USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 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 38 SER OG : rot -33:sc= 1.04 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.616 K(o=0.42,f=-1.9!) USER MOD Set 2.1: A 86 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.6!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 63 GLN : amide:sc= 0 X(o=-0.31,f=-0.31) USER MOD Set 3.2: A 70 THR OG1 : rot -110:sc= -0.31 USER MOD Set 4.1: A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 4.2: A 52 GLN : amide:sc= -0.301 X(o=-0.3,f=0.0025) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 80:sc= 0.715 USER MOD Single : A 15 SER OG : rot 180:sc= -0.779 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -1:sc= -0.659 USER MOD Single : A 20 SER OG : rot -160:sc= -1.82 USER MOD Single : A 30 THR OG1 : rot 88:sc= 0.0134 USER MOD Single : A 32 SER OG : rot 180:sc= -0.478 USER MOD Single : A 33 ASN : amide:sc= 0.0159 X(o=0.016,f=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.792 F(o=-2.1!,f=-0.79) USER MOD Single : A 64 SER OG : rot 58:sc= 0.715 USER MOD Single : A 65 ASN : amide:sc= -2.95! C(o=-3!,f=-5.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -2.22! USER MOD Single : A 77 SER OG : rot -137:sc= 0.0624 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0508 F(o=-1.2,f=-0.051) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= -1.03 (180deg=-1.09) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.176 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.824 X(o=-0.82,f=-1) USER MOD Single : A 103 SER OG : rot 27:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -9.408 -15.985 1.499 1.00 0.00 N ATOM 67 CA LEU A 8 -9.504 -14.530 1.475 1.00 0.00 C ATOM 68 C LEU A 8 -8.538 -13.903 2.475 1.00 0.00 C ATOM 69 O LEU A 8 -8.398 -14.360 3.610 1.00 0.00 O ATOM 70 CB LEU A 8 -10.935 -14.089 1.786 1.00 0.00 C ATOM 71 CG LEU A 8 -12.039 -14.769 0.975 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.332 -14.823 1.774 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.255 -14.045 -0.345 1.00 0.00 C ATOM 0 HA LEU A 8 -9.234 -14.189 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.127 -14.267 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.005 -13.013 1.626 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.727 -15.791 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.106 -15.310 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.169 -15.388 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.649 -13.810 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.044 -14.543 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.545 -13.012 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.331 -14.060 -0.924 1.00 0.00 H new ATOM 85 N PRO A 9 -7.856 -12.831 2.047 1.00 0.00 N ATOM 86 CA PRO A 9 -6.893 -12.117 2.890 1.00 0.00 C ATOM 87 C PRO A 9 -7.569 -11.355 4.025 1.00 0.00 C ATOM 88 O PRO A 9 -8.795 -11.273 4.084 1.00 0.00 O ATOM 89 CB PRO A 9 -6.223 -11.143 1.918 1.00 0.00 C ATOM 90 CG PRO A 9 -7.229 -10.932 0.840 1.00 0.00 C ATOM 91 CD PRO A 9 -7.972 -12.233 0.706 1.00 0.00 C ATOM 0 HA PRO A 9 -6.197 -12.798 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.968 -10.205 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.296 -11.556 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.909 -10.119 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.745 -10.661 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.013 -12.074 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.530 -12.872 -0.059 1.00 0.00 H new ATOM 99 N GLN A 10 -6.761 -10.800 4.923 1.00 0.00 N ATOM 100 CA GLN A 10 -7.283 -10.046 6.056 1.00 0.00 C ATOM 101 C GLN A 10 -6.290 -8.979 6.504 1.00 0.00 C ATOM 102 O GLN A 10 -5.081 -9.128 6.326 1.00 0.00 O ATOM 103 CB GLN A 10 -7.599 -10.986 7.220 1.00 0.00 C ATOM 104 CG GLN A 10 -8.018 -10.263 8.490 1.00 0.00 C ATOM 105 CD GLN A 10 -8.132 -11.194 9.681 1.00 0.00 C ATOM 106 OE1 GLN A 10 -8.864 -12.184 9.643 1.00 0.00 O ATOM 107 NE2 GLN A 10 -7.407 -10.882 10.749 1.00 0.00 N ATOM 0 H GLN A 10 -5.743 -10.858 4.888 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.201 -9.552 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.395 -11.667 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.721 -11.596 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.293 -9.480 8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.977 -9.772 8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.814 -10.052 10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.443 -11.472 11.580 1.00 0.00 H new ATOM 116 N VAL A 11 -6.808 -7.902 7.085 1.00 0.00 N ATOM 117 CA VAL A 11 -5.966 -6.809 7.559 1.00 0.00 C ATOM 118 C VAL A 11 -6.365 -6.379 8.966 1.00 0.00 C ATOM 119 O VAL A 11 -7.347 -5.661 9.151 1.00 0.00 O ATOM 120 CB VAL A 11 -6.045 -5.592 6.620 1.00 0.00 C ATOM 121 CG1 VAL A 11 -5.203 -4.445 7.159 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.604 -5.973 5.215 1.00 0.00 C ATOM 0 H VAL A 11 -7.807 -7.762 7.239 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.942 -7.181 7.573 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.082 -5.259 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.271 -3.594 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.570 -4.156 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.163 -4.763 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.666 -5.100 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.576 -6.333 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.254 -6.759 4.830 1.00 0.00 H new ATOM 132 N GLU A 12 -5.596 -6.823 9.956 1.00 0.00 N ATOM 133 CA GLU A 12 -5.870 -6.483 11.347 1.00 0.00 C ATOM 134 C GLU A 12 -5.369 -5.079 11.673 1.00 0.00 C ATOM 135 O GLU A 12 -6.128 -4.231 12.141 1.00 0.00 O ATOM 136 CB GLU A 12 -5.214 -7.500 12.283 1.00 0.00 C ATOM 137 CG GLU A 12 -5.948 -7.676 13.601 1.00 0.00 C ATOM 138 CD GLU A 12 -7.128 -8.622 13.490 1.00 0.00 C ATOM 139 OE1 GLU A 12 -8.133 -8.244 12.851 1.00 0.00 O ATOM 140 OE2 GLU A 12 -7.048 -9.740 14.042 1.00 0.00 O ATOM 0 H GLU A 12 -4.779 -7.418 9.820 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.950 -6.508 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.158 -8.464 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.190 -7.186 12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.254 -8.054 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.298 -6.705 13.950 1.00 0.00 H new ATOM 147 N ALA A 13 -4.086 -4.842 11.423 1.00 0.00 N ATOM 148 CA ALA A 13 -3.483 -3.541 11.688 1.00 0.00 C ATOM 149 C ALA A 13 -2.193 -3.362 10.895 1.00 0.00 C ATOM 150 O ALA A 13 -1.385 -4.285 10.789 1.00 0.00 O ATOM 151 CB ALA A 13 -3.217 -3.377 13.177 1.00 0.00 C ATOM 0 H ALA A 13 -3.443 -5.534 11.037 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.185 -2.771 11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.767 -2.402 13.361 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.156 -3.452 13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.537 -4.160 13.514 1.00 0.00 H new ATOM 157 N TYR A 14 -2.007 -2.170 10.339 1.00 0.00 N ATOM 158 CA TYR A 14 -0.816 -1.871 9.552 1.00 0.00 C ATOM 159 C TYR A 14 0.079 -0.872 10.278 1.00 0.00 C ATOM 160 O TYR A 14 -0.358 -0.185 11.201 1.00 0.00 O ATOM 161 CB TYR A 14 -1.210 -1.318 8.182 1.00 0.00 C ATOM 162 CG TYR A 14 -2.162 -0.145 8.253 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.708 1.122 8.599 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.514 -0.304 7.975 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.573 2.197 8.666 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.386 0.766 8.037 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.911 2.014 8.384 1.00 0.00 C ATOM 168 OH TYR A 14 -4.777 3.081 8.449 1.00 0.00 O ATOM 0 H TYR A 14 -2.665 -1.395 10.419 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.259 -2.798 9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.309 -1.012 7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.671 -2.114 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.661 1.269 8.819 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.890 -1.280 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.204 3.175 8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.434 0.626 7.815 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.706 3.610 7.627 1.00 0.00 H new ATOM 178 N SER A 15 1.336 -0.796 9.853 1.00 0.00 N ATOM 179 CA SER A 15 2.296 0.117 10.463 1.00 0.00 C ATOM 180 C SER A 15 3.544 0.251 9.596 1.00 0.00 C ATOM 181 O SER A 15 3.991 -0.700 8.954 1.00 0.00 O ATOM 182 CB SER A 15 2.681 -0.374 11.860 1.00 0.00 C ATOM 183 OG SER A 15 3.809 0.329 12.354 1.00 0.00 O ATOM 0 H SER A 15 1.714 -1.356 9.088 1.00 0.00 H new ATOM 0 HA SER A 15 1.826 1.097 10.547 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.840 -0.242 12.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.899 -1.441 11.827 1.00 0.00 H new ATOM 0 HG SER A 15 4.034 -0.002 13.249 1.00 0.00 H new ATOM 189 N PRO A 16 4.122 1.462 9.576 1.00 0.00 N ATOM 190 CA PRO A 16 3.599 2.601 10.336 1.00 0.00 C ATOM 191 C PRO A 16 2.278 3.115 9.774 1.00 0.00 C ATOM 192 O PRO A 16 2.038 3.050 8.568 1.00 0.00 O ATOM 193 CB PRO A 16 4.693 3.661 10.183 1.00 0.00 C ATOM 194 CG PRO A 16 5.386 3.310 8.912 1.00 0.00 C ATOM 195 CD PRO A 16 5.330 1.811 8.810 1.00 0.00 C ATOM 0 HA PRO A 16 3.384 2.336 11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.269 4.664 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.382 3.643 11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.896 3.778 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.417 3.662 8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.258 1.481 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.221 1.346 9.231 1.00 0.00 H new ATOM 203 N SER A 17 1.424 3.625 10.655 1.00 0.00 N ATOM 204 CA SER A 17 0.125 4.147 10.247 1.00 0.00 C ATOM 205 C SER A 17 0.258 5.028 9.009 1.00 0.00 C ATOM 206 O SER A 17 -0.628 5.057 8.156 1.00 0.00 O ATOM 207 CB SER A 17 -0.510 4.943 11.389 1.00 0.00 C ATOM 208 OG SER A 17 -0.830 4.101 12.482 1.00 0.00 O ATOM 0 H SER A 17 1.608 3.688 11.656 1.00 0.00 H new ATOM 0 HA SER A 17 -0.518 3.302 10.002 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.176 5.724 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.412 5.440 11.032 1.00 0.00 H new ATOM 0 HG SER A 17 -1.233 4.634 13.199 1.00 0.00 H new ATOM 214 N ALA A 18 1.372 5.748 8.920 1.00 0.00 N ATOM 215 CA ALA A 18 1.623 6.629 7.786 1.00 0.00 C ATOM 216 C ALA A 18 3.085 6.568 7.357 1.00 0.00 C ATOM 217 O ALA A 18 3.888 5.848 7.953 1.00 0.00 O ATOM 218 CB ALA A 18 1.232 8.058 8.132 1.00 0.00 C ATOM 0 H ALA A 18 2.114 5.738 9.619 1.00 0.00 H new ATOM 0 HA ALA A 18 1.012 6.289 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.425 8.705 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.172 8.094 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.819 8.400 8.985 1.00 0.00 H new ATOM 224 N CYS A 19 3.425 7.326 6.321 1.00 0.00 N ATOM 225 CA CYS A 19 4.791 7.357 5.811 1.00 0.00 C ATOM 226 C CYS A 19 5.033 8.612 4.979 1.00 0.00 C ATOM 227 O CYS A 19 4.163 9.477 4.874 1.00 0.00 O ATOM 228 CB CYS A 19 5.072 6.111 4.971 1.00 0.00 C ATOM 229 SG CYS A 19 6.790 5.550 5.034 1.00 0.00 S ATOM 0 H CYS A 19 2.773 7.928 5.817 1.00 0.00 H new ATOM 0 HA CYS A 19 5.470 7.372 6.663 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.424 5.303 5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.806 6.317 3.934 1.00 0.00 H new ATOM 0 HG CYS A 19 7.482 6.355 5.784 1.00 0.00 H new ATOM 235 N SER A 20 6.220 8.706 4.389 1.00 0.00 N ATOM 236 CA SER A 20 6.579 9.858 3.570 1.00 0.00 C ATOM 237 C SER A 20 6.407 9.544 2.087 1.00 0.00 C ATOM 238 O SER A 20 6.461 8.385 1.675 1.00 0.00 O ATOM 239 CB SER A 20 8.022 10.280 3.850 1.00 0.00 C ATOM 240 OG SER A 20 8.916 9.197 3.661 1.00 0.00 O ATOM 0 H SER A 20 6.950 7.998 4.463 1.00 0.00 H new ATOM 0 HA SER A 20 5.912 10.680 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.298 11.103 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.104 10.649 4.872 1.00 0.00 H new ATOM 0 HG SER A 20 9.755 9.379 4.134 1.00 0.00 H new ATOM 246 N VAL A 21 6.200 10.586 1.289 1.00 0.00 N ATOM 247 CA VAL A 21 6.021 10.424 -0.149 1.00 0.00 C ATOM 248 C VAL A 21 7.185 9.656 -0.765 1.00 0.00 C ATOM 249 O VAL A 21 7.031 8.991 -1.789 1.00 0.00 O ATOM 250 CB VAL A 21 5.888 11.786 -0.856 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.547 12.427 -0.533 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.035 12.705 -0.461 1.00 0.00 C ATOM 0 H VAL A 21 6.152 11.552 1.614 1.00 0.00 