387 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.671 9.425 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.022 8.176 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.099 9.680 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.840 10.935 -1.748 1.00 0.00 H new ATOM 1712 N LEU A 106 13.858 6.710 -1.538 1.00 0.00 N ATOM 1713 CA LEU A 106 12.834 5.947 -2.177 1.00 0.00 C ATOM 1714 C LEU A 106 11.999 5.303 -1.122 1.00 0.00 C ATOM 1715 O LEU A 106 10.780 5.267 -1.193 1.00 0.00 O ATOM 1716 CB LEU A 106 13.486 4.925 -3.102 1.00 0.00 C ATOM 1717 CG LEU A 106 14.187 5.483 -4.340 1.00 0.00 C ATOM 1718 CD1 LEU A 106 14.907 4.370 -5.073 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.180 6.154 -5.268 1.00 0.00 C ATOM 0 H LEU A 106 14.783 6.284 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 106 12.185 6.577 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.214 4.356 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.720 4.223 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 106 14.915 6.229 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.404 4.776 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.649 3.920 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.187 3.611 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.697 6.545 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.433 5.425 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.689 6.972 -4.741 1.00 0.00 H new ATOM 1731 N ALA A 107 12.686 4.865 -0.115 1.00 0.00 N ATOM 1732 CA ALA A 107 12.116 4.239 1.022 1.00 0.00 C ATOM 1733 C ALA A 107 11.369 5.269 1.890 1.00 0.00 C ATOM 1734 O ALA A 107 10.217 5.038 2.251 1.00 0.00 O ATOM 1735 CB ALA A 107 13.242 3.567 1.765 1.00 0.00 C ATOM 0 H ALA A 107 13.702 4.940 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 107 11.372 3.495 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.848 3.070 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.717 2.830 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.977 4.314 2.065 1.00 0.00 H new ATOM 1741 N GLU A 108 11.983 6.439 2.180 1.00 0.00 N ATOM 1742 CA GLU A 108 11.279 7.416 3.067 1.00 0.00 C ATOM 1743 C GLU A 108 10.097 8.049 2.360 1.00 0.00 C ATOM 1744 O GLU A 108 9.021 8.149 2.938 1.00 0.00 O ATOM 1745 CB GLU A 108 12.219 8.484 3.699 1.00 0.00 C ATOM 1746 CG GLU A 108 11.548 9.538 4.613 1.00 0.00 C ATOM 1747 CD GLU A 108 10.793 8.977 5.813 1.00 0.00 C ATOM 1748 OE1 GLU A 108 11.422 8.442 6.729 1.00 0.00 O ATOM 1749 OE2 GLU A 108 9.551 9.151 5.895 1.00 0.00 O ATOM 0 H GLU A 108 12.902 6.725 1.843 1.00 0.00 H new ATOM 0 HA GLU A 108 10.900 6.836 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.983 7.966 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.731 9.008 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.316 10.221 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.855 10.127 4.012 1.00 0.00 H new ATOM 1756 N GLU A 109 10.271 8.413 1.096 1.00 0.00 N ATOM 1757 CA GLU A 109 9.172 9.017 0.334 1.00 0.00 C ATOM 1758 C GLU A 109 8.002 8.071 0.216 1.00 0.00 C ATOM 1759 O GLU A 109 6.841 8.494 0.292 1.00 0.00 O ATOM 1760 CB GLU A 109 9.575 9.491 -1.062 1.00 0.00 C ATOM 1761 CG GLU A 109 10.519 10.671 -1.098 1.00 0.00 C ATOM 1762 CD GLU A 109 10.573 11.284 -2.473 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.616 12.003 -2.838 1.00 0.00 O ATOM 1764 OE2 GLU A 109 11.542 11.063 -3.222 1.00 0.00 O ATOM 0 H GLU A 109 11.144 8.306 0.579 1.00 0.00 H new ATOM 0 HA GLU A 109 8.884 9.899 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.041 8.659 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 109 8.672 9.753 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.196 11.420 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.517 10.351 -0.800 1.00 0.00 H new ATOM 1771 N PHE A 110 8.297 6.786 0.054 1.00 0.00 N ATOM 1772 CA PHE A 110 7.257 5.799 -0.064 1.00 0.00 C ATOM 1773 C PHE A 110 6.530 5.682 1.244 1.00 0.00 C ATOM 1774 O PHE A 110 5.329 5.661 1.264 1.00 0.00 O ATOM 1775 CB PHE A 110 7.810 4.448 -0.451 1.00 0.00 C ATOM 1776 CG PHE A 110 6.740 3.486 -0.892 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.256 3.526 -2.189 1.00 0.00 C ATOM 1778 CD2 PHE A 110 6.214 2.554 -0.015 1.00 0.00 C ATOM 1779 CE1 PHE A 110 5.272 2.655 -2.600 1.00 0.00 C ATOM 1780 CE2 PHE A 110 5.229 1.681 -0.423 1.00 0.00 C ATOM 1781 CZ PHE A 110 4.758 1.732 -1.717 1.00 0.00 C ATOM 0 H PHE A 110 9.246 6.415 0.003 1.00 0.00 H new ATOM 0 HA PHE A 110 6.575 6.122 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 110 8.534 4.574 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.347 