USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 909 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 79 ASN : amide:sc= -4.34! C(o=-5.8!,f=-11!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.45 K(o=-5.8,f=-6.7) USER MOD Set 2.1: A 71 MET CE :methyl 142:sc= -2.13 (180deg=-0.271) USER MOD Set 2.2: A 73 CYS SG : rot 46:sc= -2.56 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.303 X(o=-2.7,f=-2.7) USER MOD Set 3.2: A 64 ASN : amide:sc= -2.42! C(o=-2.7!,f=-5.1!) USER MOD Single : A 16 TYR OH : rot 70:sc= -0.859 USER MOD Single : A 17 SER OG : rot 20:sc= 1.06 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0972 USER MOD Single : A 25 LYS NZ :NH3+ -98:sc= 1.24 (180deg=-0.101) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.829) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0666 K(o=-0.067,f=-0.71) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 45 ASN : amide:sc= -0.665 K(o=-0.66,f=-2.1!) USER MOD Single : A 46 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.56) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.201 (180deg=0.0409) USER MOD Single : A 48 THR OG1 : rot -140:sc= -0.0213 USER MOD Single : A 60 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.6!) USER MOD Single : A 70 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 74 THR OG1 : rot 22:sc= 0.422 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 22:sc= 0.0271 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0097 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 73:sc= 1.13 USER MOD Single : A 116 HIS : no HE2:sc= -1.97! C(o=-2!,f=-6.4!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 0.529 6.575 -12.911 1.00 0.00 N ATOM 97 CA ALA A 14 0.480 6.952 -11.503 1.00 0.00 C ATOM 98 C ALA A 14 1.145 8.305 -11.274 1.00 0.00 C ATOM 99 O ALA A 14 2.197 8.595 -11.843 1.00 0.00 O ATOM 100 CB ALA A 14 1.145 5.883 -10.648 1.00 0.00 C ATOM 0 HA ALA A 14 -0.567 7.037 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.102 6.177 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.624 4.935 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.186 5.771 -10.951 1.00 0.00 H new ATOM 106 N PHE A 15 0.524 9.129 -10.437 1.00 0.00 N ATOM 107 CA PHE A 15 1.055 10.453 -10.133 1.00 0.00 C ATOM 108 C PHE A 15 2.196 10.363 -9.125 1.00 0.00 C ATOM 109 O PHE A 15 3.259 10.955 -9.319 1.00 0.00 O ATOM 110 CB PHE A 15 -0.053 11.357 -9.588 1.00 0.00 C ATOM 111 CG PHE A 15 -0.764 10.781 -8.397 1.00 0.00 C ATOM 112 CD1 PHE A 15 -1.828 9.909 -8.564 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.370 11.112 -7.111 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.485 9.379 -7.470 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.023 10.584 -6.013 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.081 9.716 -6.193 1.00 0.00 C ATOM 0 H PHE A 15 -0.347 8.904 -9.957 1.00 0.00 H new ATOM 0 HA PHE A 15 1.443 10.882 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.377 12.320 -9.314 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.779 11.545 -10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.147 9.641 -9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.457 11.791 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.314 8.702 -7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.706 10.850 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.592 9.301 -5.337 1.00 0.00 H new ATOM 126 N TYR A 16 1.969 9.620 -8.047 1.00 0.00 N ATOM 127 CA TYR A 16 2.976 9.455 -7.006 1.00 0.00 C ATOM 128 C TYR A 16 3.754 8.158 -7.202 1.00 0.00 C ATOM 129 O TYR A 16 3.180 7.069 -7.196 1.00 0.00 O ATOM 130 CB TYR A 16 2.319 9.465 -5.625 1.00 0.00 C ATOM 131 CG TYR A 16 3.305 9.353 -4.484 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.385 10.221 -4.386 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.156 8.379 -3.504 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.289 10.122 -3.346 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.054 8.273 -2.460 1.00 0.00 C ATOM 136 CZ TYR A 16 5.119 9.147 -2.385 1.00 0.00 C ATOM 137 OH TYR A 16 6.016 9.046 -1.347 1.00 0.00 O ATOM 0 H TYR A 16 1.096 9.122 -7.872 1.00 0.00 H new ATOM 0 HA TYR A 16 3.673 10.290 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.747 10.386 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.610 8.640 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.520 10.986 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.324 7.693 -3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.124 10.804 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.923 7.510 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 16 5.910 9.814 -0.748 1.00 0.00 H new ATOM 147 N SER A 17 5.066 8.283 -7.377 1.00 0.00 N ATOM 148 CA SER A 17 5.925 7.121 -7.578 1.00 0.00 C ATOM 149 C SER A 17 7.231 7.271 -6.804 1.00 0.00 C ATOM 150 O SER A 17 8.063 8.119 -7.125 1.00 0.00 O ATOM 151 CB SER A 17 6.220 6.931 -9.067 1.00 0.00 C ATOM 152 OG SER A 17 7.093 7.938 -9.547 1.00 0.00 O ATOM 0 H SER A 17 5.557 9.177 -7.384 1.00 0.00 H new ATOM 0 HA SER A 17 5.400 6.242 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.667 5.950 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.288 6.954 -9.631 1.00 0.00 H new ATOM 0 HG SER A 17 7.565 8.348 -8.793 1.00 0.00 H new ATOM 158 N LYS A 18 7.404 6.440 -5.782 1.00 0.00 N ATOM 159 CA LYS A 18 8.609 6.476 -4.961 1.00 0.00 C ATOM 160 C LYS A 18 8.972 5.080 -4.466 1.00 0.00 C ATOM 161 O LYS A 18 8.138 4.374 -3.900 1.00 0.00 O ATOM 162 CB LYS A 18 8.410 7.416 -3.769 1.00 0.00 C ATOM 163 CG LYS A 18 9.578 7.423 -2.799 1.00 0.00 C ATOM 164 CD LYS A 18 10.659 8.399 -3.234 1.00 0.00 C ATOM 165 CE LYS A 18 10.235 9.840 -2.998 1.00 0.00 C ATOM 166 NZ LYS A 18 10.893 10.775 -3.953 1.00 0.00 N ATOM 0 H LYS A 18 6.725 5.733 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 18 9.428 6.848 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.249 8.429 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.506 7.125 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.224 7.691 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.999 6.420 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.578 8.194 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.880 8.252 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.153 9.921 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.484 10.129 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.578 11.747 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.925 10.717 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.636 10.515 -4.926 1.00 0.00 H new ATOM 180 N LYS A 19 10.223 4.688 -4.682 1.00 0.00 N ATOM 181 CA LYS A 19 10.699 3.377 -4.256 1.00 0.00 C ATOM 182 C LYS A 19 10.747 3.284 -2.734 1.00 0.00 C ATOM 183 O LYS A 19 11.140 4.235 -2.057 1.00 0.00 O ATOM 184 CB LYS A 19 12.087 3.102 -4.838 1.00 0.00 C ATOM 185 CG LYS A 19 13.185 3.953 -4.222 1.00 0.00 C ATOM 186 CD LYS A 19 13.102 5.395 -4.693 1.00 0.00 C ATOM 187 CE LYS A 19 14.472 6.055 -4.711 1.00 0.00 C ATOM 188 NZ LYS A 19 14.436 7.391 -5.369 1.00 0.00 N ATOM 0 H LYS A 19 10.926 5.260 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 19 10.001 2.626 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.330 2.049 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.062 3.278 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.107 3.919 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.158 3.539 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.668 5.428 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.436 5.955 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.836 6.163 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.178 5.411 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.389 7.808 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.113 7.285 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.781 8.014 -4.854 1.00 0.00 H new ATOM 202 N CYS A 20 10.346 2.134 -2.203 1.00 0.00 N ATOM 203 CA CYS A 20 10.344 1.918 -0.761 1.00 0.00 C ATOM 204 C CYS A 20 10.298 0.428 -0.435 1.00 0.00 C ATOM 205 O CYS A 20 9.954 -0.394 -1.284 1.00 0.00 O ATOM 206 CB CYS A 20 9.152 2.629 -0.119 1.00 0.00 C ATOM 207 SG CYS A 20 7.549 2.148 -0.804 1.00 0.00 S ATOM 0 H CYS A 20 10.018 1.337 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 20 11.267 2.333 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.154 2.424 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.278 3.705 -0.238 1.00 0.00 H new ATOM 0 HG CYS A 20 6.604 2.801 -0.196 1.00 0.00 H new ATOM 213 N LYS A 21 10.650 0.087 0.800 1.00 0.00 N ATOM 214 CA LYS A 21 10.650 -1.303 1.240 1.00 0.00 C ATOM 215 C LYS A 21 9.328 -1.662 1.911 1.00 0.00 C ATOM 216 O LYS A 21 8.479 -0.798 2.136 1.00 0.00 O ATOM 217 CB LYS A 21 11.809 -1.553 2.207 1.00 0.00 C ATOM 218 CG LYS A 21 13.159 -1.670 1.521 1.00 0.00 C ATOM 219 