H new ATOM 0 HA VAL A 21 5.100 9.858 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 21 5.936 11.623 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.471 13.388 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.741 11.774 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.466 12.578 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.925 13.663 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.020 12.863 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.982 12.248 -0.748 1.00 0.00 H new ATOM 262 N ARG A 22 8.350 9.753 -0.133 1.00 0.00 N ATOM 263 CA ARG A 22 9.542 9.067 -0.619 1.00 0.00 C ATOM 264 C ARG A 22 9.426 7.560 -0.409 1.00 0.00 C ATOM 265 O ARG A 22 9.895 6.772 -1.229 1.00 0.00 O ATOM 266 CB ARG A 22 10.787 9.597 0.094 1.00 0.00 C ATOM 267 CG ARG A 22 10.757 9.400 1.601 1.00 0.00 C ATOM 268 CD ARG A 22 12.155 9.445 2.197 1.00 0.00 C ATOM 269 NE ARG A 22 12.841 8.161 2.080 1.00 0.00 N ATOM 270 CZ ARG A 22 13.647 7.847 1.072 1.00 0.00 C ATOM 271 NH1 ARG A 22 13.867 8.720 0.098 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.235 6.659 1.036 1.00 0.00 N ATOM 0 H ARG A 22 8.494 10.299 0.716 1.00 0.00 H new ATOM 0 HA ARG A 22 9.632 9.262 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.667 9.098 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.895 10.660 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.141 10.174 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.291 8.443 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.739 10.215 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.092 9.728 3.248 1.00 0.00 H new ATOM 0 HE ARG A 22 12.693 7.467 2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.417 9.635 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.486 8.476 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.069 5.985 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.854 6.419 0.261 1.00 0.00 H new ATOM 286 N GLY A 23 8.798 7.168 0.695 1.00 0.00 N ATOM 287 CA GLY A 23 8.632 5.757 0.992 1.00 0.00 C ATOM 288 C GLY A 23 9.890 5.133 1.563 1.00 0.00 C ATOM 289 O GLY A 23 10.282 5.430 2.691 1.00 0.00 O ATOM 0 H GLY A 23 8.401 7.802 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.814 5.632 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.349 5.228 0.082 1.00 0.00 H new ATOM 293 N GLY A 24 10.524 4.264 0.783 1.00 0.00 N ATOM 294 CA GLY A 24 11.737 3.608 1.235 1.00 0.00 C ATOM 295 C GLY A 24 11.724 3.329 2.725 1.00 0.00 C ATOM 296 O GLY A 24 12.720 3.552 3.413 1.00 0.00 O ATOM 0 H GLY A 24 10.219 4.002 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.863 2.670 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.596 4.233 0.993 1.00 0.00 H new ATOM 300 N GLU A 25 10.593 2.841 3.225 1.00 0.00 N ATOM 301 CA GLU A 25 10.455 2.534 4.643 1.00 0.00 C ATOM 302 C GLU A 25 9.958 1.106 4.845 1.00 0.00 C ATOM 303 O GLU A 25 9.584 0.427 3.889 1.00 0.00 O ATOM 304 CB GLU A 25 9.493 3.520 5.310 1.00 0.00 C ATOM 305 CG GLU A 25 10.167 4.790 5.801 1.00 0.00 C ATOM 306 CD GLU A 25 9.386 5.475 6.906 1.00 0.00 C ATOM 307 OE1 GLU A 25 9.292 4.901 8.011 1.00 0.00 O ATOM 308 OE2 GLU A 25 8.868 6.586 6.665 1.00 0.00 O ATOM 0 H GLU A 25 9.760 2.650 2.669 1.00 0.00 H new ATOM 0 HA GLU A 25 11.438 2.627 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.709 3.786 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.007 3.027 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.167 4.550 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.288 5.479 4.965 1.00 0.00 H new ATOM 315 N GLU A 26 9.957 0.657 6.096 1.00 0.00 N ATOM 316 CA GLU A 26 9.507 -0.691 6.423 1.00 0.00 C ATOM 317 C GLU A 26 8.025 -0.696 6.789 1.00 0.00 C ATOM 318 O GLU A 26 7.645 -0.311 7.895 1.00 0.00 O ATOM 319 CB GLU A 26 10.330 -1.261 7.580 1.00 0.00 C ATOM 320 CG GLU A 26 10.061 -2.732 7.852 1.00 0.00 C ATOM 321 CD GLU A 26 10.941 -3.292 8.952 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.178 -3.147 8.854 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.394 -3.875 9.911 1.00 0.00 O ATOM 0 H GLU A 26 10.263 1.206 6.899 1.00 0.00 H new ATOM 0 HA GLU A 26 9.649 -1.317 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.390 -1.129 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.117 -0.688 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.014 -2.861 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.222 -3.302 6.937 1.00 0.00 H new ATOM 330 N LEU A 27 7.192 -1.135 5.851 1.00 0.00 N ATOM 331 CA LEU A 27 5.751 -1.191 6.073 1.00 0.00 C ATOM 332 C LEU A 27 5.306 -2.612 6.405 1.00 0.00 C ATOM 333 O LEU A 27 5.283 -3.485 5.537 1.00 0.00 O ATOM 334 CB LEU A 27 5.005 -0.685 4.837 1.00 0.00 C ATOM 335 CG LEU A 27 3.480 -0.774 4.891 1.00 0.00 C ATOM 336 CD1 LEU A 27 2.931 0.127 5.986 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.876 -0.407 3.543 1.00 0.00 C ATOM 0 H LEU A 27 7.490 -1.457 4.930 1.00 0.00 H new ATOM 0 HA LEU A 27 5.513 -0.549 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.283 0.356 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.352 -1.250 3.972 1.00 0.00 H new ATOM 0 HG LEU A 27 3.203 -1.803 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.844 0.050 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.337 -0.182 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.218 1.159 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.790 -0.476 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.162 0.612 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.243 -1.094 2.781 1.00 0.00 H new ATOM 349 N VAL A 28 4.950 -2.836 7.666 1.00 0.00 N ATOM 350 CA VAL A 28 4.502 -4.150 8.111 1.00 0.00 C ATOM 351 C VAL A 28 2.981 -4.215 8.187 1.00 0.00 C ATOM 352 O VAL A 28 2.350 -3.435 8.902 1.00 0.00 O ATOM 353 CB VAL A 28 5.089 -4.505 9.490 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.576 -5.859 9.956 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.609 -4.490 9.441 1.00 0.00 C ATOM 0 H VAL A 28 4.963 -2.125 8.397 1.00 0.00 H new ATOM 0 HA VAL A 28 4.858 -4.872 7.376 1.00 0.00 H new ATOM 0 HB VAL A 28 4.764 -3.753 10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.001 -6.093 10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.489 -5.830 10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.870 -6.626 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.007 -4.743 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.957 -5.220 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.954 -3.497 9.154 1.00 0.00 H new ATOM 365 N LEU A 29 2.397 -5.150 7.446 1.00 0.00 N ATOM 366 CA LEU A 29 0.948 -5.318 7.428 1.00 0.00 C ATOM 367 C LEU A 29 0.533 -6.552 8.223 1.00 0.00 C ATOM 368 O LEU A 29 0.970 -7.666 7.935 1.00 0.00 O ATOM 369 CB LEU A 29 0.445 -5.433 5.988 1.00 0.00 C ATOM 370 CG LEU A 29 0.855 -4.304 5.042 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.910 -4.803 3.607 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.106 -3.130 5.164 1.00 0.00 C ATOM 0 H LEU A 29 2.905 -5.804 6.850 1.00 0.00 H new ATOM 0 HA LEU A 29 0.500 -4.440 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.803 -6.375 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.644 -5.486 6.008 1.00 0.00 H new ATOM 0 HG LEU A 29 1.851 -3.963 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.203 -3.985 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.638 -5.610 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.072 -5.172 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.201 -2.336 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.114 -3.457 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.095 -2.755 6.188 1.00 0.00 H new ATOM 384 N THR A 30 -0.315 -6.346 9.226 1.00 0.00 N ATOM 385 CA THR A 30 -0.790 -7.441 10.063 1.00 0.00 C ATOM 386 C THR A 30 -2.163 -7.923 9.610 1.00 0.00 C ATOM 387 O THR A 30 -3.041 -7.120 9.295 1.00 0.00 O ATOM 388 CB THR A 30 -0.867 -7.024 11.543 1.00 0.00 C ATOM 389 OG1 THR A 30 0.377 -6.447 11.955 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.193 -8.220 12.426 1.00 0.00 C ATOM 0 H THR A 30 -0.687 -5.430 9.478 1.00 0.00 H new ATOM 0 HA THR A 30 -0.071 -8.253 9.959 1.00 0.00 H new ATOM 0 HB THR A 30 -1.662 -6.286 11.648 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.371 -5.486 11.763 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.242 -7.901 13.467 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.154 -8.640 12.129 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.416 -8.977 12.315 1.00 0.00 H new ATOM 398 N GLY A 31 -2.344 -9.240 9.581 1.00 0.00 N ATOM 399 CA GLY A 31 -3.614 -9.806 9.166 1.00 0.00 C ATOM 400 C GLY A 31 -3.600 -11.322 9.164 1.00 0.00 C ATOM 401 O GLY A 31 -3.200 -11.947 10.146 1.00 0.00 O ATOM 0 H GLY A 31 -1.633 -9.925 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.401 -9.454 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.859 -9.447 8.167 1.00 0.00 H new ATOM 405 N SER A 32 -4.041 -11.915 8.060 1.00 0.00 N ATOM 406 CA SER A 32 -4.083 -13.368 7.937 1.00 0.00 C ATOM 407 C SER A 32 -4.483 -13.782 6.524 1.00 0.00 C ATOM 408 O SER A 32 -4.862 -12.947 5.704 1.00 0.00 O ATOM 409 CB SER A 32 -5.066 -13.958 8.950 1.00 0.00 C ATOM 410 OG SER A 32 -4.706 -15.284 9.296 1.00 0.00 O ATOM 0 H SER A 32 -4.374 -11.412 7.237 1.00 0.00 H new ATOM 0 HA SER A 32 -3.085 -13.754 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.086 -13.338 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.073 -13.948 8.533 1.00 0.00 H new ATOM 0 HG SER A 32 -5.348 -15.638 9.946 1.00 0.00 H new ATOM 416 N ASN A 33 -4.393 -15.079 6.247 1.00 0.00 N ATOM 417 CA ASN A 33 -4.744 -15.605 4.933 1.00 0.00 C ATOM 418 C ASN A 33 -3.961 -14.893 3.834 1.00 0.00 C ATOM 419 O ASN A 33 -4.519 -14.518 2.803 1.00 0.00 O ATOM 420 CB ASN A 33 -6.246 -15.454 4.684 1.00 0.00 C ATOM 421 CG ASN A 33 -7.036 -16.654 5.170 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.878 -17.095 6.309 1.00 0.00 O ATOM 423 ND2 ASN A 33 -7.892 -17.188 4.307 1.00 0.00 N ATOM 0 H ASN A 33 -4.080 -15.784 6.914 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.484 -16.663 4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.607 -14.557 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.422 -15.314 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.451 -17.997 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.990 -16.789 3.373 1.00 0.00 H new ATOM 430 N PHE A 34 -2.665 -14.709 4.063 1.00 0.00 N ATOM 431 CA PHE A 34 -1.805 -14.041 3.093 1.00 0.00 C ATOM 432 C PHE A 34 -1.145 -15.055 2.162 1.00 0.00 C ATOM 433 O PHE A 34 -1.121 -16.253 2.447 1.00 0.00 O ATOM 434 CB PHE A 34 -0.733 -13.219 3.811 1.00 0.00 C ATOM 435 CG PHE A 34 -1.268 -11.976 4.464 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.145 -11.145 3.786 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.894 -11.640 5.755 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.640 -10.001 4.384 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.386 -10.497 6.358 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.259 -9.676 5.671 1.00 0.00 C ATOM 0 H PHE A 34 -2.187 -15.013 4.911 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.425 -13.374 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.256 -13.841 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.040 -12.940 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.445 -11.394 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.211 -12.278 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.324 -9.362 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.088 -10.246 7.365 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.643 -8.782 6.139 1.00 0.00 H new ATOM 450 N LEU A 35 -0.612 -14.566 1.048 1.00 0.00 N ATOM 451 CA LEU A 35 0.048 -15.427 0.073 1.00 0.00 C ATOM 452 C LEU A 35 1.315 -14.770 -0.465 1.00 0.00 C ATOM 453 O LEU A 35 1.436 -13.546 -0.514 1.00 0.00 O ATOM 454 CB LEU A 35 -0.903 -15.747 -1.081 1.00 0.00 C ATOM 455 CG LEU A 35 -2.117 -16.609 -0.731 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.287 -16.280 -1.646 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.766 -18.087 -0.821 1.00 0.00 C ATOM 0 H LEU A 35 -0.624 -13.577 0.797 1.00 0.00 H new ATOM 0 HA LEU A 35 0.326 -16.354 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.259 -14.807 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.336 -16.253 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.411 -16.388 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.142 -16.903 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.554 -15.230 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.004 -16.471 