4.023 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.655 4.248 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.579 2.510 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.904 2.696 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.827 0.958 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.986 1.048 -2.038 1.00 0.00 H new ATOM 1791 N LYS A 111 7.289 5.668 2.324 1.00 0.00 N ATOM 1792 CA LYS A 111 6.751 5.572 3.695 1.00 0.00 C ATOM 1793 C LYS A 111 5.766 6.681 3.950 1.00 0.00 C ATOM 1794 O LYS A 111 4.623 6.455 4.364 1.00 0.00 O ATOM 1795 CB LYS A 111 7.888 5.806 4.664 1.00 0.00 C ATOM 1796 CG LYS A 111 7.468 5.919 6.123 1.00 0.00 C ATOM 1797 CD LYS A 111 8.629 6.345 6.984 1.00 0.00 C ATOM 1798 CE LYS A 111 8.168 7.170 8.167 1.00 0.00 C ATOM 1799 NZ LYS A 111 7.549 8.431 7.710 1.00 0.00 N ATOM 0 H LYS A 111 8.307 5.723 2.289 1.00 0.00 H new ATOM 0 HA LYS A 111 6.280 4.597 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.603 4.989 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.409 6.720 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.656 6.640 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.085 4.960 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.163 5.464 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 111 9.333 6.925 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.451 6.600 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.015 7.389 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.669 9.161 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.007 8.743 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.535 8.277 7.537 1.00 0.00 H new ATOM 1813 N GLN A 112 6.235 7.866 3.702 1.00 0.00 N ATOM 1814 CA GLN A 112 5.455 9.093 3.888 1.00 0.00 C ATOM 1815 C GLN A 112 4.169 9.035 3.147 1.00 0.00 C ATOM 1816 O GLN A 112 3.091 9.225 3.728 1.00 0.00 O ATOM 1817 CB GLN A 112 6.178 10.236 3.301 1.00 0.00 C ATOM 1818 CG GLN A 112 7.483 10.568 3.962 1.00 0.00 C ATOM 1819 CD GLN A 112 8.164 11.754 3.330 1.00 0.00 C ATOM 1820 OE1 GLN A 112 8.952 11.613 2.412 1.00 0.00 O ATOM 1821 NE2 GLN A 112 7.867 12.926 3.817 1.00 0.00 N ATOM 0 H GLN A 112 7.181 8.031 3.359 1.00 0.00 H new ATOM 0 HA GLN A 112 5.291 9.199 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.364 10.026 2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.533 11.114 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.310 10.773 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.144 9.703 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.202 13.005 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.299 13.764 3.429 1.00 0.00 H new ATOM 1830 N LYS A 113 4.296 8.720 1.873 1.00 0.00 N ATOM 1831 CA LYS A 113 3.204 8.665 0.951 1.00 0.00 C ATOM 1832 C LYS A 113 2.265 7.611 1.409 1.00 0.00 C ATOM 1833 O LYS A 113 1.071 7.790 1.407 1.00 0.00 O ATOM 1834 CB LYS A 113 3.755 8.267 -0.408 1.00 0.00 C ATOM 1835 CG LYS A 113 2.846 8.541 -1.600 1.00 0.00 C ATOM 1836 CD LYS A 113 2.550 10.031 -1.753 1.00 0.00 C ATOM 1837 CE LYS A 113 1.798 10.317 -3.042 1.00 0.00 C ATOM 1838 NZ LYS A 113 2.604 9.966 -4.231 1.00 0.00 N ATOM 0 H LYS A 113 5.194 8.490 1.448 1.00 0.00 H new ATOM 0 HA LYS A 113 2.696 9.627 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.697 8.793 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.985 7.202 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.316 8.168 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.911 7.995 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.962 10.376 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.484 10.592 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.866 9.752 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.531 11.373 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 2.221 10.454 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.590 10.259 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 2.568 8.938 -4.384 1.00 0.00 H new ATOM 1852 N PHE A 114 2.849 6.558 1.862 1.00 0.00 N ATOM 1853 CA PHE A 114 2.122 5.342 2.271 1.00 0.00 C ATOM 1854 C PHE A 114 1.160 5.622 3.429 1.00 0.00 C ATOM 1855 O PHE A 114 -0.028 5.353 3.320 1.00 0.00 O ATOM 1856 CB PHE A 114 3.123 4.240 2.668 1.00 0.00 C ATOM 1857 CG PHE A 114 2.535 2.894 2.956 1.00 0.00 C ATOM 1858 CD1 PHE A 114 2.113 2.557 4.227 1.00 0.00 C ATOM 1859 CD2 PHE A 114 2.425 1.957 1.955 1.00 0.00 C ATOM 1860 CE1 PHE A 114 1.590 1.316 4.491 1.00 0.00 C ATOM 1861 CE2 PHE A 114 1.907 0.714 2.214 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.488 0.394 3.482 1.00 0.00 C ATOM 0 H PHE A 114 3.860 6.486 1.972 1.00 0.00 