CD LYS A 21 13.876 -0.331 1.471 1.00 0.00 C ATOM 220 CE LYS A 21 13.592 0.404 0.170 1.00 0.00 C ATOM 221 NZ LYS A 21 14.658 1.393 -0.152 1.00 0.00 N ATOM 0 H LYS A 21 10.939 0.755 1.515 1.00 0.00 H new ATOM 0 HA LYS A 21 10.775 -1.936 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.848 -0.740 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.614 -2.468 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.776 -2.395 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.022 -2.049 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.560 0.284 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.950 -0.488 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.507 -0.317 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.632 0.915 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.428 1.873 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.722 2.096 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.570 0.902 -0.248 1.00 0.00 H new ATOM 235 N LEU A 22 9.159 -2.940 2.229 1.00 0.00 N ATOM 236 CA LEU A 22 7.940 -3.413 2.876 1.00 0.00 C ATOM 237 C LEU A 22 8.261 -4.442 3.956 1.00 0.00 C ATOM 238 O LEU A 22 9.126 -5.299 3.775 1.00 0.00 O ATOM 239 CB LEU A 22 6.993 -4.023 1.841 1.00 0.00 C ATOM 240 CG LEU A 22 5.993 -3.062 1.198 1.00 0.00 C ATOM 241 CD1 LEU A 22 5.307 -3.720 0.012 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.966 -2.598 2.221 1.00 0.00 C ATOM 0 H LEU A 22 9.851 -3.668 2.050 1.00 0.00 H new ATOM 0 HA LEU A 22 7.453 -2.559 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.593 -4.474 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.436 -4.829 2.318 1.00 0.00 H new ATOM 0 HG LEU A 22 6.537 -2.189 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.599 -3.021 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.054 -4.001 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.775 -4.611 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.262 -1.915 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.426 -3.461 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.473 -2.086 3.039 1.00 0.00 H new ATOM 254 N PHE A 23 7.557 -4.351 5.080 1.00 0.00 N ATOM 255 CA PHE A 23 7.766 -5.274 6.189 1.00 0.00 C ATOM 256 C PHE A 23 6.482 -5.456 6.994 1.00 0.00 C ATOM 257 O PHE A 23 5.757 -4.495 7.253 1.00 0.00 O ATOM 258 CB PHE A 23 8.884 -4.765 7.101 1.00 0.00 C ATOM 259 CG PHE A 23 10.159 -4.455 6.369 1.00 0.00 C ATOM 260 CD1 PHE A 23 11.128 -5.431 6.194 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.389 -3.189 5.857 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.302 -5.150 5.521 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.561 -2.902 5.183 1.00 0.00 C ATOM 264 CZ PHE A 23 12.519 -3.883 5.016 1.00 0.00 C ATOM 0 H PHE A 23 6.837 -3.648 5.246 1.00 0.00 H new ATOM 0 HA PHE A 23 8.056 -6.240 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.542 -3.867 7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.087 -5.514 7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.963 -6.423 6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.644 -2.417 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.048 -5.920 5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.728 -1.911 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.436 -3.660 4.491 1.00 0.00 H new ATOM 274 N TYR A 24 6.207 -6.696 7.385 1.00 0.00 N ATOM 275 CA TYR A 24 5.010 -7.006 8.158 1.00 0.00 C ATOM 276 C TYR A 24 5.376 -7.586 9.521 1.00 0.00 C ATOM 277 O TYR A 24 6.415 -8.228 9.677 1.00 0.00 O ATOM 278 CB TYR A 24 4.125 -7.991 7.393 1.00 0.00 C ATOM 279 CG TYR A 24 4.861 -9.222 6.916 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.628 -9.192 5.757 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.791 -10.415 7.624 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.301 -10.315 5.317 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.463 -11.543 7.193 1.00 0.00 C ATOM 284 CZ TYR A 24 6.216 -11.488 6.039 1.00 0.00 C ATOM 285 OH TYR A 24 6.887 -12.608 5.605 1.00 0.00 O ATOM 0 H TYR A 24 6.797 -7.502 7.179 1.00 0.00 H new ATOM 0 HA TYR A 24 4.459 -6.079 8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.299 -8.298 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.689 -7.483 6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.699 -8.275 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.201 -10.462 8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.890 -10.275 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.399 -12.462 7.757 1.00 0.00 H new ATOM 0 HH TYR A 24 6.724 -13.348 6.226 1.00 0.00 H new ATOM 295 N LYS A 25 4.514 -7.356 10.505 1.00 0.00 N ATOM 296 CA LYS A 25 4.743 -7.856 11.855 1.00 0.00 C ATOM 297 C LYS A 25 4.165 -9.258 12.021 1.00 0.00 C ATOM 298 O LYS A 25 2.955 -9.459 11.914 1.00 0.00 O ATOM 299 CB LYS A 25 4.118 -6.910 12.884 1.00 0.00 C ATOM 300 CG LYS A 25 4.722 -7.037 14.272 1.00 0.00 C ATOM 301 CD LYS A 25 5.900 -6.095 14.456 1.00 0.00 C ATOM 302 CE LYS A 25 6.599 -6.328 15.786 1.00 0.00 C ATOM 303 NZ LYS A 25 7.976 -5.764 15.796 1.00 0.00 N ATOM 0 H LYS A 25 3.650 -6.826 10.393 1.00 0.00 H new ATOM 0 HA LYS A 25 5.819 -7.904 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.235 -5.883 12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.048 -7.107 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.961 -6.820 15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.048 -8.064 14.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.610 -6.236 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.554 -5.063 14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.015 -5.875 16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.643 -7.398 15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.662 -6.520 15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.053 -5.024 15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.176 -5.353 16.730 1.00 0.00 H new ATOM 317 N LYS A 26 5.037 -10.225 12.285 1.00 0.00 N ATOM 318 CA LYS A 26 4.615 -11.608 12.469 1.00 0.00 C ATOM 319 C LYS A 26 5.429 -12.284 13.568 1.00 0.00 C ATOM 320 O LYS A 26 6.659 -12.265 13.542 1.00 0.00 O ATOM 321 CB LYS A 26 4.761 -12.386 11.159 1.00 0.00 C ATOM 322 CG LYS A 26 3.632 -12.136 10.174 1.00 0.00 C ATOM 323 CD LYS A 26 2.441 -13.038 10.451 1.00 0.00 C ATOM 324 CE LYS A 26 1.371 -12.316 11.256 1.00 0.00 C ATOM 325 NZ LYS A 26 0.344 -11.689 10.377 1.00 0.00 N ATOM 0 H LYS A 26 6.042 -10.076 12.376 1.00 0.00 H new ATOM 0 HA LYS A 26 3.567 -11.605 12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.707 -12.117 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.808 -13.452 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.321 -11.093 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.990 -12.306 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.017 -13.383 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.772 -13.923 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.888 -13.021 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.837 -11.549 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.367 -11.207 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.800 -10.998 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.119 -12.424 9.805 1.00 0.00 H new ATOM 339 N ASP A 27 4.734 -12.882 14.529 1.00 0.00 N ATOM 340 CA ASP A 27 5.392 -13.566 15.636 1.00 0.00 C ATOM 341 C ASP A 27 6.346 -12.626 16.366 1.00 0.00 C ATOM 342 O ASP A 27 7.435 -13.026 16.776 1.00 0.00 O ATOM 343 CB ASP A 27 6.154 -14.790 15.125 1.00 0.00 C ATOM 344 CG ASP A 27 6.268 -15.880 16.173 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.126 -15.566 17.373 1.00 0.00 O ATOM 346 OD2 ASP A 27 6.500 -17.047 15.792 1.00 0.00 O ATOM 0 H ASP A 27 3.715 -12.907 14.564 1.00 0.00 H new ATOM 0 HA ASP A 27 4.624 -13.892 16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.649 -15.188 14.