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.642 -18.685 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.445 -18.324 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.959 -18.313 -0.123 1.00 0.00 H new ATOM 469 N PRO A 36 2.283 -15.602 -0.880 1.00 0.00 N ATOM 470 CA PRO A 36 3.557 -15.124 -1.424 1.00 0.00 C ATOM 471 C PRO A 36 3.394 -14.472 -2.793 1.00 0.00 C ATOM 472 O PRO A 36 4.372 -14.043 -3.407 1.00 0.00 O ATOM 473 CB PRO A 36 4.396 -16.400 -1.536 1.00 0.00 C ATOM 474 CG PRO A 36 3.398 -17.499 -1.662 1.00 0.00 C ATOM 475 CD PRO A 36 2.207 -17.072 -0.850 1.00 0.00 C ATOM 0 HA PRO A 36 4.007 -14.356 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.057 -16.364 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.027 -16.537 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.123 -17.658 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.805 -18.440 -1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.275 -17.435 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.257 -17.456 0.169 1.00 0.00 H new ATOM 483 N ASP A 37 2.155 -14.400 -3.265 1.00 0.00 N ATOM 484 CA ASP A 37 1.864 -13.799 -4.562 1.00 0.00 C ATOM 485 C ASP A 37 1.059 -12.513 -4.396 1.00 0.00 C ATOM 486 O ASP A 37 1.077 -11.642 -5.266 1.00 0.00 O ATOM 487 CB ASP A 37 1.099 -14.785 -5.445 1.00 0.00 C ATOM 488 CG ASP A 37 0.074 -15.585 -4.666 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.729 -14.968 -3.934 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.074 -16.827 -4.788 1.00 0.00 O ATOM 0 H ASP A 37 1.335 -14.750 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 37 2.811 -13.554 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.598 -14.239 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.805 -15.467 -5.918 1.00 0.00 H new ATOM 495 N SER A 38 0.353 -12.403 -3.276 1.00 0.00 N ATOM 496 CA SER A 38 -0.462 -11.227 -2.998 1.00 0.00 C ATOM 497 C SER A 38 0.187 -9.969 -3.568 1.00 0.00 C ATOM 498 O SER A 38 1.409 -9.821 -3.542 1.00 0.00 O ATOM 499 CB SER A 38 -0.672 -11.069 -1.491 1.00 0.00 C ATOM 500 OG SER A 38 -1.290 -12.218 -0.939 1.00 0.00 O ATOM 0 H SER A 38 0.329 -13.115 -2.546 1.00 0.00 H new ATOM 0 HA SER A 38 -1.430 -11.365 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.288 -10.898 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.289 -10.192 -1.297 1.00 0.00 H new ATOM 0 HG SER A 38 -1.903 -12.607 -1.597 1.00 0.00 H new ATOM 506 N LYS A 39 -0.640 -9.065 -4.082 1.00 0.00 N ATOM 507 CA LYS A 39 -0.150 -7.818 -4.657 1.00 0.00 C ATOM 508 C LYS A 39 -0.694 -6.615 -3.893 1.00 0.00 C ATOM 509 O LYS A 39 -1.846 -6.613 -3.459 1.00 0.00 O ATOM 510 CB LYS A 39 -0.547 -7.722 -6.132 1.00 0.00 C ATOM 511 CG LYS A 39 0.430 -6.921 -6.974 1.00 0.00 C ATOM 512 CD LYS A 39 0.087 -7.000 -8.452 1.00 0.00 C ATOM 513 CE LYS A 39 0.534 -5.750 -9.196 1.00 0.00 C ATOM 514 NZ LYS A 39 0.083 -5.758 -10.615 1.00 0.00 N ATOM 0 H LYS A 39 -1.654 -9.173 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 39 0.937 -7.814 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.629 -8.728 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.535 -7.267 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.420 -5.880 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.441 -7.295 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.564 -7.876 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.989 -7.130 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.138 -4.867 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.621 -5.676 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.407 -4.890 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.482 -6.586 -11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.955 -5.803 -10.649 1.00 0.00 H new ATOM 528 N VAL A 40 0.141 -5.594 -3.734 1.00 0.00 N ATOM 529 CA VAL A 40 -0.257 -4.384 -3.025 1.00 0.00 C ATOM 530 C VAL A 40 -0.175 -3.162 -3.934 1.00 0.00 C ATOM 531 O VAL A 40 0.911 -2.655 -4.214 1.00 0.00 O ATOM 532 CB VAL A 40 0.622 -4.146 -1.783 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.222 -2.855 -1.085 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.528 -5.328 -0.830 1.00 0.00 C ATOM 0 H VAL A 40 1.098 -5.580 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.290 -4.529 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 40 1.659 -4.050 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.854 -2.704 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.346 -2.017 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.821 -2.918 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.155 -5.143 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.506 -5.458 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.868 -6.231 -1.336 1.00 0.00 H new ATOM 544 N VAL A 41 -1.332 -2.694 -4.391 1.00 0.00 N ATOM 545 CA VAL A 41 -1.392 -1.530 -5.268 1.00 0.00 C ATOM 546 C VAL A 41 -1.971 -0.322 -4.539 1.00 0.00 C ATOM 547 O VAL A 41 -2.808 -0.465 -3.647 1.00 0.00 O ATOM 548 CB VAL A 41 -2.241 -1.814 -6.521 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.709 -3.032 -7.261 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.702 -2.006 -6.142 1.00 0.00 C ATOM 0 H VAL A 41 -2.240 -3.102 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.369 -1.311 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.172 -0.955 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.321 -3.218 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.678 -2.851 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.746 -3.901 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.287 -2.206 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.792 -2.848 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.074 -1.102 -5.659 1.00 0.00 H new ATOM 560 N PHE A 42 -1.520 0.867 -4.924 1.00 0.00 N ATOM 561 CA PHE A 42 -1.993 2.100 -4.307 1.00 0.00 C ATOM 562 C PHE A 42 -2.910 2.866 -5.256 1.00 0.00 C ATOM 563 O PHE A 42 -2.781 2.767 -6.477 1.00 0.00 O ATOM 564 CB PHE A 42 -0.808 2.981 -3.904 1.00 0.00 C ATOM 565 CG PHE A 42 -0.102 2.506 -2.666 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.566 1.293 -2.656 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.107 3.274 -1.513 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.215 0.854 -1.517 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.541 2.840 -0.371 1.00 0.00 C ATOM 570 CZ PHE A 42 1.204 1.629 -0.374 1.00 0.00 C ATOM 0 H PHE A 42 -0.827 1.003 -5.660 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.561 1.836 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.095 3.017 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.161 4.000 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.580 0.683 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.623 4.223 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.731 -0.095 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.528 3.447 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.713 1.288 0.516 1.00 0.00 H new ATOM 580 N ILE A 43 -3.836 3.629 -4.686 1.00 0.00 N ATOM 581 CA ILE A 43 -4.775 4.412 -5.480 1.00 0.00 C ATOM 582 C ILE A 43 -4.720 5.888 -5.099 1.00 0.00 C ATOM 583 O ILE A 43 -4.478 6.232 -3.943 1.00 0.00 O ATOM 584 CB ILE A 43 -6.219 3.903 -5.309 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.646 3.999 -3.843 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.338 2.471 -5.809 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.124 3.758 -3.628 1.00 0.00 C ATOM 0 H ILE A 43 -3.956 3.722 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.479 4.297 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.883 4.531 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.079 3.274 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.388 4.987 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.364 2.125 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.070 2.431 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.666 1.830 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.356 3.842 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.698 4.499 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.385 2.759 -3.979 1.00 0.00 H new ATOM 599 N GLU A 44 -4.948 6.756 -6.080 1.00 0.00 N ATOM 600 CA GLU A 44 -4.925 8.195 -5.847 1.00 0.00 C ATOM 601 C GLU A 44 -6.165 8.861 -6.436 1.00 0.00 C ATOM 602 O GLU A 44 -6.384 8.828 -7.647 1.00 0.00 O ATOM 603 CB GLU A 44 -3.663 8.813 -6.453 1.00 0.00 C ATOM 604 CG GLU A 44 -3.662 10.332 -6.440 1.00 0.00 C ATOM 605 CD GLU A 44 -2.727 10.924 -7.476 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.524 10.589 -7.449 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.197 11.722 -8.313 1.00 0.00 O ATOM 0 H GLU A 44 -5.151 6.488 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.921 8.363 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.793 8.453 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.557 8.467 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.674 10.694 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.370 10.683 -5.450 1.00 0.00 H new ATOM 614 N ARG A 45 -6.972 9.466 -5.571 1.00 0.00 N ATOM 615 CA ARG A 45 -8.191 10.139 -6.004 1.00 0.00 C ATOM 616 C ARG A 45 -7.881 11.534 -6.540 1.00 0.00 C ATOM 617 O ARG A 45 -7.193 12.320 -5.890 1.00 0.00 O ATOM 618 CB ARG A 45 -9.185 10.235 -4.846 1.00 0.00 C ATOM 619 CG ARG A 45 -9.956 8.949 -4.597 1.00 0.00 C ATOM 620 CD ARG A 45 -10.525 8.904 -3.187 1.00 0.00 C ATOM 621 NE ARG A 45 -11.001 7.571 -2.831 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.213 7.118 -3.133 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.067 7.889 -3.793 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.573 5.892 -2.774 1.00 0.00 N ATOM 0 H ARG A 45 -6.804 9.504 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.635 9.551 -6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.647 10.508 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.892 11.039 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.767 8.864 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.299 8.094 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.759 9.217 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.346 9.616 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.368 6.953 -2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.794 8.832 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.997 7.539 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.919 5.297 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.504 5.545 -3.006 1.00 0.00 H new ATOM 638 N GLY A 46 -8.393 11.833 -7.729 1.00 0.00 N ATOM 639 CA GLY A 46 -8.160 13.132 -8.332 1.00 0.00 C ATOM 640 C GLY A 46 -9.375 14.034 -8.255 1.00 0.00 C ATOM 641 O GLY A 46 -10.476 13.601 -7.912 1.00 0.00 O ATOM 0 H GLY A 46 -8.965 11.199 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.320 13.615 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.876 12.999 -9.376 1.00 0.00 H new ATOM 645 N PRO A 47 -9.183 15.322 -8.577 1.00 0.00 N ATOM 646 CA PRO A 47 -10.261 16.315 -8.549 1.00 0.00 C ATOM 647 C PRO A 47 -11.286 16.089 -9.656 1.00 0.00 C ATOM 648 O PRO A 47 -12.230 16.865 -9.809 1.00 0.00 O ATOM 649 CB PRO A 47 -9.528 17.641 -8.761 1.00 0.00 C ATOM 650 CG PRO A 47 -8.284 17.273 -9.493 1.00 0.00 C ATOM 651 CD PRO A 47 -7.898 15.908 -8.994 1.00 0.00 C ATOM 0 HA PRO A 47 -10.831 16.272 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.134 18.341 -9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.300 18.124 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.454 17.261 -10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.491 17.996 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.420 15.315 -9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.195 15.968 -8.163 1.00 0.00 H new ATOM 659 N ASP A 48 -11.094 15.023 -10.424 1.00 0.00 N ATOM 660 CA ASP A 48 -12.003 14.695 -11.517 1.00 0.00 C ATOM 661 C ASP A 48 -13.189 13.880 -11.010 1.00 0.00 C ATOM 662 O ASP A 48 -14.333 14.129 -11.388 1.00 0.00 O ATOM 663 CB ASP A 48 -11.264 13.919 -12.608 1.00 0.00 C ATOM 664 CG ASP A 48 -10.393 14.815 -13.467 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.939 15.745 -14.095 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.166 14.585 -13.511 1.00 0.00 O ATOM 0 H ASP A 48 -10.318 14.371 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.379 15.628 -11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.645 13.150 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.989 13.408 -13.241 1.00 0.00 H new ATOM 671 N GLY A 49 -12.907 12.903 -10.153 1.00 0.00 N ATOM 672 CA GLY A 49 -13.960 12.066 -9.610 1.00 0.00 C ATOM 673 C GLY A 49 -13.549 10.610 -9.507 1.00 0.00 C ATOM 674 O GLY A 49 -13.987 9.895 -8.606 1.00 0.00 O ATOM 0 H GLY A 49 -11.968 12.677 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.238 12.433 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.845 12.147 -10.241 1.00 0.00 H new ATOM 678 N LYS A 50 -12.706 10.169 -10.434 1.00 0.00 N ATOM 679 CA LYS A 50 -12.235 8.789 -10.446 1.00 0.00 C ATOM 680 C LYS A 50 -10.742 8.721 -10.140 1.00 0.00 C ATOM 681 O LYS A 50 -9.970 9.580 -10.568 1.00 0.00 O ATOM 682 CB LYS A 50 -12.517 8.143 -11.805 1.00 0.00 C ATOM 683 CG LYS A 50 -11.949 8.923 -12.978 1.00 0.00 C ATOM 684 CD LYS A 50 -11.846 8.058 -14.224 1.00 0.00 C ATOM 685 CE LYS A 50 -11.334 8.855 -15.414 1.00 0.00 C ATOM 686 NZ LYS A 50 -11.278 8.029 -16.652 1.00 0.00 N ATOM 0 H LYS A 50 -12.335 10.748 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.773 8.242 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.100 7.136 -11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.595 8.043 -11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.583 9.786 -13.184 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.963 9.307 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.177 7.219 -14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.824 7.639 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.982 9.716 -15.581 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.340 9.243 -15.