H new ATOM 0 HA PHE A 114 1.528 5.005 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 114 3.852 4.132 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 114 3.669 4.573 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.196 3.280 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.750 2.203 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.260 1.067 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.828 -0.014 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.078 -0.584 3.684 1.00 0.00 H new ATOM 1872 N GLU A 115 1.671 6.200 4.509 1.00 0.00 N ATOM 1873 CA GLU A 115 0.842 6.522 5.693 1.00 0.00 C ATOM 1874 C GLU A 115 -0.146 7.621 5.309 1.00 0.00 C ATOM 1875 O GLU A 115 -1.302 7.598 5.714 1.00 0.00 O ATOM 1876 CB GLU A 115 1.735 7.099 6.796 1.00 0.00 C ATOM 1877 CG GLU A 115 2.996 6.314 7.093 1.00 0.00 C ATOM 1878 CD GLU A 115 3.928 7.049 8.033 1.00 0.00 C ATOM 1879 OE1 GLU A 115 3.781 6.911 9.259 1.00 0.00 O ATOM 1880 OE2 GLU A 115 4.809 7.822 7.559 1.00 0.00 O ATOM 0 H GLU A 115 2.653 6.460 4.602 1.00 0.00 H new ATOM 0 HA GLU A 115 0.333 5.620 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.017 8.114 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.149 7.172 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.727 5.353 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.518 6.104 6.159 1.00 0.00 H new ATOM 1887 N GLU A 116 0.329 8.582 4.514 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.456 9.718 4.142 1.00 0.00 C ATOM 1889 C GLU A 116 -1.672 9.287 3.352 1.00 0.00 C ATOM 1890 O GLU A 116 -2.790 9.635 3.700 1.00 0.00 O ATOM 1891 CB GLU A 116 0.361 10.727 3.348 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.171 12.136 3.465 1.00 0.00 C ATOM 1893 CD GLU A 116 -0.078 12.619 4.899 1.00 0.00 C ATOM 1894 OE1 GLU A 116 1.004 13.102 5.311 1.00 0.00 O ATOM 1895 OE2 GLU A 116 -1.056 12.480 5.659 1.00 0.00 O ATOM 0 H GLU A 116 1.270 8.577 4.120 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.786 10.205 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.394 10.704 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.371 10.434 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.396 12.801 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.208 12.169 3.130 1.00 0.00 H new ATOM 1902 N CYS A 117 -1.442 8.455 2.338 1.00 0.00 N ATOM 1903 CA CYS A 117 -2.434 7.920 1.518 1.00 0.00 C ATOM 1904 C CYS A 117 -3.431 7.128 2.309 1.00 0.00 C ATOM 1905 O CYS A 117 -4.607 7.108 1.963 1.00 0.00 O ATOM 1906 CB CYS A 117 -1.795 7.102 0.469 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.850 8.051 -0.743 1.00 0.00 S ATOM 0 H CYS A 117 -0.504 8.145 2.085 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.990 8.731 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -1.132 6.378 0.943 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -2.566 6.535 -0.053 1.00 0.00 H new ATOM 0 HG CYS A 117 0.269 8.444 -0.210 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.960 6.480 3.382 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.835 5.710 4.235 1.00 0.00 C ATOM 1915 C GLN A 118 -4.965 6.598 4.734 1.00 0.00 C ATOM 1916 O GLN A 118 -6.099 6.186 4.737 1.00 0.00 O ATOM 1917 CB GLN A 118 -3.080 5.174 5.467 1.00 0.00 C ATOM 1918 CG GLN A 118 -2.043 4.133 5.236 1.00 0.00 C ATOM 1919 CD GLN A 118 -1.335 3.766 6.530 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -1.913 3.834 7.616 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -0.093 3.404 6.439 1.00 0.00 N ATOM 0 H GLN A 118 -1.981 6.481 3.668 1.00 0.00 H new ATOM 0 HA GLN A 118 -4.219 4.873 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.604 6.019 5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.815 4.768 6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.505 3.244 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.315 4.496 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.359 3.357 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.432 3.166 7.281 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.646 7.771 5.259 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.716 8.712 5.634 1.00 0.00 C ATOM 1932 C ARG A 119 -6.360 9.408 4.460 1.00 0.00 C ATOM 1933 O ARG A 119 -7.576 9.478 4.299 1.00 0.00 O ATOM 1934 CB ARG A 119 -5.287 9.766 6.666 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.830 9.273 8.027 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.404 8.749 8.011 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.434 9.794 7.613 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.153 9.841 8.016 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.662 