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.153 -14.487 14.810 1.00 0.00 H new ATOM 351 N ASN A 28 5.928 -11.374 16.525 1.00 0.00 N ATOM 352 CA ASN A 28 6.746 -10.376 17.205 1.00 0.00 C ATOM 353 C ASN A 28 8.066 -10.162 16.469 1.00 0.00 C ATOM 354 O ASN A 28 9.128 -10.098 17.087 1.00 0.00 O ATOM 355 CB ASN A 28 7.018 -10.806 18.648 1.00 0.00 C ATOM 356 CG ASN A 28 7.434 -9.644 19.529 1.00 0.00 C ATOM 357 OD1 ASN A 28 7.175 -8.484 19.208 1.00 0.00 O ATOM 358 ND2 ASN A 28 8.082 -9.951 20.646 1.00 0.00 N ATOM 0 H ASN A 28 5.028 -11.027 16.192 1.00 0.00 H new ATOM 0 HA ASN A 28 6.196 -9.435 17.211 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.122 -11.269 19.061 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.801 -11.564 18.657 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.387 -9.211 21.279 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.275 -10.927 20.872 1.00 0.00 H new ATOM 365 N GLU A 29 7.988 -10.050 15.147 1.00 0.00 N ATOM 366 CA GLU A 29 9.177 -9.843 14.327 1.00 0.00 C ATOM 367 C GLU A 29 8.813 -9.193 12.996 1.00 0.00 C ATOM 368 O GLU A 29 7.737 -9.433 12.448 1.00 0.00 O ATOM 369 CB GLU A 29 9.891 -11.173 14.080 1.00 0.00 C ATOM 370 CG GLU A 29 11.356 -11.017 13.708 1.00 0.00 C ATOM 371 CD GLU A 29 12.236 -10.729 14.909 1.00 0.00 C ATOM 372 OE1 GLU A 29 12.100 -9.635 15.495 1.00 0.00 O ATOM 373 OE2 GLU A 29 13.060 -11.598 15.262 1.00 0.00 O ATOM 0 H GLU A 29 7.115 -10.099 14.621 1.00 0.00 H new ATOM 0 HA GLU A 29 9.848 -9.174 14.867 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.816 -11.788 14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.377 -11.709 13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.702 -11.928 13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.459 -10.208 12.985 1.00 0.00 H new ATOM 380 N PHE A 30 9.718 -8.367 12.480 1.00 0.00 N ATOM 381 CA PHE A 30 9.493 -7.681 11.214 1.00 0.00 C ATOM 382 C PHE A 30 10.028 -8.504 10.046 1.00 0.00 C ATOM 383 O PHE A 30 11.238 -8.613 9.850 1.00 0.00 O ATOM 384 CB PHE A 30 10.161 -6.304 11.230 1.00 0.00 C ATOM 385 CG PHE A 30 9.338 -5.246 11.908 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.240 -4.691 11.272 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.664 -4.808 13.181 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.480 -3.717 11.894 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.908 -3.835 13.808 1.00 0.00 C ATOM 390 CZ PHE A 30 7.815 -3.288 13.163 1.00 0.00 C ATOM 0 H PHE A 30 10.614 -8.157 12.920 1.00 0.00 H new ATOM 0 HA PHE A 30 8.418 -7.555 11.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.124 -6.382 11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.362 -5.995 10.204 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.974 -5.022 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.518 -5.231 13.689 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.626 -3.293 11.388 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.171 -3.503 14.801 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.224 -2.527 13.650 1.00 0.00 H new ATOM 400 N LYS A 31 9.116 -9.084 9.272 1.00 0.00 N ATOM 401 CA LYS A 31 9.493 -9.898 8.123 1.00 0.00 C ATOM 402 C LYS A 31 9.496 -9.066 6.844 1.00 0.00 C ATOM 403 O LYS A 31 8.854 -8.019 6.774 1.00 0.00 O ATOM 404 CB LYS A 31 8.534 -11.081 7.972 1.00 0.00 C ATOM 405 CG LYS A 31 8.941 -12.301 8.779 1.00 0.00 C ATOM 406 CD LYS A 31 9.874 -13.205 7.990 1.00 0.00 C ATOM 407 CE LYS A 31 10.028 -14.564 8.656 1.00 0.00 C ATOM 408 NZ LYS A 31 10.697 -15.548 7.760 1.00 0.00 N ATOM 0 H LYS A 31 8.110 -9.005 9.420 1.00 0.00 H new ATOM 0 HA LYS A 31 10.501 -10.275 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.535 -10.770 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.473 -11.356 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.432 -11.983 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.051 -12.860 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.487 -13.336 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.851 -12.731 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.607 -14.456 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.046 -14.942 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.783 -16.461 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.132 -15.671 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.644 -15.200 7.508 1.00 0.00 H new ATOM 422 N GLU A 32 10.221 -9.541 5.836 1.00 0.00 N ATOM 423 CA GLU A 32 10.306 -8.840 4.561 1.00 0.00 C ATOM 424 C GLU A 32 9.241 -9.344 3.591 1.00 0.00 C ATOM 425 O GLU A 32 9.196 -10.530 3.262 1.00 0.00 O ATOM 426 CB GLU A 32 11.696 -9.017 3.947 1.00 0.00 C ATOM 427 CG GLU A 32 12.029 -7.983 2.884 1.00 0.00 C ATOM 428 CD GLU A 32 13.509 -7.935 2.561 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.321 -8.265 3.451 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.856 -7.567 1.419 1.00 0.00 O ATOM 0 H GLU A 32 10.757 -10.408 5.878 1.00 0.00 H new ATOM 0 HA GLU A 32 10.132 -7.780 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.443 -8.965 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.766 -10.012 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.470 -8.208 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.703 -7.000 3.224 1.00 0.00 H new ATOM 437 N LYS A 33 8.384 -8.436 3.137 1.00 0.00 N ATOM 438 CA LYS A 33 7.320 -8.786 2.204 1.00 0.00 C ATOM 439 C LYS A 33 7.839 -8.814 0.770 1.00 0.00 C ATOM 440 O LYS A 33 7.480 -9.691 -0.014 1.00 0.00 O ATOM 441 CB LYS A 33 6.164 -7.789 2.320 1.00 0.00 C ATOM 442 CG LYS A 33 5.261 -7.761 1.099 1.00 0.00 C ATOM 443 CD LYS A 33 3.850 -7.326 1.458 1.00 0.00 C ATOM 444 CE LYS A 33 2.981 -8.515 1.840 1.00 0.00 C ATOM 445 NZ LYS A 33 3.084 -8.833 3.291 1.00 0.00 N ATOM 0 H LYS A 33 8.406 -7.451 3.401 1.00 0.00 H new ATOM 0 HA LYS A 33 6.960 -9.783 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.567 -8.038 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.571 -6.791 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.674 -7.080 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.233 -8.751 0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.886 -6.619 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.403 -6.804 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.942 -8.302 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.279 -9.385 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.236 -9.353 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.927 -9.418 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.161 -7.950 3.835 1.00 0.00 H new ATOM 459 N GLY A 34 8.689 -7.848 0.435 1.00 0.00 N ATOM 460 CA GLY A 34 9.246 -7.782 -0.904 1.00 0.00 C ATOM 461 C GLY A 34 9.554 -6.361 -1.334 1.00 0.00 C ATOM 462 O GLY A 34 8.724 -5.465 -1.180 1.00 0.00 O ATOM 0 H GLY A 34 9.002 -7.110 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.159 -8.377 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.544 -8.228 -1.609 1.00 0.00 H new ATOM 466 N ILE A 35 10.751 -6.155 -1.874 1.00 0.00 N ATOM 467 CA ILE A 35 11.166 -4.833 -2.326 1.00 0.00 C ATOM 468 C ILE A 35 10.433 -4.434 -3.603 1.00 0.00 C ATOM 469 O ILE A 35 10.076 -5.284 -4.418 1.00 0.00 O ATOM 470 CB ILE A 35 12.684 -4.776 -2.580 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.448 -5.247 -1.341 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.104 -3.365 -2.963 1.00 0.00 C ATOM 473 CD1 ILE A 35 12.884 -4.712 -0.043 1.00 0.00 C ATOM 0 H ILE A 35 11.449 -6.886 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 35 10.912 -4.133 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 35 12.925 -5.443 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.438 -6.337 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.490 -4.940 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.179 -3.341 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.581 -3.063 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.853 -2.679 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.475 -5.087 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 35 12.919 -3.623 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.851 -5.041 0.067 1.00 0.00 H new ATOM 485 N GLY A 36 10.214 -3.133 -3.771 1.00 0.00 N ATOM 486 CA GLY A 36 9.527 -2.643 -4.952 1.00 0.00 C ATOM 487 C GLY A 36 9.291 -1.147 -4.906 1.00 0.00 C ATOM 488 O GLY A 36 9.985 -0.422 -4.192 1.00 0.00 O ATOM 0 H GLY A 36 10.500 -2.410 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.113 -2.888 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.570 -3.156 -5.051 1.00 0.00 H new ATOM 492 N THR A 37 8.308 -0.681 -5.671 1.00 0.00 N ATOM 493 CA THR A 37 7.984 0.739 -5.717 1.00 0.00 C ATOM 494 C THR A 37 6.495 0.971 -5.485 1.00 0.00 C ATOM 495 O THR A 37 5.658 0.179 -5.921 1.00 0.00 O ATOM 496 CB THR A 37 8.385 1.364 -7.067 1.00 0.00 C ATOM 497 OG1 THR A 37 9.770 1.113 -7.330 1.00 0.00 O ATOM 498 CG2 THR A 37 8.127 2.863 -7.067 1.00 0.00 C ATOM 0 H THR A 37 7.723 -1.267 -6.267 1.00 0.00 H new ATOM 0 HA THR A 37 8.552 1.218 -4.920 1.00 0.00 H new ATOM 0 HB THR A 37 7.778 0.907 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.017 1.512 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.418 3.282 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.067 3.050 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.711 3.333 -6.276 1.00 0.00 H new ATOM 506 N LEU A 38 6.170 2.061 -4.798 1.00 0.00 N ATOM 507 CA LEU A 38 4.781 2.397 -4.509 1.00 0.00 C ATOM 508 C LEU A 38 4.191 3.268 -5.614 1.00 0.00 C ATOM 509 O LEU A 38 4.852 4.172 -6.127 1.00 0.00 O ATOM 510 CB LEU A 38 4.679 3.120 -3.165 1.00 0.00 C ATOM 511 CG LEU A 38 3.293 3.642 -2.787 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.139 3.700 -1.275 1.00 0.00 C ATOM 513 CD2 LEU A 38 3.053 5.013 -3.402 1.00 0.00 C ATOM 0 H LEU A 38 6.850 2.727 