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.892 8.598 -17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.667 7.203 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.236 7.708 -16.899 1.00 0.00 H new ATOM 700 N LEU A 51 -10.341 7.694 -9.398 1.00 0.00 N ATOM 701 CA LEU A 51 -8.940 7.513 -9.035 1.00 0.00 C ATOM 702 C LEU A 51 -8.218 6.653 -10.067 1.00 0.00 C ATOM 703 O LEU A 51 -8.782 5.695 -10.594 1.00 0.00 O ATOM 704 CB LEU A 51 -8.830 6.871 -7.651 1.00 0.00 C ATOM 705 CG LEU A 51 -9.692 5.631 -7.416 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.268 4.502 -8.344 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.607 5.189 -5.963 1.00 0.00 C ATOM 0 H LEU A 51 -10.967 6.974 -9.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.466 8.494 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.788 6.602 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.094 7.619 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.728 5.886 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.893 3.628 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.382 4.820 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.225 4.248 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.227 4.305 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.572 4.952 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.961 5.993 -5.317 1.00 0.00 H new ATOM 719 N GLN A 52 -6.966 7.001 -10.348 1.00 0.00 N ATOM 720 CA GLN A 52 -6.166 6.259 -11.315 1.00 0.00 C ATOM 721 C GLN A 52 -4.680 6.366 -10.990 1.00 0.00 C ATOM 722 O GLN A 52 -4.058 7.403 -11.221 1.00 0.00 O ATOM 723 CB GLN A 52 -6.429 6.776 -12.730 1.00 0.00 C ATOM 724 CG GLN A 52 -7.798 6.399 -13.272 1.00 0.00 C ATOM 725 CD GLN A 52 -7.826 6.318 -14.785 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.370 5.337 -15.374 1.00 0.00 O ATOM 727 NE2 GLN A 52 -8.362 7.351 -15.424 1.00 0.00 N ATOM 0 H GLN A 52 -6.484 7.792 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.456 5.210 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.332 7.862 -12.735 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.662 6.385 -13.399 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.097 5.437 -12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.531 7.133 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.728 8.143 -14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.408 7.352 -16.443 1.00 0.00 H new ATOM 736 N TRP A 53 -4.118 5.290 -10.452 1.00 0.00 N ATOM 737 CA TRP A 53 -2.704 5.264 -10.094 1.00 0.00 C ATOM 738 C TRP A 53 -2.154 3.843 -10.152 1.00 0.00 C ATOM 739 O TRP A 53 -2.540 2.986 -9.359 1.00 0.00 O ATOM 740 CB TRP A 53 -2.501 5.845 -8.694 1.00 0.00 C ATOM 741 CG TRP A 53 -1.068 6.157 -8.383 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.088 6.483 -9.276 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.456 6.172 -7.089 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.098 6.698 -8.615 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.898 6.515 -7.273 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.919 5.930 -5.793 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.790 6.620 -6.209 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.033 6.035 -4.738 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.309 6.378 -4.951 1.00 0.00 C ATOM 0 H TRP A 53 -4.619 4.424 -10.254 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.161 5.874 -10.816 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.093 6.755 -8.597 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.880 5.138 -7.956 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.224 6.561 -10.345 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.983 6.953 -9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.952 5.665 -5.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.825 6.883 -6.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.380 5.850 -3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.977 6.453 -4.106 1.00 0.00 H new ATOM 760 N GLU A 54 -1.250 3.601 -11.097 1.00 0.00 N ATOM 761 CA GLU A 54 -0.648 2.283 -11.258 1.00 0.00 C ATOM 762 C GLU A 54 0.766 2.258 -10.686 1.00 0.00 C ATOM 763 O GLU A 54 1.717 2.688 -11.338 1.00 0.00 O ATOM 764 CB GLU A 54 -0.620 1.888 -12.736 1.00 0.00 C ATOM 765 CG GLU A 54 -0.037 0.507 -12.986 1.00 0.00 C ATOM 766 CD GLU A 54 0.192 0.228 -14.458 1.00 0.00 C ATOM 767 OE1 GLU A 54 1.125 0.823 -15.036 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.562 -0.585 -15.033 1.00 0.00 O ATOM 0 H GLU A 54 -0.919 4.300 -11.762 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.256 1.564 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.635 1.922 -13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.038 2.625 -13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.908 0.414 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.710 -0.247 -12.578 1.00 0.00 H new ATOM 775 N GLU A 55 0.895 1.751 -9.464 1.00 0.00 N ATOM 776 CA GLU A 55 2.193 1.670 -8.804 1.00 0.00 C ATOM 777 C GLU A 55 2.308 0.389 -7.984 1.00 0.00 C ATOM 778 O GLU A 55 1.538 0.167 -7.050 1.00 0.00 O ATOM 779 CB GLU A 55 2.407 2.887 -7.902 1.00 0.00 C ATOM 780 CG GLU A 55 3.051 4.066 -8.612 1.00 0.00 C ATOM 781 CD GLU A 55 4.356 3.696 -9.291 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.339 3.414 -8.575 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.392 3.688 -10.540 1.00 0.00 O ATOM 0 H GLU A 55 0.117 1.390 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 55 2.964 1.657 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.446 3.200 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.032 2.597 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.358 4.460 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.234 4.863 -7.892 1.00 0.00 H new ATOM 790 N GLU A 56 3.275 -0.451 -8.341 1.00 0.00 N ATOM 791 CA GLU A 56 3.490 -1.711 -7.639 1.00 0.00 C ATOM 792 C GLU A 56 4.634 -1.587 -6.637 1.00 0.00 C ATOM 793 O GLU A 56 5.660 -0.971 -6.923 1.00 0.00 O ATOM 794 CB GLU A 56 3.790 -2.831 -8.637 1.00 0.00 C ATOM 795 CG GLU A 56 4.191 -4.141 -7.978 1.00 0.00 C ATOM 796 CD GLU A 56 3.293 -4.507 -6.813 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.103 -4.130 -6.840 1.00 0.00 O ATOM 798 OE2 GLU A 56 3.780 -5.169 -5.873 1.00 0.00 O ATOM 0 H GLU A 56 3.921 -0.282 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 56 2.578 -1.955 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.909 -3.000 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.591 -2.509 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.162 -4.940 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.221 -4.067 -7.629 1.00 0.00 H new ATOM 805 N ALA A 57 4.448 -2.177 -5.460 1.00 0.00 N ATOM 806 CA ALA A 57 5.464 -2.134 -4.416 1.00 0.00 C ATOM 807 C ALA A 57 6.303 -3.408 -4.414 1.00 0.00 C ATOM 808 O ALA A 57 5.804 -4.493 -4.711 1.00 0.00 O ATOM 809 CB ALA A 57 4.815 -1.926 -3.056 1.00 0.00 C ATOM 0 H ALA A 57 3.604 -2.690 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 57 6.127 -1.293 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.586 -1.896 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.265 -0.985 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.129 -2.748 -2.851 1.00 0.00 H new ATOM 815 N THR A 58 7.582 -3.268 -4.078 1.00 0.00 N ATOM 816 CA THR A 58 8.490 -4.407 -4.039 1.00 0.00 C ATOM 817 C THR A 58 8.143 -5.349 -2.892 1.00 0.00 C ATOM 818 O THR A 58 8.615 -5.176 -1.768 1.00 0.00 O ATOM 819 CB THR A 58 9.955 -3.953 -3.889 1.00 0.00 C ATOM 820 OG1 THR A 58 10.288 -3.024 -4.927 1.00 0.00 O ATOM 821 CG2 THR A 58 10.899 -5.143 -3.945 1.00 0.00 C ATOM 0 H THR A 58 8.012 -2.377 -3.829 1.00 0.00 H new ATOM 0 HA THR A 58 8.375 -4.934 -4.986 1.00 0.00 H new ATOM 0 HB THR A 58 10.065 -3.469 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.220 -2.739 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.927 -4.797 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.662 -5.834 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.786 -5.652 -4.902 1.00 0.00 H new ATOM 829 N VAL A 59 7.315 -6.347 -3.182 1.00 0.00 N ATOM 830 CA VAL A 59 6.905 -7.319 -2.175 1.00 0.00 C ATOM 831 C VAL A 59 8.019 -8.320 -1.893 1.00 0.00 C ATOM 832 O VAL A 59 8.764 -8.705 -2.793 1.00 0.00 O ATOM 833 CB VAL A 59 5.642 -8.083 -2.613 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.359 -9.237 -1.664 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.450 -7.141 -2.690 1.00 0.00 C ATOM 0 H VAL A 59 6.914 -6.504 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 59 6.684 -6.759 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 59 5.815 -8.496 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.463 -9.765 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.205 -9.924 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.206 -8.850 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.566 -7.698 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.273 -6.697 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.656 -6.352 -3.414 1.00 0.00 H new ATOM 845 N ASN A 60 8.126 -8.739 -0.636 1.00 0.00 N ATOM 846 CA ASN A 60 9.150 -9.697 -0.234 1.00 0.00 C ATOM 847 C ASN A 60 8.524 -10.907 0.453 1.00 0.00 C ATOM 848 O ASN A 60 8.440 -10.962 1.680 1.00 0.00 O ATOM 849 CB ASN A 60 10.161 -9.032 0.702 1.00 0.00 C ATOM 850 CG ASN A 60 11.474 -9.788 0.767 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.678 -10.526 1.852 1.00 0.00 O flip ATOM 852 ND2 ASN A 60 12.294 -9.709 -0.147 1.00 0.00 N flip ATOM 0 H ASN A 60 7.517 -8.430 0.121 1.00 0.00 H new ATOM 0 HA ASN A 60 9.665 -10.038 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.348 -8.013 0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.735 -8.963 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.095 -9.129 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.173 -10.223 -0.089 1.00 0.00 H new ATOM 859 N ARG A 61 8.086 -11.873 -0.348 1.00 0.00 N ATOM 860 CA ARG A 61 7.467 -13.082 0.183 1.00 0.00 C ATOM 861 C ARG A 61 8.354 -13.727 1.243 1.00 0.00 C ATOM 862 O ARG A 61 7.862 -14.268 2.235 1.00 0.00 O ATOM 863 CB ARG A 61 7.196 -14.079 -0.946 1.00 0.00 C ATOM 864 CG ARG A 61 8.450 -14.523 -1.680 1.00 0.00 C ATOM 865 CD ARG A 61 8.942 -13.452 -2.641 1.00 0.00 C ATOM 866 NE ARG A 61 9.713 -14.018 -3.745 1.00 0.00 N ATOM 867 CZ ARG A 61 9.858 -13.421 -4.922 1.00 0.00 C ATOM 868 NH1 ARG A 61 9.288 -12.245 -5.147 1.00 0.00 N ATOM 869 NH2 ARG A 61 10.574 -14.000 -5.877 1.00 0.00 N ATOM 0 H ARG A 61 8.148 -11.842 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 61 6.521 -12.802 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.697 -14.956 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.508 -13.628 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.233 -14.753 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.245 -15.441 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.089 -12.903 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.558 -12.734 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 61 10.165 -14.922 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.737 -11.797 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.401 -11.788 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.014 -14.905 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.685 -13.541 -6.781 1.00 0.00 H new ATOM 883 N LEU A 62 9.663 -13.667 1.028 1.00 0.00 N ATOM 884 CA LEU A 62 10.620 -14.245 1.965 1.00 0.00 C ATOM 885 C LEU A 62 10.253 -13.895 3.404 1.00 0.00 C ATOM 886 O LEU A 62 10.323 -14.741 4.295 1.00 0.00 O ATOM 887 CB LEU A 62 12.033 -13.751 1.652 1.00 0.00 C ATOM 888 CG LEU A 62 12.804 -14.544 0.596 1.00 0.00 C ATOM 889 CD1 LEU A 62 12.431 -14.074 -0.801 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.303 -14.417 0.822 1.00 0.00 C ATOM 0 H LEU A 62 10.087 -13.224 0.213 1.00 0.00 H new ATOM 0 HA LEU A 62 10.589 -15.329 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.969 -12.714 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.611 -13.757 2.576 1.00 0.00 H new ATOM 0 HG LEU A 62 12.532 -15.595 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.989 -14.649 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.362 -14.219 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.674 -13.017 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.835 -14.988 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.593 -13.368 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.556 -14.804 1.809 1.00 0.00 H new ATOM 902 N GLN A 63 9.861 -12.644 3.621 1.00 0.00 N ATOM 903 CA GLN A 63 9.482 -12.183 4.951 1.00 0.00 C ATOM 904 C GLN A 63 8.043 -12.573 5.273 1.00 0.00 C ATOM 905 O GLN A 63 7.738 -12.991 6.390 1.00 0.00 O ATOM 906 CB GLN A 63 9.646 -10.665 5.054 1.00 0.00 C ATOM 907 CG GLN A 63 11.033 -10.233 5.501 1.00 0.00 C ATOM 908 CD GLN A 63 11.229 -10.356 7.000 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.816 -11.324 7.483 1.00 0.00 O ATOM 910 NE2 GLN A 63 10.736 -9.372 7.744 1.00 0.00 N ATOM 0 H GLN A 63 9.798 -11.932 2.893 1.00 0.00 H new ATOM 0 HA GLN A 63 10.140 -12.663 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.430 -10.218 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.909 -10.275 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.780 -10.840 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.202 -9.199 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.256 -8.588 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.837 -9.400 8.759 1.00 0.00 H new ATOM 919 N SER A 64 7.162 -12.433 4.287 1.00 0.00 N ATOM 920 CA SER A 64 5.754 -12.767 4.467 1.00 0.00 C ATOM 921 C SER A 64 5.566 -14.276 4.598 1.00 0.00 C ATOM 922 O SER A 64 6.270 -15.057 3.960 1.00 0.00 O ATOM 923 CB SER A 64 4.929 -12.239 3.291 1.00 0.00 C ATOM 924 OG SER A 64 3.602 -12.735 3.337 1.00 0.00 O ATOM 0 H SER A 64 7.399 -12.091 3.356 1.00 0.00 H new ATOM 0 HA SER A 64 5.408 -12.294 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.914 -11.149 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.398 -12.533 2.352 1.00 0.00 H new ATOM 0 HG SER A 64 3.187 -12.482 4.188 1.00 0.00 H new ATOM 930 N ASN A 65 4.611 -14.676 5.431 1.00 0.00 N ATOM 931 CA ASN A 65 4.330 -16.091 5.648 1.00 0.00 C ATOM 932 C ASN A 65 2.829 -16.361 5.597 1.00 0.00 C ATOM 933 O ASN A 65 2.319 -16.896 4.614 1.00 0.00 O ATOM 934 CB ASN A 65 4.896 -16.544 6.995 1.00 0.00 C ATOM 935 CG ASN A 65 4.753 -15.483 8.069 1.00 0.00 C ATOM 936 OD1 ASN A 65 5.343 -14.407 7.976 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.966 -15.784 9.096 1.00 0.00 N ATOM 0 H ASN A 65 4.019 -14.041 5.967 1.00 0.00 H new ATOM 0 HA ASN A 65 4.811 -16.658 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.384 -17.452 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.949 -16.797 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.831 -15.110 9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.497 -16.689 9.131 1.00 0.00 H new ATOM 944 N GLU A 66 2.130 -15.986 6.663 1.00 0.00 N ATOM 945 CA GLU A 66 0.688 -16.188 6.740 1.00 0.00 C ATOM 946 C GLU A 66 -0.010 -14.938 7.268 1.00 0.00 C ATOM 947 O GLU A 66 -0.894 -14.383 6.615 1.00 0.00 O ATOM 948 CB GLU A 66 0.365 -17.384 7.638 1.00 0.00 C ATOM 949 CG GLU A 66 -1.115 -17.529 7.950 1.00 0.00 C ATOM 950 CD GLU A 66 -1.853 -18.345 6.906 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.393 -19.462 6.591 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.891 -17.865 6.404 1.00 0.00 O ATOM 0 H GLU A 66 2.538 -15.541 7.485 1.00 0.00 H new ATOM 0 HA GLU A 66 0.322 -16.389 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.717 -18.296 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.917 -17.285 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.233 -18.002 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.567 -16.539 8.019 1.00 0.00 H new ATOM 959 N VAL A 67 0.394 -14.499 8.456 1.00 0.00 N ATOM 960 CA VAL A 67 -0.191 -13.315 9.073 1.00 0.00 C ATOM 961 C VAL A 67 0.830 -12.187 9.174 1.00 0.00 C ATOM 962 O VAL A 67 0.840 -11.427 10.143 1.00 0.00 O ATOM 963 CB VAL A 67 -0.736 -13.626 10.480 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.808 -14.702 10.411 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.394 -14.045 11.408 1.00 0.00 C ATOM 0 H VAL A 67 1.124 -14.946 9.010 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.015 -13.000 8.434 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.190 -12.721 10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.181 -14.909 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.629 -14.358 9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.383 -15.612 9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.009 -14.261 12.398 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.879 -14.937 11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.123 -13.238 11.481 1.00 0.00 H new ATOM 975 N THR A 68 1.689 -12.082 8.164 1.00 0.00 N ATOM 976 CA THR A 68 2.715 -11.047 8.138 1.00 0.00 C ATOM 977 C THR A 68 3.132 -10.722 6.708 1.00 0.00 C ATOM 978 O THR A 68 3.381 -11.621 5.904 1.00 0.00 O ATOM 979 CB THR A 68 3.960 -11.470 8.940 1.00 0.00 C ATOM 980 OG1 THR A 68 3.594 -11.764 10.293 1.00 0.00 O ATOM 981 CG2 THR A 68 5.014 -10.373 8.922 1.00 0.00 C ATOM 0 H THR A 68 1.694 -12.701 7.354 1.00 0.00 H new ATOM 0 HA THR A 68 2.280 -10.159 8.597 1.00 0.00 H new ATOM 0 HB THR A 68 4.379 -12.362 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.391 -12.034 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.884 -10.695 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.312 -10.171 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.603 -9.466 9.365 1.00 0.00 H new ATOM 989 N LEU A 69 3.206 -9.432 6.398 1.00 0.00 N ATOM 990 CA LEU A 69 3.594 -8.988 5.063 1.00 0.00 C ATOM 991 C LEU A 69 4.648 -7.888 5.141 1.00 0.00 C ATOM 992 O LEU A 69 4.476 -6.897 5.851 1.00 0.00 O ATOM 993 CB LEU A 69 2.370 -8.484 4.296 1.00 0.00 C ATOM 994 CG LEU A 69 1.620 -9.529 3.468 1.00 0.00 C ATOM 995 CD1 LEU A 69 0.252 -9.005 3.061 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.431 -9.919 2.241 1.00 0.00 C ATOM 0 H LEU A 69 3.003 -8.676 7.052 1.00 0.00 H new ATOM 0 HA LEU A 69 4.022 -9.839 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.673 -8.047 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.688 -7.682 3.630 1.00 0.00 H new ATOM 0 HG LEU A 69 1.478 -10.418 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.267 -9.762 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.330 -8.777 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.372 -8.101 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.882 -10.663 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.605 -9.037 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.388 -10.336 2.555 1.00 0.00 H new ATOM 1008 N THR A 70 5.739 -8.069 4.403 1.00 0.00 N ATOM 1009 CA THR A 70 6.821 -7.092 4.387 1.00 0.00 C ATOM 1010 C THR A 70 7.061 -6.560 2.979 1.00 0.00 C ATOM 1011 O THR A 70 7.409 -7.315 2.070 1.00 0.00 O ATOM 1012 CB THR A 70 8.131 -7.696 4.926 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.943 -8.155 6.269 1.00 0.00 O ATOM 1014 CG2 THR A 70 9.255 -6.671 4.888 1.00 0.00 C ATOM 0 H THR A 70 5.897 -8.883 3.809 1.00 0.00 H new ATOM 0 HA THR A 70 6.515 -6.271 5.035 1.00 0.00 H new ATOM 0 HB THR A 70 8.406 -8.538 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.439 -7.576 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.170 -7.120 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.416 -6.345 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.985 -5.812 5.503 1.00 0.00 H new ATOM 1022 N LEU A 71 6.873 -5.257 2.803 1.00 0.00 N ATOM 1023 CA LEU A 71 7.070 -4.623 1.504 1.00 0.00 C ATOM 1024 C LEU A 71 7.696 -3.241 1.661 1.00 0.00 C ATOM 1025 O LEU A 71 7.791 -2.713 2.770 1.00 0.00 O ATOM 1026 CB LEU A 71 5.737 -4.511 0.762 1.00 0.00 C ATOM 1027 CG LEU A 71 4.764 -3.454 1.286 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.673 -3.179 0.263 1.00 0.00 C ATOM 1029 CD2 LEU A 71 4.157 -3.897 2.609 1.00 0.00 C ATOM 0 H LEU A 71 6.584 -4.618 3.544 1.00 0.00 H new ATOM 0 HA LEU A 71 7.751 -5.245 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.945 -4.297 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.242 -5.481 0.797 1.00 0.00 H new ATOM 0 HG LEU A 71 5.317 -2.530 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.990 -2.424 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.124 -2.817 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.122 -4.098 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.467 -3.133 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.618 -4.834 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.950 -4.042 3.343 1.00 0.00 H new ATOM 1041 N THR A 72 8.119 -2.658 0.544 1.00 0.00 N ATOM 1042 CA THR A 72 8.735 -1.337 0.557 1.00 0.00 C ATOM 1043 C THR A 72 7.794 -0.287 -0.022 1.00 0.00 C ATOM 1044 O THR A 72 7.535 -0.267 -1.225 1.00 0.00 O ATOM 1045 CB THR A 72 10.054 -1.324 -0.238 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.899 -2.395 0.196 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.777 0.003 -0.064 1.00 0.00 C ATOM 0 H THR A 72 8.046 -3.080 -0.382 1.00 0.00 H new ATOM 0 HA THR A 72 8.946 -1.096 1.599 1.00 0.00 H new ATOM 0 HB THR A 72 9.818 -1.455 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.735 -2.380 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.706 -0.011 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.142 0.813 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.002 0.159 0.991 1.00 0.00 H new ATOM 1055 N VAL A 73 7.286 0.587 0.842 1.00 0.00 N ATOM 1056 CA VAL A 73 6.375 1.642 0.415 1.00 0.00 C ATOM 1057 C VAL A 73 6.834 2.267 -0.897 1.00 0.00 C ATOM 1058 O VAL A 73 7.966 2.734 -1.028 1.00 0.00 O ATOM 1059 CB VAL A 73 6.255 2.746 1.483 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.345 3.863 0.996 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.746 2.165 2.793 1.00 0.00 C ATOM 0 H VAL A 73 7.490 0.585 1.841 1.00 0.00 H new ATOM 0 HA VAL A 73 5.399 1.178 0.271 1.00 0.00 H new ATOM 0 HB VAL A 73 7.245 3.167 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.272 4.634 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.757 4.296 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.353 3.461 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.667 2.958 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.765 1.716 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.440 1.403 3.147 1.00 0.00 H new ATOM 1071 N PRO A 74 5.937 2.278 -1.894 1.00 0.00 N ATOM 1072 CA PRO A 74 6.227 2.845 -3.214 1.00 0.00 C ATOM 1073 C PRO A 74 6.352 4.364 -3.179 1.00 0.00 C ATOM 1074 O PRO A 74 6.046 4.997 -2.169 1.00 0.00 O ATOM 1075 CB PRO A 74 5.016 2.428 -4.053 1.00 0.00 C ATOM 1076 CG PRO A 74 3.916 2.244 -3.065 1.00 0.00 C ATOM 1077 CD PRO A 74 4.569 1.739 -1.808 1.00 0.00 C ATOM 0 HA PRO A 74 7.179 2.491 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.763 3.191 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.213 1.507 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.394 3.183 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.176 1.533 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.052 2.094 -0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.568 0.650 -1.764 1.00 0.00 H new ATOM 1085 N GLU A 75 6.803 4.943 -4.287 1.00 0.00 N ATOM 1086 CA GLU A 75 6.968 6.388 -4.381 1.00 0.00 C ATOM 1087 C GLU A 75 5.710 7.045 -4.942 1.00 0.00 C ATOM 1088 O GLU A 75 4.952 6.423 -5.687 1.00 0.00 O ATOM 1089 CB GLU A 75 8.171 6.730 -5.263 1.00 0.00 C ATOM 1090 CG GLU A 75 9.509 6.419 -4.614 1.00 0.00 C ATOM 1091 CD GLU A 75 9.983 5.008 -4.901 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.128 4.141 -5.180 