8.894 8.803 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.360 10.812 7.592 1.00 0.00 N ATOM 0 H ARG A 119 -3.695 8.096 5.434 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.457 8.060 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.477 10.351 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -6.125 10.446 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.906 10.087 8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.500 8.483 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.145 8.372 9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.334 7.908 7.321 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.761 10.531 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.258 8.123 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.311 8.936 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.721 11.525 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.612 10.847 7.898 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.512 9.889 3.690 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.788 10.839 2.668 1.00 0.00 C ATOM 1956 C LEU A 120 -6.446 10.381 1.416 1.00 0.00 C ATOM 1957 O LEU A 120 -7.492 10.943 1.075 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.612 11.807 2.406 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.552 13.058 3.295 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.300 12.711 4.742 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.515 14.037 2.781 1.00 0.00 C ATOM 0 H LEU A 120 -4.526 9.631 3.735 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.602 11.394 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.680 11.255 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.658 12.128 1.365 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.529 13.538 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.265 13.625 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.103 12.072 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.349 12.185 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.491 14.915 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.534 13.561 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.773 14.340 1.766 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.980 9.260 0.826 1.00 0.00 N ATOM 1974 CA LEU A 121 -6.303 8.882 -0.607 1.00 0.00 C ATOM 1975 C LEU A 121 -7.786 8.722 -0.794 1.00 0.00 C ATOM 1976 O LEU A 121 -8.340 8.934 -1.861 1.00 0.00 O ATOM 1977 CB LEU A 121 -5.487 7.630 -1.064 1.00 0.00 C ATOM 1978 CG LEU A 121 -5.541 7.182 -2.566 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -6.846 6.489 -2.951 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -5.268 8.359 -3.490 1.00 0.00 C ATOM 0 H LEU A 121 -5.378 8.588 1.302 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.992 9.697 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.442 7.812 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.817 6.786 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.754 6.438 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.812 6.207 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -6.977 5.596 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.682 7.169 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -5.310 8.025 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.019 9.132 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.278 8.765 -3.280 1.00 0.00 H new ATOM 1992 N LEU A 122 -8.380 8.533 0.295 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.759 8.255 0.483 1.00 0.00 C ATOM 1994 C LEU A 122 -10.654 9.369 -0.039 1.00 0.00 C ATOM 1995 O LEU A 122 -11.733 9.110 -0.591 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.886 8.355 1.955 1.00 0.00 C ATOM 1997 CG LEU A 122 -9.530 7.096 2.818 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -10.531 5.987 2.584 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -8.131 6.569 2.543 1.00 0.00 C ATOM 0 H LEU A 122 -7.877 8.569 1.182 1.00 0.00 H new ATOM 0 HA LEU A 122 -10.038 7.320 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -9.252 9.177 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.915 8.634 2.182 1.00 0.00 H new ATOM 0 HG LEU A 122 -9.567 7.421 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.265 5.123 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -11.528 6.332 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.523 5.706 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.941 5.697 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -8.048 6.287 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -7.399 7.345 2.769 1.00 0.00 H new