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 38 4.211 1.469 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.015 2.439 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.372 3.961 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 38 2.546 2.953 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.146 4.074 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.267 2.701 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.894 4.367 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.061 5.369 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.806 5.712 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.120 4.942 -4.488 1.00 0.00 H new ATOM 525 N HIS A 39 2.941 2.992 -5.975 1.00 0.00 N ATOM 526 CA HIS A 39 2.260 3.752 -7.017 1.00 0.00 C ATOM 527 C HIS A 39 0.816 4.042 -6.622 1.00 0.00 C ATOM 528 O HIS A 39 0.038 3.125 -6.353 1.00 0.00 O ATOM 529 CB HIS A 39 2.296 2.988 -8.341 1.00 0.00 C ATOM 530 CG HIS A 39 3.660 2.917 -8.955 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.071 3.750 -9.974 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.711 2.107 -8.687 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.314 3.454 -10.308 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.726 2.460 -9.541 1.00 0.00 N ATOM 0 H HIS A 39 2.380 2.248 -5.561 1.00 0.00 H new ATOM 0 HA HIS A 39 2.782 4.701 -7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.927 1.975 -8.177 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.614 3.465 -9.045 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.745 1.328 -7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.895 3.941 -11.077 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.648 2.026 -9.578 1.00 0.00 H new ATOM 542 N LEU A 40 0.462 5.322 -6.587 1.00 0.00 N ATOM 543 CA LEU A 40 -0.889 5.733 -6.224 1.00 0.00 C ATOM 544 C LEU A 40 -1.685 6.141 -7.460 1.00 0.00 C ATOM 545 O LEU A 40 -1.354 7.120 -8.130 1.00 0.00 O ATOM 546 CB LEU A 40 -0.841 6.894 -5.229 1.00 0.00 C ATOM 547 CG LEU A 40 -0.515 6.524 -3.782 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.391 7.775 -2.926 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.579 5.593 -3.217 1.00 0.00 C ATOM 0 H LEU A 40 1.093 6.093 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.387 4.883 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.098 7.613 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.806 7.400 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 40 0.442 6.002 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.159 7.492 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.407 8.406 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.332 8.325 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.331 5.340 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.549 6.089 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.620 4.682 -3.814 1.00 0.00 H new ATOM 561 N LYS A 41 -2.738 5.386 -7.755 1.00 0.00 N ATOM 562 CA LYS A 41 -3.584 5.669 -8.908 1.00 0.00 C ATOM 563 C LYS A 41 -5.041 5.828 -8.487 1.00 0.00 C ATOM 564 O LYS A 41 -5.526 5.157 -7.576 1.00 0.00 O ATOM 565 CB LYS A 41 -3.461 4.550 -9.945 1.00 0.00 C ATOM 566 CG LYS A 41 -2.075 4.437 -10.556 1.00 0.00 C ATOM 567 CD LYS A 41 -1.187 3.500 -9.755 1.00 0.00 C ATOM 568 CE LYS A 41 -1.542 2.043 -10.009 1.00 0.00 C ATOM 569 NZ LYS A 41 -0.846 1.503 -11.209 1.00 0.00 N ATOM 0 H LYS A 41 -3.026 4.573 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.248 6.606 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.721 3.601 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.187 4.721 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.157 4.075 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.615 5.424 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.143 3.673 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.289 3.720 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.276 1.447 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.620 1.950 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.115 0.508 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.119 2.055 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.183 1.568 -11.072 1.00 0.00 H new ATOM 583 N PRO A 42 -5.758 6.737 -9.166 1.00 0.00 N ATOM 584 CA PRO A 42 -7.171 7.003 -8.880 1.00 0.00 C ATOM 585 C PRO A 42 -8.074 5.843 -9.287 1.00 0.00 C ATOM 586 O PRO A 42 -7.924 5.276 -10.370 1.00 0.00 O ATOM 587 CB PRO A 42 -7.477 8.241 -9.728 1.00 0.00 C ATOM 588 CG PRO A 42 -6.488 8.191 -10.841 1.00 0.00 C ATOM 589 CD PRO A 42 -5.245 7.573 -10.263 1.00 0.00 C ATOM 0 HA PRO A 42 -7.352 7.143 -7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.499 8.220 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.371 9.156 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.867 7.599 -11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.284 9.190 -11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.710 6.979 -11.004 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.551 8.331 -9.900 1.00 0.00 H new ATOM 597 N THR A 43 -9.012 5.494 -8.412 1.00 0.00 N ATOM 598 CA THR A 43 -9.938 4.401 -8.680 1.00 0.00 C ATOM 599 C THR A 43 -11.289 4.928 -9.152 1.00 0.00 C ATOM 600 O THR A 43 -11.537 6.133 -9.131 1.00 0.00 O ATOM 601 CB THR A 43 -10.150 3.526 -7.430 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.073 2.470 -7.722 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.674 4.357 -6.269 1.00 0.00 C ATOM 0 H THR A 43 -9.150 5.953 -7.512 1.00 0.00 H new ATOM 0 HA THR A 43 -9.492 3.795 -9.468 1.00 0.00 H new ATOM 0 HB THR A 43 -9.188 3.100 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.201 1.917 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.816 3.717 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.956 5.141 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.626 4.809 -6.546 1.00 0.00 H new ATOM 611 N ALA A 44 -12.158 4.017 -9.578 1.00 0.00 N ATOM 612 CA ALA A 44 -13.484 4.391 -10.052 1.00 0.00 C ATOM 613 C ALA A 44 -14.080 5.505 -9.198 1.00 0.00 C ATOM 614 O ALA A 44 -14.661 6.456 -9.719 1.00 0.00 O ATOM 615 CB ALA A 44 -14.404 3.178 -10.058 1.00 0.00 C ATOM 0 H ALA A 44 -11.967 3.015 -9.604 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.386 4.764 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.391 3.472 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.993 2.413 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.487 2.779 -9.047 1.00 0.00 H new ATOM 621 N ASN A 45 -13.932 5.380 -7.884 1.00 0.00 N ATOM 622 CA ASN A 45 -14.457 6.376 -6.957 1.00 0.00 C ATOM 623 C ASN A 45 -13.412 7.448 -6.662 1.00 0.00 C ATOM 624 O ASN A 45 -12.277 7.368 -7.132 1.00 0.00 O ATOM 625 CB ASN A 45 -14.899 5.708 -5.654 1.00 0.00 C ATOM 626 CG ASN A 45 -16.011 6.472 -4.961 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.817 7.140 -5.609 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.059 6.376 -3.637 1.00 0.00 N ATOM 0 H ASN A 45 -13.453 4.599 -7.436 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.319 6.852 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -15.236 4.693 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -14.044 5.627 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.785 6.868 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.370 5.811 -3.141 1.00 0.00 H new ATOM 635 N GLN A 46 -13.804 8.450 -5.881 1.00 0.00 N ATOM 636 CA GLN A 46 -12.901 9.538 -5.525 1.00 0.00 C ATOM 637 C GLN A 46 -11.853 9.068 -4.521 1.00 0.00 C ATOM 638 O GLN A 46 -11.023 9.853 -4.061 1.00 0.00 O ATOM 639 CB GLN A 46 -13.690 10.713 -4.944 1.00 0.00 C ATOM 640 CG GLN A 46 -14.220 10.457 -3.542 1.00 0.00 C ATOM 641 CD GLN A 46 -14.907 11.670 -2.947 1.00 0.00 C ATOM 642 OE1 GLN A 46 -15.344 12.567 -3.669 1.00 0.00 O ATOM 643 NE2 GLN A 46 -15.006 11.704 -1.623 1.00 0.00 N ATOM 0 H GLN A 46 -14.740 8.531 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.390 9.865 -6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.051 11.596 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.527 10.939 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.922 9.624 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.395 10.158 -2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.630 10.939 -1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.458 12.496 -1.166 1.00 0.00 H new ATOM 652 N LYS A 47 -11.896 7.784 -4.186 1.00 0.00 N ATOM 653 CA LYS A 47 -10.949 7.208 -3.238 1.00 0.00 C ATOM 654 C LYS A 47 -9.625 6.884 -3.921 1.00 0.00 C ATOM 655 O LYS A 47 -9.524 6.907 -5.148 1.00 0.00 O ATOM 656 CB LYS A 47 -11.534 5.942 -2.607 1.00 0.00 C ATOM 657 CG LYS A 47 -12.700 6.210 -1.673 1.00 0.00 C ATOM 658 CD LYS A 47 -13.190 4.933 -1.010 1.00 0.00 C ATOM 659 CE LYS A 47 -12.294 4.529 0.150 1.00 0.00 C ATOM 660 NZ LYS A 47 -12.648 5.251 1.403 1.00 0.00 N ATOM 0 H LYS A 47 -12.577 7.121 