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.208 4.770 -4.848 1.00 0.00 O ATOM 0 H GLU A 75 7.061 4.433 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 75 7.141 6.774 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.093 6.177 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.137 7.790 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.255 7.129 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.427 6.558 -3.536 1.00 0.00 H new ATOM 1100 N TYR A 76 5.494 8.304 -4.578 1.00 0.00 N ATOM 1101 CA TYR A 76 4.327 9.044 -5.041 1.00 0.00 C ATOM 1102 C TYR A 76 4.557 9.603 -6.442 1.00 0.00 C ATOM 1103 O TYR A 76 5.640 10.099 -6.754 1.00 0.00 O ATOM 1104 CB TYR A 76 4.001 10.183 -4.073 1.00 0.00 C ATOM 1105 CG TYR A 76 2.663 10.836 -4.334 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.505 10.076 -4.435 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.558 12.214 -4.481 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.280 10.668 -4.675 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.337 12.815 -4.720 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.201 12.038 -4.816 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.016 12.633 -5.055 1.00 0.00 O ATOM 0 H TYR A 76 6.112 8.833 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 76 3.483 8.355 -5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.015 9.797 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.784 10.939 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.563 9.003 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.445 12.825 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.611 10.062 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.272 13.887 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.897 13.603 -5.128 1.00 0.00 H new ATOM 1121 N SER A 77 3.530 9.520 -7.281 1.00 0.00 N ATOM 1122 CA SER A 77 3.619 10.014 -8.650 1.00 0.00 C ATOM 1123 C SER A 77 4.220 11.416 -8.683 1.00 0.00 C ATOM 1124 O SER A 77 5.295 11.630 -9.241 1.00 0.00 O ATOM 1125 CB SER A 77 2.236 10.024 -9.303 1.00 0.00 C ATOM 1126 OG SER A 77 1.298 10.720 -8.500 1.00 0.00 O ATOM 0 H SER A 77 2.626 9.115 -7.037 1.00 0.00 H new ATOM 0 HA SER A 77 4.272 9.344 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.297 10.493 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.897 9.000 -9.459 1.00 0.00 H new ATOM 0 HG SER A 77 0.456 10.219 -8.472 1.00 0.00 H new ATOM 1132 N ASN A 78 3.515 12.369 -8.081 1.00 0.00 N ATOM 1133 CA ASN A 78 3.977 13.752 -8.042 1.00 0.00 C ATOM 1134 C ASN A 78 4.766 14.026 -6.765 1.00 0.00 C ATOM 1135 O ASN A 78 4.214 14.496 -5.770 1.00 0.00 O ATOM 1136 CB ASN A 78 2.789 14.711 -8.136 1.00 0.00 C ATOM 1137 CG ASN A 78 3.137 15.991 -8.872 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.962 16.825 -8.251 1.00 0.00 O flip ATOM 1139 ND2 ASN A 78 2.669 16.227 -9.986 1.00 0.00 N flip ATOM 0 H ASN A 78 2.622 12.209 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 78 4.635 13.914 -8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.964 14.214 -8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.442 14.955 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.038 15.557 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.912 17.092 -10.468 1.00 0.00 H new ATOM 1146 N LYS A 79 6.061 13.729 -6.801 1.00 0.00 N ATOM 1147 CA LYS A 79 6.928 13.944 -5.648 1.00 0.00 C ATOM 1148 C LYS A 79 7.435 15.382 -5.610 1.00 0.00 C ATOM 1149 O LYS A 79 8.505 15.658 -5.066 1.00 0.00 O ATOM 1150 CB LYS A 79 8.111 12.975 -5.687 1.00 0.00 C ATOM 1151 CG LYS A 79 7.839 11.654 -4.988 1.00 0.00 C ATOM 1152 CD LYS A 79 8.228 11.708 -3.520 1.00 0.00 C ATOM 1153 CE LYS A 79 9.723 11.498 -3.332 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.223 12.154 -2.093 1.00 0.00 N ATOM 0 H LYS A 79 6.533 13.339 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 79 6.345 13.759 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.375 12.779 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.975 13.451 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.781 11.406 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.395 10.858 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.939 12.672 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.680 10.944 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.937 10.430 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.257 11.896 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.256 12.046 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.981 13.165 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.782 11.710 -1.263 1.00 0.00 H new ATOM 1168 N ARG A 80 6.661 16.293 -6.189 1.00 0.00 N ATOM 1169 CA ARG A 80 7.033 17.703 -6.221 1.00 0.00 C ATOM 1170 C ARG A 80 6.026 18.548 -5.446 1.00 0.00 C ATOM 1171 O ARG A 80 5.690 19.660 -5.853 1.00 0.00 O ATOM 1172 CB ARG A 80 7.124 18.196 -7.666 1.00 0.00 C ATOM 1173 CG ARG A 80 8.301 17.618 -8.434 1.00 0.00 C ATOM 1174 CD ARG A 80 8.556 18.383 -9.723 1.00 0.00 C ATOM 1175 NE ARG A 80 9.362 19.580 -9.499 1.00 0.00 N ATOM 1176 CZ ARG A 80 10.096 20.158 -10.442 1.00 0.00 C ATOM 1177 NH1 ARG A 80 10.126 19.653 -11.668 1.00 0.00 N ATOM 1178 NH2 ARG A 80 10.803 21.246 -10.161 1.00 0.00 N ATOM 0 H ARG A 80 5.772 16.081 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 80 8.009 17.806 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.201 17.941 -8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.200 19.283 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.194 17.648 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.107 16.570 -8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.063 17.733 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.603 18.666 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 80 9.361 19.995 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.584 18.818 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.691 20.100 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.783 21.639 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.367 21.689 -10.886 1.00 0.00 H new ATOM 1192 N VAL A 81 5.547 18.012 -4.327 1.00 0.00 N ATOM 1193 CA VAL A 81 4.580 18.717 -3.495 1.00 0.00 C ATOM 1194 C VAL A 81 5.135 18.966 -2.098 1.00 0.00 C ATOM 1195 O VAL A 81 5.730 18.078 -1.487 1.00 0.00 O ATOM 1196 CB VAL A 81 3.261 17.929 -3.378 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.503 17.959 -4.697 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.533 16.497 -2.943 1.00 0.00 C ATOM 0 H VAL A 81 5.813 17.092 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 81 4.383 19.673 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 81 2.640 18.404 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.574 17.398 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.276 18.991 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.115 17.510 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.590 15.955 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.173 16.009 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.031 16.500 -1.973 1.00 0.00 H new ATOM 1208 N SER A 82 4.937 20.181 -1.596 1.00 0.00 N ATOM 1209 CA SER A 82 5.421 20.549 -0.271 1.00 0.00 C ATOM 1210 C SER A 82 4.350 20.302 0.787 1.00 0.00 C ATOM 1211 O SER A 82 4.371 20.904 1.861 1.00 0.00 O ATOM 1212 CB SER A 82 5.844 22.019 -0.250 1.00 0.00 C ATOM 1213 OG SER A 82 7.207 22.163 -0.612 1.00 0.00 O ATOM 0 H SER A 82 4.445 20.927 -2.087 1.00 0.00 H new ATOM 0 HA SER A 82 6.285 19.926 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.220 22.590 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.683 22.433 0.746 1.00 0.00 H new ATOM 0 HG SER A 82 7.452 23.112 -0.593 1.00 0.00 H new ATOM 1219 N ARG A 83 3.414 19.411 0.475 1.00 0.00 N ATOM 1220 CA ARG A 83 2.333 19.084 1.397 1.00 0.00 C ATOM 1221 C ARG A 83 1.981 17.601 1.318 1.00 0.00 C ATOM 1222 O ARG A 83 2.251 16.926 0.324 1.00 0.00 O ATOM 1223 CB ARG A 83 1.097 19.930 1.089 1.00 0.00 C ATOM 1224 CG ARG A 83 1.167 21.339 1.654 1.00 0.00 C ATOM 1225 CD ARG A 83 0.102 22.238 1.044 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.245 21.844 1.451 1.00 0.00 N ATOM 1227 CZ ARG A 83 -2.351 22.344 0.911 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -2.271 23.252 -0.052 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.540 21.936 1.334 1.00 0.00 N ATOM 0 H ARG A 83 3.383 18.903 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 83 2.673 19.306 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.966 19.987 0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.216 19.430 1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.040 21.305 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.154 21.760 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.284 23.270 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.177 22.203 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.341 21.147 2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.359 23.568 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.122 23.634 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.606 21.238 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.389 22.321 0.919 1.00 0.00 H new ATOM 1243 N PRO A 84 1.364 17.081 2.389 1.00 0.00 N ATOM 1244 CA PRO A 84 0.961 15.674 2.465 1.00 0.00 C ATOM 1245 C PRO A 84 -0.192 15.349 1.521 1.00 0.00 C ATOM 1246 O PRO A 84 -0.973 16.226 1.154 1.00 0.00 O ATOM 1247 CB PRO A 84 0.522 15.508 3.922 1.00 0.00 C ATOM 1248 CG PRO A 84 0.115 16.875 4.352 1.00 0.00 C ATOM 1249 CD PRO A 84 1.011 17.827 3.609 1.00 0.00 C ATOM 0 HA PRO A 84 1.768 15.003 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.305 14.803 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.334 15.124 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.933 17.062 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.227 16.995 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.500 18.761 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.895 18.085 4.192 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.292 14.082 1.131 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.351 13.641 0.230 1.00 0.00 C ATOM 1259 C VAL A 85 -2.060 12.408 0.778 1.00 0.00 C ATOM 1260 O VAL A 85 -1.427 11.517 1.344 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.799 13.321 -1.172 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.921 12.887 -2.102 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.059 14.523 -1.739 1.00 0.00 C ATOM 0 H VAL A 85 0.347 13.343 1.425 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.063 14.463 0.153 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.092 12.495 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.511 12.665 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.402 11.995 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.655 13.689 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.325 14.280 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.742 15.369 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.771 14.782 -1.082 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.377 12.364 0.606 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.173 11.239 1.084 1.00 0.00 C ATOM 1275 C GLN A 86 -4.265 10.148 0.023 1.00 0.00 C ATOM 1276 O GLN A 86 -4.754 10.382 -1.083 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.575 11.708 1.474 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.457 10.599 2.024 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.954 10.055 3.346 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.221 10.730 4.070 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.347 8.829 3.670 1.00 0.00 N ATOM 0 H GLN A 86 -3.916 13.094 0.139 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.679 10.825 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.490 12.497 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.058 12.146 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.471 10.977 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.509 9.788 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.955 8.305 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.041 8.411 4.549 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.792 8.954 0.366 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.822 7.825 -0.557 1.00 0.00 C ATOM 1292 C VAL A 87 -4.408 6.586 0.109 1.00 0.00 C ATOM 1293 O VAL A 87 -4.748 6.606 1.292 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.414 7.494 -1.085 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.797 8.709 -1.761 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.526 