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.763 7.944 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.862 5.269 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.749 5.425 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.397 6.925 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.517 6.667 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.209 5.076 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.221 4.129 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.376 3.455 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.254 4.734 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.807 5.324 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.990 6.205 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.394 4.729 1.905 1.00 0.00 H new ATOM 674 N THR A 48 -8.609 6.579 -3.118 1.00 0.00 N ATOM 675 CA THR A 48 -7.291 6.250 -3.645 1.00 0.00 C ATOM 676 C THR A 48 -6.991 4.764 -3.487 1.00 0.00 C ATOM 677 O THR A 48 -7.261 4.176 -2.440 1.00 0.00 O ATOM 678 CB THR A 48 -6.186 7.062 -2.943 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.416 8.464 -3.127 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.814 6.693 -3.486 1.00 0.00 C ATOM 0 H THR A 48 -8.675 6.553 -2.100 1.00 0.00 H new ATOM 0 HA THR A 48 -7.302 6.505 -4.705 1.00 0.00 H new ATOM 0 HB THR A 48 -6.213 6.826 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.562 8.917 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.051 7.280 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.629 5.632 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.777 6.903 -4.555 1.00 0.00 H new ATOM 688 N GLN A 49 -6.432 4.163 -4.532 1.00 0.00 N ATOM 689 CA GLN A 49 -6.096 2.745 -4.508 1.00 0.00 C ATOM 690 C GLN A 49 -4.608 2.542 -4.242 1.00 0.00 C ATOM 691 O GLN A 49 -3.762 2.962 -5.032 1.00 0.00 O ATOM 692 CB GLN A 49 -6.483 2.084 -5.833 1.00 0.00 C ATOM 693 CG GLN A 49 -5.968 0.662 -5.977 1.00 0.00 C ATOM 694 CD GLN A 49 -5.867 0.221 -7.424 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.515 0.790 -8.304 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.053 -0.796 -7.678 1.00 0.00 N ATOM 0 H GLN A 49 -6.202 4.636 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.659 2.279 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.569 2.079 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.098 2.686 -6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.987 0.586 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.631 -0.016 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.536 -1.237 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.945 -1.136 -8.633 1.00 0.00 H new ATOM 705 N LEU A 50 -4.295 1.896 -3.124 1.00 0.00 N ATOM 706 CA LEU A 50 -2.908 1.638 -2.752 1.00 0.00 C ATOM 707 C LEU A 50 -2.369 0.410 -3.479 1.00 0.00 C ATOM 708 O LEU A 50 -2.877 -0.699 -3.307 1.00 0.00 O ATOM 709 CB LEU A 50 -2.793 1.441 -1.240 1.00 0.00 C ATOM 710 CG LEU A 50 -1.428 1.752 -0.624 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.431 0.652 -0.953 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.918 3.100 -1.112 1.00 0.00 C ATOM 0 H LEU A 50 -4.983 1.541 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.312 2.502 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.540 2.069 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.047 0.407 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.541 1.799 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.534 0.890 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.791 -0.296 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.321 0.572 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.054 3.305 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.820 3.081 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.622 3.881 -0.825 1.00 0.00 H new ATOM 724 N LEU A 51 -1.338 0.614 -4.291 1.00 0.00 N ATOM 725 CA LEU A 51 -0.728 -0.477 -5.043 1.00 0.00 C ATOM 726 C LEU A 51 0.789 -0.471 -4.877 1.00 0.00 C ATOM 727 O LEU A 51 1.416 0.587 -4.842 1.00 0.00 O ATOM 728 CB LEU A 51 -1.091 -0.367 -6.524 1.00 0.00 C ATOM 729 CG LEU A 51 -0.598 -1.502 -7.422 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.467 -2.738 -7.245 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.584 -1.063 -8.879 1.00 0.00 C ATOM 0 H LEU A 51 -0.907 1.525 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.114 -1.417 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.176 -0.309 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.691 0.572 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 51 0.421 -1.754 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.101 -3.536 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.426 -3.066 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.497 -2.500 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.230 -1.884 -9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.592 -0.783 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.081 -0.207 -8.995 1.00 0.00 H new ATOM 743 N VAL A 52 1.372 -1.662 -4.777 1.00 0.00 N ATOM 744 CA VAL A 52 2.816 -1.794 -4.619 1.00 0.00 C ATOM 745 C VAL A 52 3.371 -2.880 -5.533 1.00 0.00 C ATOM 746 O VAL A 52 3.071 -4.062 -5.364 1.00 0.00 O ATOM 747 CB VAL A 52 3.193 -2.123 -3.162 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.699 -2.283 -3.023 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.674 -1.045 -2.222 1.00 0.00 C ATOM 0 H VAL A 52 0.867 -2.548 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 52 3.254 -0.834 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 52 2.725 -3.069 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.946 -2.515 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.040 -3.093 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.192 -1.356 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.949 -1.293 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.112 -0.084 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.589 -0.984 -2.302 1.00 0.00 H new ATOM 759 N ARG A 53 4.183 -2.472 -6.503 1.00 0.00 N ATOM 760 CA ARG A 53 4.781 -3.410 -7.445 1.00 0.00 C ATOM 761 C ARG A 53 6.167 -3.843 -6.976 1.00 0.00 C ATOM 762 O ARG A 53 6.974 -3.018 -6.549 1.00 0.00 O ATOM 763 CB ARG A 53 4.874 -2.779 -8.836 1.00 0.00 C ATOM 764 CG ARG A 53 5.690 -3.599 -9.822 1.00 0.00 C ATOM 765 CD ARG A 53 6.163 -2.751 -10.993 1.00 0.00 C ATOM 766 NE ARG A 53 6.575 -3.570 -12.130 1.00 0.00 N ATOM 767 CZ ARG A 53 7.220 -3.089 -13.187 1.00 0.00 C ATOM 768 NH1 ARG A 53 7.525 -1.800 -13.251 1.00 0.00 N ATOM 769 NH2 ARG A 53 7.562 -3.898 -14.182 1.00 0.00 N ATOM 0 H ARG A 53 4.442 -1.497 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 53 4.143 -4.292 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.868 -2.645 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.317 -1.787 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.551 -4.031 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.089 -4.429 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.362 -2.079 -11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.998 -2.126 -10.675 1.00 0.00 H new ATOM 0 HE ARG A 53 6.355 -4.566 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.264 -1.176 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.020 -1.433 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.330 -4.890 -14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.057 -3.528 -14.993 1.00 0.00 H new ATOM 783 N ALA A 54 6.436 -5.142 -7.060 1.00 0.00 N ATOM 784 CA ALA A 54 7.724 -5.683 -6.646 1.00 0.00 C ATOM 785 C ALA A 54 8.867 -5.032 -7.418 1.00 0.00 C ATOM 786 O ALA A 54 8.639 -4.239 -8.331 1.00 0.00 O ATOM 787 CB ALA A 54 7.748 -7.193 -6.838 1.00 0.00 C ATOM 0 H ALA A 54 5.779 -5.839 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 54 7.861 -5.459 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.716 -7.584 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.961 -7.649 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.584 -7.429 -7.890 1.00 0.00 H new ATOM 793 N ASP A 55 10.095 -5.371 -7.043 1.00 0.00 N ATOM 794 CA ASP A 55 11.274 -4.819 -7.701 1.00 0.00 C ATOM 795 C ASP A 55 11.767 -5.750 -8.804 1.00 0.00 C ATOM 796 O ASP A 55 12.520 -5.340 -9.688 1.00 0.00 O ATOM 797 CB ASP A 55 12.389 -4.582 -6.681 1.00 0.00 C ATOM 798 CG ASP A 55 13.612 -3.933 -7.299 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.440 -3.027 -8.141 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.740 -4.332 -6.943 1.00 0.00 O ATOM 0 H ASP A 55 10.300 -6.025 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 55 10.995 -3.867 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.013 -3.949 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.674 -5.533 -6.232 1.00 0.00 H new ATOM 859 N ASN A 60 5.078 -8.628 -9.197 1.00 0.00 N ATOM 860 CA ASN A 60 4.036 -9.352 -8.477 1.00 0.00 C ATOM 