6.994 0.046 1.00 0.00 C ATOM 0 H VAL A 87 -3.383 8.743 1.276 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.456 8.118 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.500 6.701 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.802 8.455 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.424 9.018 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.722 9.526 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.534 6.765 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.445 7.765 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.962 6.094 0.480 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.524 5.508 -0.658 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.071 4.258 -0.143 1.00 0.00 C ATOM 1308 C TYR A 88 -4.439 3.058 -0.841 1.00 0.00 C ATOM 1309 O TYR A 88 -3.976 3.158 -1.977 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.589 4.228 -0.327 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.302 5.389 0.329 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.344 6.637 -0.280 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.934 5.237 1.557 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -7.994 7.701 0.316 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.587 6.295 2.159 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.614 7.525 1.535 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.263 8.582 2.131 1.00 0.00 O ATOM 0 H TYR A 88 -4.247 5.474 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.839 4.200 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.817 4.228 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.978 3.296 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.860 6.778 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.914 4.276 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.016 8.665 -0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.074 6.160 3.113 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.647 8.291 2.984 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.424 1.922 -0.152 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.849 0.700 -0.704 1.00 0.00 C ATOM 1329 C PHE A 89 -4.658 -0.522 -0.280 1.00 0.00 C ATOM 1330 O PHE A 89 -5.447 -0.461 0.663 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.395 0.546 -0.251 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.233 0.518 1.242 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.096 1.695 1.960 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.216 -0.686 1.928 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -1.946 1.672 3.334 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -2.067 -0.715 3.301 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.931 0.466 4.005 1.00 0.00 C ATOM 0 H PHE A 89 -4.803 1.822 0.790 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.878 0.773 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.988 -0.374 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.807 1.369 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.107 2.642 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.320 -1.612 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.841 2.597 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.057 -1.660 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.813 0.446 5.078 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.457 -1.630 -0.984 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.169 -2.866 -0.684 1.00 0.00 C ATOM 1349 C TYR A 90 -4.461 -4.067 -1.303 1.00 0.00 C ATOM 1350 O TYR A 90 -3.612 -3.917 -2.182 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.608 -2.788 -1.199 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.707 -2.641 -2.700 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.693 -1.387 -3.298 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.814 -3.757 -3.521 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.784 -1.248 -4.669 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.904 -3.628 -4.894 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.889 -2.371 -5.463 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.979 -2.238 -6.830 1.00 0.00 O ATOM 0 H TYR A 90 -3.807 -1.697 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.183 -2.993 0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.143 -3.687 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.109 -1.943 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.609 -0.505 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.827 -4.742 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.773 -0.265 -5.117 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.986 -4.506 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.046 -3.125 -7.241 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.817 -5.260 -0.837 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.218 -6.489 -1.345 1.00 0.00 C ATOM 1370 C VAL A 91 -5.158 -7.201 -2.311 1.00 0.00 C ATOM 1371 O VAL A 91 -6.377 -7.167 -2.144 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.853 -7.451 -0.198 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.127 -8.674 -0.737 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.009 -6.737 0.847 1.00 0.00 C ATOM 0 H VAL A 91 -5.517 -5.402 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.308 -6.203 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.774 -7.786 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.877 -9.342 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.770 -9.196 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.212 -8.362 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.760 -7.431 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.091 -6.372 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.570 -5.896 1.255 1.00 0.00 H new ATOM 1384 N SER A 92 -4.583 -7.845 -3.321 1.00 0.00 N ATOM 1385 CA SER A 92 -5.369 -8.563 -4.317 1.00 0.00 C ATOM 1386 C SER A 92 -4.927 -10.020 -4.411 1.00 0.00 C ATOM 1387 O SER A 92 -3.765 -10.310 -4.689 1.00 0.00 O ATOM 1388 CB SER A 92 -5.238 -7.889 -5.684 1.00 0.00 C ATOM 1389 OG SER A 92 -5.810 -8.689 -6.704 1.00 0.00 O ATOM 0 H SER A 92 -3.575 -7.884 -3.471 1.00 0.00 H new ATOM 0 HA SER A 92 -6.413 -8.538 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.729 -6.916 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.186 -7.710 -5.905 1.00 0.00 H new ATOM 0 HG SER A 92 -5.715 -8.235 -7.568 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.865 -10.932 -4.177 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.573 -12.360 -4.235 1.00 0.00 C ATOM 1397 C ASN A 93 -6.558 -13.080 -5.152 1.00 0.00 C ATOM 1398 O ASN A 93 -7.692 -13.358 -4.765 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.626 -12.970 -2.833 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.285 -12.910 -2.126 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.234 -12.887 -2.766 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.317 -12.884 -0.798 1.00 0.00 N ATOM 0 H ASN A 93 -6.833 -10.708 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.569 -12.484 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.371 -12.442 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.951 -14.008 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.447 -12.843 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.212 -12.905 -0.309 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.114 -13.380 -6.369 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.968 -14.065 -7.322 1.00 0.00 C ATOM 1411 C GLY A 94 -7.509 -13.135 -8.389 1.00 0.00 C ATOM 1412 O GLY A 94 -6.746 -12.435 -9.057 1.00 0.00 O ATOM 0 H GLY A 94 -5.179 -13.161 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.406 -14.869 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.800 -14.528 -6.792 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.827 -13.127 -8.553 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.469 -12.278 -9.549 1.00 0.00 C ATOM 1418 C ARG A 95 -10.432 -11.296 -8.888 1.00 0.00 C ATOM 1419 O ARG A 95 -10.442 -10.108 -9.211 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.218 -13.133 -10.573 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.304 -14.003 -9.961 1.00 0.00 C ATOM 1422 CD ARG A 95 -12.100 -14.734 -11.031 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.320 -15.795 -11.664 1.00 0.00 N ATOM 1424 CZ ARG A 95 -11.755 -16.513 -12.693 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -12.958 -16.285 -13.204 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -10.987 -17.461 -13.214 1.00 0.00 N ATOM 0 H ARG A 95 -9.472 -13.699 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.692 -11.709 -10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.666 -12.479 -11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.504 -13.771 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.853 -14.727 -9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.975 -13.384 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.999 -15.161 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.427 -14.023 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.390 -15.995 -11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.551 -15.557 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.290 -16.838 -13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.061 -17.639 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.322 -18.012 -14.004 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.241 -11.801 -7.963 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.209 -10.969 -7.258 1.00 0.00 C ATOM 1442 C ARG A 96 -11.909 -10.935 -5.762 1.00 0.00 C ATOM 1443 O ARG A 96 -12.150 -9.930 -5.092 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.628 -11.491 -7.492 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.227 -11.052 -8.818 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.739 -10.925 -8.731 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.321 -10.446 -9.982 1.00 0.00 N ATOM 1448 CZ ARG A 96 -16.578 -11.232 -11.022 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -16.306 -12.528 -10.960 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -17.108 -10.722 -12.126 1.00 0.00 N ATOM 0 H ARG A 96 -11.246 -12.782 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.133 -9.955 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.617 -12.580 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.271 -11.148 -6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.797 -10.095 -9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.965 -11.772 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.170 -11.894 -8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.999 -10.240 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.542 -9.453 -10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.899 -12.924 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.504 -13.130 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.319 -9.725 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.305 -11.327 -12.924 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.381 -12.039 -5.244 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.047 -12.136 -3.828 1.00 0.00 C ATOM 1466 C LYS A 97 -9.900 -11.195 -3.474 1.00 0.00 C ATOM 1467 O LYS A 97 -8.761 -11.403 -3.893 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.668 -13.575 -3.470 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.717 -14.598 -3.872 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.099 -15.965 -4.114 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.100 -16.926 -4.736 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.504 -18.271 -4.972 1.00 0.00 N ATOM 0 H LYS A 97 -11.175 -12.879 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.925 -11.843 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.724 -13.825 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.501 -13.641 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.472 -14.673 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.226 -14.263 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.234 -15.864 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.738 -16.374 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.966 -17.022 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.458 -16.517 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.217 -18.897 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.693 -18.183 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.185 -18.673 -4.067 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.208 -10.160 -2.699 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.203 -9.187 -2.289 1.00 0.00 C ATOM 1488 C ARG A 98 -9.606 -8.507 -0.983 1.00 0.00 C ATOM 1489 O ARG A 98 -10.680 -8.768 -0.441 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.002 -8.137 -3.383 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.301 -7.552 -3.911 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.904 -6.557 -2.932 1.00 0.00 C ATOM 1493 NE ARG A 98 -12.079 -5.889 -3.484 1.00 0.00 N ATOM 1494 CZ ARG A 98 -12.017 -4.812 -4.259 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.841 -4.284 -4.573 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -13.131 -4.261 -4.723 1.00 0.00 N ATOM 0 H ARG A 98 -11.145 -9.974 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.264 -9.717 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.383 -7.330 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.453 -8.587 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.117 -7.059 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.013 -8.356 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.180 -7.074 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.155 -5.811 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.999 -6.271 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.982 -4.705 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.796 -3.457 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.037 -4.664 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.081 -3.434 -5.318 1.00 0.00 H new ATOM 1510 N SER A 99 -8.737 -7.634 -0.484 1.00 0.00 N ATOM 1511 CA SER A 99 -9.000 -6.919 0.759 1.00 0.00 C ATOM 1512 C SER A 99 -9.379 -5.468 0.482 1.00 0.00 C ATOM 1513 O SER A 99 -9.044 -4.899 -0.557 1.00 0.00 O ATOM 1514 CB SER A 99 -7.773 -6.972 1.672 1.00 0.00 C ATOM 1515 OG SER A 99 -6.931 -5.851 1.461 1.00 0.00 O ATOM 0 H SER A 99 -7.845 -7.405 -0.922 1.00 0.00 H new ATOM 0 HA SER A 99 -9.838 -7.406 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.092 -7.000 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.216 -7.890 1.484 1.00 0.00 H new ATOM 0 HG SER A 99 -6.155 -5.908 2.057 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.096 -4.852 1.434 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.538 -3.459 1.317 1.00 0.00 C ATOM 1523 C PRO A 100 -9.378 -2.474 1.416 1.00 0.00 C ATOM 1524 O PRO A 100 -8.276 -2.834 1.831 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.489 -3.287 2.504 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.041 -4.302 3.498 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.532 -5.469 2.698 1.00 0.00 C ATOM 0 HA PRO A 100 -11.001 -3.258 0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.432 -2.279 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.525 -3.453 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.259 -3.899 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.864 -4.603 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.709 -5.974 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.311 -6.214 2.534 1.00 0.00 H new ATOM 1535 N THR A 101 -9.633 -1.227 1.032 1.00 0.00 N ATOM 1536 CA THR A 101 -8.611 -0.189 1.077 1.00 0.00 C ATOM 1537 C THR A 101 -8.425 0.339 2.495 1.00 0.00 C ATOM 1538 O THR A 101 -9.366 0.356 3.288 1.00 0.00 O ATOM 1539 CB THR A 101 -8.962 0.986 0.146 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.171 1.615 0.584 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.124 0.509 -1.290 1.00 0.00 C ATOM 0 H THR A 101 -10.539 -0.912 0.686 1.00 0.00 H new ATOM 0 HA THR A 101 -7.682 -0.646 0.738 1.00 0.00 H new ATOM 0 HB THR A 101 -8.145 1.706 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.386 2.362 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.372 1.356 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.192 0.058 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.924 -0.229 -1.340 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.207 0.769 2.807 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.900 1.298 4.131 1.00 0.00 C ATOM 1551 C GLN A 102 -6.490 2.765 4.049 1.00 0.00 C ATOM 1552 O GLN A 102 -5.605 3.131 3.276 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.784 0.480 4.783 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.199 -0.937 5.143 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.542 -0.991 5.845 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.665 -0.600 7.006 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.558 -1.478 5.141 1.00 0.00 N ATOM 0 H GLN A 102 -6.417 0.762 2.162 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.800 1.225 4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.932 0.439 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.449 0.992 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.243 -1.540 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.439 -1.382 5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.410 -1.791 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.486 -1.539 5.560 1.00 0.00 H new ATOM 1566 N SER A 103 -7.141 3.601 4.851 1.00 0.00 N ATOM 1567 CA SER A 103 -6.848 5.030 4.867 1.00 0.00 C ATOM 1568 C SER A 103 -5.366 5.277 5.134 1.00 0.00 C ATOM 1569 O SER A 103 -4.834 4.871 6.167 1.00 0.00 O ATOM 1570 CB SER A 103 -7.694 5.734 5.930 1.00 0.00 C ATOM 1571 OG SER A 103 -7.517 5.135 7.202 1.00 0.00 O ATOM 0 H SER A 103 -7.875 3.314 5.498 1.00 0.00 H new ATOM 0 HA SER A 103 -7.096 5.438 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.419 6.788 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.746 5.692 5.648 1.00 0.00 H new ATOM 0 HG SER A 103 -6.632 4.717 7.246 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.706 5.946 4.195 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.285 6.247 4.326 1.00 0.00 C ATOM 1579 C PHE A 104 -2.986 7.671 3.866 1.00 0.00 C ATOM 1580 O PHE A 104 -3.788 8.289 3.165 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.453 5.251 3.516 1.00 0.00 C ATOM 1582 CG PHE A 104 -1.050 5.087 4.026 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.791 4.300 5.136 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.009 5.719 3.395 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.499 4.147 5.608 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.301 5.570 3.862 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.547 4.782 4.969 1.00 0.00 C ATOM 0 H PHE A 104 -5.132 6.290 3.335 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.017 6.160 5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.950 4.281 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.417 5.580 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.606 3.800 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.177 6.335 2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.688 3.532 6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.118 6.069 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.556 4.662 5.335 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.827 8.184 4.265 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.422 9.535 3.895 1.00 0.00 C ATOM 1599 C ARG A 105 0.097 9.670 3.907 1.00 0.00 C ATOM 1600 O ARG A 105 0.769 9.155 4.801 1.00 0.00 O ATOM 1601 CB ARG A 105 -2.043 10.556 4.850 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.511 11.968 4.663 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.185 12.947 5.611 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.520 12.996 6.910 1.00 0.00 N ATOM 1605 CZ ARG A 105 -2.011 13.639 7.964 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.167 14.282 7.872 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -1.347 13.638 9.113 1.00 0.00 N ATOM 0 H ARG A 105 -1.152 7.685 4.844 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.779 9.730 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.124 10.562 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.858 10.240 5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.434 11.978 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.674 12.286 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.184 13.942 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.228 12.660 5.748 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.629 12.510 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.681 14.284 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.542 14.775 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.458 13.143 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.725 14.132 9.921 1.00 0.00 H new ATOM 1621 N PHE A 106 0.633 10.365 2.909 1.00 0.00 N ATOM 1622 CA PHE A 106 2.073 10.566 2.804 1.00 0.00 C ATOM 1623 C PHE A 106 2.468 11.948 3.317 1.00 0.00 C ATOM 1624 O PHE A 106 1.808 12.945 3.021 1.00 0.00 O ATOM 1625 CB PHE A 106 2.529 10.399 1.353 1.00 0.00 C ATOM 1626 CG PHE A 106 2.282 9.024 0.803 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.721 7.901 1.485 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.612 8.854 -0.398 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.496 6.633 0.981 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.383 7.589 -0.907 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.827 6.478 -0.217 1.00 0.00 C ATOM 0 H PHE A 106 0.091 10.798 2.161 1.00 0.00 H new ATOM 0 HA PHE A 106 2.565 9.814 3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.011 11.129 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.594 10.622 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.245 8.017 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.265 9.720 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.843 5.766 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.858 7.470 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.651 5.489 -0.614 1.00 0.00 H new ATOM 1641 N LEU A 107 3.549 12.000 4.087 1.00 0.00 N ATOM 1642 CA LEU A 107 4.033 13.259 4.642 1.00 0.00 C ATOM 1643 C LEU A 107 5.330 13.691 3.965 1.00 0.00 C ATOM 1644 O LEU A 107 6.206 12.877 3.670 1.00 0.00 O ATOM 1645 CB LEU A 107 4.253 13.124 6.150 1.00 0.00 C ATOM 1646 CG LEU A 107 3.115 12.475 6.939 1.00 0.00 C ATOM 1647 CD1 LEU A 107 3.627 11.928 8.262 1.00 0.00 C ATOM 1648 CD2 LEU A 107 1.991 13.473 7.171 1.00 0.00 C ATOM 0 H LEU A 107 4.107 11.185 4.341 1.00 0.00 H new ATOM 0 HA LEU A 107 3.277 14.022 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.160 12.542 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.433 14.117 6.561 1.00 0.00 H new ATOM 0 HG LEU A 107 2.721 11.644 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.803 11.470 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.397 11.180 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.048 12.741 8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.190 12.994 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.371 14.325 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.605 13.816 6.211 1.00 0.00 H new ATOM 1660 N PRO A 108 5.459 15.002 3.713 1.00 0.00 N ATOM 1661 CA PRO A 108 6.647 15.572 3.070 1.00 0.00 C ATOM 1662 C PRO A 108 7.874 15.524 3.974 1.00 0.00 C ATOM 1663 O PRO A 108 7.805 15.877 5.151 1.00 0.00 O ATOM 1664 CB PRO A 108 6.240 17.021 2.795 1.00 0.00 C ATOM 1665 CG PRO A 108 5.192 17.320 3.811 1.00 0.00 C ATOM 1666 CD PRO A 108 4.455 16.029 4.038 1.00 0.00 C ATOM 0 HA PRO A 108 6.932 15.019 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.090 17.696 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.854 17.138 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.638 17.683 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.516 18.098 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.108 15.940 5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.577 15.950 3.397 1.00 0.00 H new ATOM 1674 N VAL A 109 8.998 15.086 3.415 1.00 0.00 N ATOM 1675 CA VAL A 109 10.242 14.995 4.171 1.00 0.00 C ATOM 1676 C VAL A 109 11.204 16.111 3.782 1.00 0.00 C ATOM 1677 O VAL A 109 12.067 16.502 4.569 1.00 0.00 O ATOM 1678 CB VAL A 109 10.933 13.636 3.951 1.00 0.00 C ATOM 1679 CG1 VAL A 109 10.131 12.517 4.596 1.00 0.00 C ATOM 1680 CG2 VAL A 109 11.130 13.373 2.465 1.00 0.00 C ATOM 0 H VAL A 109 9.073 14.789 2.442 1.00 0.00 H new ATOM 0 HA VAL A 109 9.981 15.096 5.225 1.00 0.00 H new ATOM 0 HB VAL A 109 11.914 13.667 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.635 11.565 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.047 12.701 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.135 12.482 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.619 12.409 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.161 13.362 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.751 14.159 2.035 1.00 0.00 H new