861 C ASN A 60 3.343 -8.444 -7.466 1.00 0.00 C ATOM 862 O ASN A 60 3.992 -7.657 -6.776 1.00 0.00 O ATOM 863 CB ASN A 60 4.629 -10.569 -7.765 1.00 0.00 C ATOM 864 CG ASN A 60 5.091 -10.246 -6.357 1.00 0.00 C ATOM 865 OD1 ASN A 60 6.231 -9.832 -6.146 1.00 0.00 O ATOM 866 ND2 ASN A 60 4.206 -10.435 -5.386 1.00 0.00 N ATOM 0 HA ASN A 60 3.296 -9.690 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.883 -11.363 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.471 -10.950 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.460 -10.235 -4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.272 -10.780 -5.607 1.00 0.00 H new ATOM 873 N ILE A 61 2.022 -8.560 -7.382 1.00 0.00 N ATOM 874 CA ILE A 61 1.242 -7.752 -6.453 1.00 0.00 C ATOM 875 C ILE A 61 1.634 -8.041 -5.009 1.00 0.00 C ATOM 876 O ILE A 61 1.360 -9.122 -4.484 1.00 0.00 O ATOM 877 CB ILE A 61 -0.269 -8.000 -6.623 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.727 -7.562 -8.015 1.00 0.00 C ATOM 879 CG2 ILE A 61 -1.051 -7.263 -5.546 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.175 -7.887 -8.305 1.00 0.00 C ATOM 0 H ILE A 61 1.470 -9.206 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 61 1.459 -6.709 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.461 -9.068 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.577 -6.487 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.098 -8.044 -8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.117 -7.448 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.741 -7.619 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.856 -6.193 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.430 -7.548 -9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.327 -8.964 -8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.813 -7.384 -7.579 1.00 0.00 H new ATOM 892 N LEU A 62 2.276 -7.069 -4.370 1.00 0.00 N ATOM 893 CA LEU A 62 2.705 -7.218 -2.983 1.00 0.00 C ATOM 894 C LEU A 62 1.571 -6.875 -2.023 1.00 0.00 C ATOM 895 O LEU A 62 1.222 -7.669 -1.148 1.00 0.00 O ATOM 896 CB LEU A 62 3.913 -6.323 -2.704 1.00 0.00 C ATOM 897 CG LEU A 62 5.254 -6.818 -3.247 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.338 -5.774 -3.025 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.641 -8.137 -2.594 1.00 0.00 C ATOM 0 H LEU A 62 2.511 -6.170 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 62 2.987 -8.259 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.715 -5.337 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.005 -6.196 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 62 5.150 -6.983 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.285 -6.144 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.067 -4.852 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.440 -5.577 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.598 -8.474 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.726 -7.998 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.877 -8.885 -2.804 1.00 0.00 H new ATOM 911 N LEU A 63 0.997 -5.689 -2.192 1.00 0.00 N ATOM 912 CA LEU A 63 -0.100 -5.241 -1.341 1.00 0.00 C ATOM 913 C LEU A 63 -1.026 -4.296 -2.100 1.00 0.00 C ATOM 914 O LEU A 63 -0.601 -3.244 -2.575 1.00 0.00 O ATOM 915 CB LEU A 63 0.447 -4.545 -0.094 1.00 0.00 C ATOM 916 CG LEU A 63 -0.556 -3.711 0.704 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.498 -4.613 1.486 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.170 -2.756 1.640 1.00 0.00 C ATOM 0 H LEU A 63 1.273 -5.020 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.674 -6.117 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.865 -5.304 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.270 -3.897 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.148 -3.122 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.204 -4.002 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.044 -5.256 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.922 -5.229 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.559 -2.171 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.788 -3.326 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.803 -2.086 1.057 1.00 0.00 H new ATOM 930 N ASN A 64 -2.294 -4.678 -2.207 1.00 0.00 N ATOM 931 CA ASN A 64 -3.282 -3.863 -2.906 1.00 0.00 C ATOM 932 C ASN A 64 -4.543 -3.696 -2.064 1.00 0.00 C ATOM 933 O ASN A 64 -5.340 -4.625 -1.928 1.00 0.00 O ATOM 934 CB ASN A 64 -3.634 -4.496 -4.253 1.00 0.00 C ATOM 935 CG ASN A 64 -4.739 -3.747 -4.973 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.729 -3.343 -4.363 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.574 -3.559 -6.277 1.00 0.00 N ATOM 0 H ASN A 64 -2.662 -5.546 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.849 -2.878 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.745 -4.520 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.942 -5.530 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.284 -3.062 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.737 -3.912 -6.741 1.00 0.00 H new ATOM 944 N VAL A 65 -4.719 -2.504 -1.501 1.00 0.00 N ATOM 945 CA VAL A 65 -5.884 -2.214 -0.675 1.00 0.00 C ATOM 946 C VAL A 65 -6.329 -0.765 -0.841 1.00 0.00 C ATOM 947 O VAL A 65 -5.554 0.087 -1.278 1.00 0.00 O ATOM 948 CB VAL A 65 -5.597 -2.484 0.815 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.413 -3.973 1.062 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.373 -1.704 1.270 1.00 0.00 C ATOM 0 H VAL A 65 -4.069 -1.724 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.682 -2.877 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.453 -2.147 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.211 -4.144 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.320 -4.504 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.575 -4.339 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.184 -1.906 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.508 -2.009 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.549 -0.637 1.131 1.00 0.00 H new ATOM 960 N LEU A 66 -7.580 -0.492 -0.489 1.00 0.00 N ATOM 961 CA LEU A 66 -8.129 0.855 -0.598 1.00 0.00 C ATOM 962 C LEU A 66 -8.094 1.569 0.749 1.00 0.00 C ATOM 963 O LEU A 66 -8.450 0.992 1.777 1.00 0.00 O ATOM 964 CB LEU A 66 -9.565 0.801 -1.122 1.00 0.00 C ATOM 965 CG LEU A 66 -9.722 0.659 -2.637 1.00 0.00 C ATOM 966 CD1 LEU A 66 -11.105 0.129 -2.983 1.00 0.00 C ATOM 967 CD2 LEU A 66 -9.473 1.993 -3.326 1.00 0.00 C ATOM 0 H LEU A 66 -8.234 -1.186 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.513 1.415 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.074 -0.036 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.080 1.709 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.981 -0.056 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.198 0.035 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.247 -0.848 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.863 0.820 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.589 1.873 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.190 2.729 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.461 2.333 -3.106 1.00 0.00 H new ATOM 979 N ILE A 67 -7.665 2.826 0.736 1.00 0.00 N ATOM 980 CA ILE A 67 -7.587 3.619 1.957 1.00 0.00 C ATOM 981 C ILE A 67 -8.978 3.923 2.504 1.00 0.00 C ATOM 982 O ILE A 67 -9.758 4.666 1.908 1.00 0.00 O ATOM 983 CB ILE A 67 -6.839 4.944 1.721 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.402 4.671 1.274 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.855 5.793 2.983 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.757 5.842 0.566 1.00 0.00 C ATOM 0 H ILE A 67 -7.366 3.318 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.035 3.025 2.685 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.347 5.495 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.802 4.409 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.395 3.806 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.322 6.726 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.886 6.012 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.368 5.250 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.740 5.577 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.334 6.091 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.732 6.703 1.234 1.00 0.00 H new ATOM 998 N PRO A 68 -9.297 3.338 3.668 1.00 0.00 N ATOM 999 CA PRO A 68 -10.593 3.533 4.324 1.00 0.00 C ATOM 1000 C PRO A 68 -10.756 4.945 4.877 1.00 0.00 C ATOM 1001 O PRO A 68 -9.805 5.723 4.948 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.573 2.512 5.463 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.127 2.295 5.751 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.416 2.440 4.434 1.00 0.00 C ATOM 0 HA PRO A 68 -11.424 3.401 3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.100 2.887 6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.062 1.583 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.760 3.023 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.958 1.307 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.420 2.865 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.292 1.478 3.936 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.990 5.285 5.278 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.306 6.605 5.833 1.00 0.00 C ATOM 1014 C PRO A 69 -11.692 6.815 7.213 1.00 0.00 C ATOM 1015 O PRO A 69 -11.618 7.941 7.705 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.834 6.595 5.923 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.198 5.155 6.028 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.171 4.408 5.222 1.00 0.00 C ATOM 0 HA PRO A 69 -11.907 7.412 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.183 7.156 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.285 7.054 5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.193 4.826 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.202 4.977 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.963 3.426 5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.504 4.247 4.197 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.254 5.725 7.833 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.647 5.790 9.158 1.00 0.00 C ATOM 1028 C ASN A 70 -9.474 4.821 9.267 1.00 0.00 C ATOM 1029 O ASN A 70 -9.662 3.605 9.302 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.686 5.475 10.235 1.00 0.00 C ATOM 1031 CG ASN A 70 -12.878 6.411 10.180 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -13.976 6.013 9.791 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -12.666 7.662 10.571 1.00 0.00 N ATOM 0 H ASN A 70 -11.308 4.785 7.440 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.274 6.803 9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.029 4.447 10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.219 5.543 11.218 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.430 8.337 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.739 7.948 10.886 1.00 0.00 H new ATOM 1040 N MET A 71 -8.264 5.368 9.321 1.00 0.00 N ATOM 1041 CA MET A 71 -7.061 4.551 9.429 1.00 0.00 C ATOM 1042 C MET A 71 -6.026 5.222 10.326 1.00 0.00 C ATOM 1043 O MET A 71 -5.594 6.349 10.081 1.00 0.00 O ATOM 1044 CB MET A 71 -6.464 4.299 8.043 1.00 0.00 C ATOM 1045 CG MET A 71 -5.452 3.165 8.014 1.00 0.00 C ATOM 1046 SD MET A 71 -4.173 3.407 6.767 1.00 0.00 S ATOM 1047 CE MET A 71 -3.048 4.493 7.642 1.00 0.00 C ATOM 0 H MET A 71 -8.091 6.373 9.292 1.00 0.00 H new ATOM 0 HA MET A 71 -7.339 3.597 9.876 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.270 4.074 7.345 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.984 5.212 7.692 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.985 3.075 8.995 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.970 2.226 7.820 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.020 4.227 7.396 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.236 5.525 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.203 4.388 8.716 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.618 4.517 11.392 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.630 5.026 12.347 1.00 0.00 C ATOM 1059 C PRO A 72 -3.231 5.109 11.744 1.00 0.00 C ATOM 1060 O PRO A 72 -2.721 4.131 11.198 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.664 3.994 13.477 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.141 2.740 12.830 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.091 3.168 11.746 1.00 0.00 C ATOM 0 HA PRO A 72 -4.861 6.041 12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.677 3.860 13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.334 4.306 14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.307 2.173 12.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.639 2.093 13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.056 2.493 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.122 3.183 12.098 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.617 6.282 11.848 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.276 6.493 11.312 1.00 0.00 C ATOM 1073 C CYS A 73 -0.277 6.755 12.435 1.00 0.00 C ATOM 1074 O CYS A 73 -0.539 7.546 13.342 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.276 7.665 10.329 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.400 7.454 8.929 1.00 0.00 S ATOM 0 H CYS A 73 -3.025 7.101 12.298 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.975 5.587 10.786 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.547 8.575 10.865 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.264 7.808 9.950 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.552 7.029 9.357 1.00 0.00 H new ATOM 1082 N THR A 74 0.869 6.085 12.369 1.00 0.00 N ATOM 1083 CA THR A 74 1.906 6.242 13.380 1.00 0.00 C ATOM 1084 C THR A 74 3.287 6.338 12.741 1.00 0.00 C ATOM 1085 O THR A 74 3.747 5.399 12.092 1.00 0.00 O ATOM 1086 CB THR A 74 1.896 5.072 14.382 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.721 3.833 13.686 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.785 5.246 15.406 1.00 0.00 C ATOM 0 H THR A 74 1.102 5.428 11.625 1.00 0.00 H new ATOM 0 HA THR A 74 1.690 7.168 13.913 1.00 0.00 H new ATOM 0 HB THR A 74 2.852 5.062 14.905 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.988 3.943 12.750 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.798 4.408 16.103 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.938 6.176 15.954 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.178 5.279 14.896 1.00 0.00 H new ATOM 1096 N ARG A 75 3.944 7.477 12.931 1.00 0.00 N ATOM 1097 CA ARG A 75 5.273 7.695 12.373 1.00 0.00 C ATOM 1098 C ARG A 75 6.355 7.289 13.369 1.00 0.00 C ATOM 1099 O ARG A 75 6.529 7.926 14.408 1.00 0.00 O ATOM 1100 CB ARG A 75 5.450 9.163 11.981 1.00 0.00 C ATOM 1101 CG ARG A 75 5.086 9.457 10.535 1.00 0.00 C ATOM 1102 CD ARG A 75 6.270 9.241 9.607 1.00 0.00 C ATOM 1103 NE ARG A 75 7.059 10.457 9.433 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.341 10.459 9.085 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.975 9.314 8.874 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.991 11.608 8.947 1.00 0.00 N ATOM 0 H ARG A 75 3.578 8.263 13.467 1.00 0.00 H new ATOM 0 HA ARG A 75 5.372 7.074 11.483 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.834 9.781 12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.487 9.453 12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.261 8.814 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.738 10.486 10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.905 8.451 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.912 8.900 8.636 1.00 0.00 H new ATOM 0 HE ARG A 75 6.600 11.355 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.478 8.429 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.959 9.318 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.506 12.491 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.975 11.608 8.680 1.00 0.00 H new ATOM 1120 N THR A 76 7.079 6.222 13.046 1.00 0.00 N ATOM 1121 CA THR A 76 8.142 5.729 13.912 1.00 0.00 C ATOM 1122 C THR A 76 9.504 5.854 13.238 1.00 0.00 C ATOM 1123 O THR A 76 9.591 6.085 12.033 1.00 0.00 O ATOM 1124 CB THR A 76 7.910 4.258 14.305 1.00 0.00 C ATOM 1125 OG1 THR A 76 8.914 3.834 15.234 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.936 3.359 13.078 1.00 0.00 C ATOM 0 H THR A 76 6.948 5.683 12.190 1.00 0.00 H new ATOM 0 HA THR A 76 8.127 6.345 14.811 1.00 0.00 H new ATOM 0 HB THR A 76 6.928 4.181 14.772 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.758 2.898 15.480 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.770 2.325 13.381 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.151 3.665 12.386 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.905 3.442 12.587 1.00 0.00 H new ATOM 1134 N GLY A 77 10.565 5.699 14.024 1.00 0.00 N ATOM 1135 CA GLY A 77 11.908 5.797 13.484 1.00 0.00 C ATOM 1136 C GLY A 77 12.186 7.152 12.863 1.00 0.00 C ATOM 1137 O GLY A 77 11.586 8.155 13.250 1.00 0.00 O ATOM 0 H GLY A 77 10.518 5.507 15.025 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.630 5.610 14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.052 5.020 12.733 1.00 0.00 H new ATOM 1141 N LYS A 78 13.100 7.183 11.899 1.00 0.00 N ATOM 1142 CA LYS A 78 13.457 8.425 11.223 1.00 0.00 C ATOM 1143 C LYS A 78 12.698 8.566 9.908 1.00 0.00 C ATOM 1144 O LYS A 78 12.003 9.557 9.685 1.00 0.00 O ATOM 1145 CB LYS A 78 14.964 8.472 10.962 1.00 0.00 C ATOM 1146 CG LYS A 78 15.425 9.752 10.286 1.00 0.00 C ATOM 1147 CD LYS A 78 16.906 9.703 9.950 1.00 0.00 C ATOM 1148 CE LYS A 78 17.153 9.007 8.621 1.00 0.00 C ATOM 1149 NZ LYS A 78 18.517 9.289 8.093 1.00 0.00 N ATOM 0 H LYS A 78 13.607 6.362 11.568 1.00 0.00 H new ATOM 0 HA LYS A 78 13.181 9.256 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.492 8.361 11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.243 7.622 10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.849 9.911 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.227 10.601 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.305 10.717 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.443 9.180 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.027 7.931 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.408 9.334 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.647 8.797 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.629 10.313 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.229 8.954 8.773 1.00 0.00 H new ATOM 1163 N ASN A 79 12.835 7.568 9.041 1.00 0.00 N ATOM 1164 CA ASN A 79 12.161 7.582 7.747 1.00 0.00 C ATOM 1165 C ASN A 79 11.171 6.426 7.638 1.00 0.00 C ATOM 1166 O ASN A 79 10.737 6.069 6.543 1.00 0.00 O ATOM 1167 CB ASN A 79 13.185 7.500 6.614 1.00 0.00 C ATOM 1168 CG ASN A 79 13.716 6.093 6.414 1.00 0.00 C ATOM 1169 OD1 ASN A 79 13.326 5.165 7.123 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.610 5.930 5.446 1.00 0.00 N ATOM 0 H ASN A 79 13.406 6.740 9.210 1.00 0.00 H new ATOM 0 HA ASN A 79 11.610 8.519 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.727 7.847 5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.016 8.172 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.003 5.006 5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.904 6.728 4.883 1.00 0.00 H new ATOM 1177 N ASN A 80 10.819 5.845 8.780 1.00 0.00 N ATOM 1178 CA ASN A 80 9.881 4.729 8.813 1.00 0.00 C ATOM 1179 C ASN A 80 8.448 5.228 8.982 1.00 0.00 C ATOM 1180 O ASN A 80 8.212 6.280 9.576 1.00 0.00 O ATOM 1181 CB ASN A 80 10.236 3.770 9.951 1.00 0.00 C ATOM 1182 CG ASN A 80 11.729 3.524 10.055 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.464 3.683 9.080 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.183 3.134 11.240 1.00 0.00 N ATOM 0 H ASN A 80 11.169 6.129 9.695 1.00 0.00 H new ATOM 0 HA ASN A 80 9.953 4.198 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.871 4.178 10.894 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.724 2.820 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.178 2.953 11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.537 3.015 12.020 1.00 0.00 H new ATOM 1191 N VAL A 81 7.496 4.464 8.455 1.00 0.00 N ATOM 1192 CA VAL A 81 6.087 4.827 8.549 1.00 0.00 C ATOM 1193 C VAL A 81 5.238 3.630 8.963 1.00 0.00 C ATOM 1194 O VAL A 81 4.988 2.726 8.165 1.00 0.00 O ATOM 1195 CB VAL A 81 5.559 5.378 7.211 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.107 5.810 7.347 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.425 6.533 6.732 1.00 0.00 C ATOM 0 H VAL A 81 7.675 3.591 7.959 1.00 0.00 H new ATOM 0 HA VAL A 81 6.010 5.604 9.309 1.00 0.00 H new ATOM 0 HB VAL A 81 5.608 4.584 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.751 6.196 6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.499 4.955 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.029 6.589 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.038 6.910 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.410 7.331 7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.449 6.187 6.593 1.00 0.00 H new ATOM 1207 N LEU A 82 4.796 3.631 10.216 1.00 0.00 N ATOM 1208 CA LEU A 82 3.973 2.545 10.738 1.00 0.00 C ATOM 1209 C LEU A 82 2.490 2.860 10.575 1.00 0.00 C ATOM 1210 O LEU A 82 2.059 3.994 10.788 1.00 0.00 O ATOM 1211 CB LEU A 82 4.295 2.299 12.213 1.00 0.00 C ATOM 1212 CG LEU A 82 5.375 1.254 12.498 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.751 1.264 13.972 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.903 -0.130 12.076 1.00 0.00 C ATOM 0 H LEU A 82 4.994 4.371 10.889 1.00 0.00 H new ATOM 0 HA LEU A 82 4.199 1.644 10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.605 3.244 12.659 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.379 1.993 12.718 1.00 0.00 H new ATOM 0 HG LEU A 82 6.261 1.507 11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.520 0.514 14.156 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.131 2.249 14.244 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.871 1.036 14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.684 -0.861 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.002 -0.392 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.684 -0.130 11.008 1.00 0.00 H new ATOM 1226 N ILE A 83 1.714 1.849 10.200 1.00 0.00 N ATOM 1227 CA ILE A 83 0.278 2.017 10.012 1.00 0.00 C ATOM 1228 C ILE A 83 -0.461 0.698 10.212 1.00 0.00 C ATOM 1229 O ILE A 83 0.151 -0.370 10.246 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.046 2.567 8.611 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.642 1.723 7.536 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.379 4.023 8.501 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.140 1.999 6.136 1.00 0.00 C ATOM 0 H ILE A 83 2.055 0.905 10.020 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.056 2.735 10.761 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.123 2.511 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.715 1.909 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.494 0.668 7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.143 4.397 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.153 4.615 9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.452 4.103 8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.672 1.365 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.928 1.785 6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.313 3.046 5.887 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.781 0.780 10.342 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.605 -0.408 10.536 1.00 0.00 C ATOM 1247 C VAL A 84 -3.605 -0.574 9.397 1.00 0.00 C ATOM 1248 O VAL A 84 -4.523 0.232 9.241 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.370 -0.349 11.871 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.898 -1.725 12.246 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.477 0.206 12.971 1.00 0.00 C ATOM 0 H VAL A 84 -2.303 1.656 10.317 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.929 -1.263 10.551 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.222 0.320 11.752 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.436 -1.663 13.192 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.573 -2.080 11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.064 -2.419 12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.033 0.241 13.908 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.605 -0.437 13.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.153 1.212 12.704 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.422 -1.625 8.605 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.309 -1.897 7.479 1.00 0.00 C ATOM 1263 C CYS A 85 -4.353 -3.391 7.171 1.00 0.00 C ATOM 1264 O CYS A 85 -3.361 -4.100 7.342 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.850 -1.123 6.243 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.223 -1.614 5.625 1.00 0.00 S ATOM 0 H CYS A 85 -2.668 -2.302 8.722 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.313 -1.570 7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.584 -1.259 5.449 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.831 -0.059 6.480 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.949 -2.818 6.033 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.510 -3.862 6.718 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.684 -5.271 6.387 1.00 0.00 C ATOM 1274 C VAL A 86 -4.881 -5.648 5.147 1.00 0.00 C ATOM 1275 O VAL A 86 -5.098 -5.124 4.054 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.167 -5.612 6.147 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.321 -7.071 5.744 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.991 -5.303 7.388 1.00 0.00 C ATOM 0 H VAL A 86 -6.341 -3.289 6.572 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.320 -5.843 7.240 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.537 -4.994 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.375 -7.293 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.763 -7.256 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.935 -7.710 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.036 -5.550 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.623 -5.895 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.905 -4.243 7.627 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.930 -6.578 5.318 1.00 0.00 N ATOM 1289 CA PRO A 87 -3.075 -7.047 4.223 1.00 0.00 C ATOM 1290 C PRO A 87 -3.844 -7.879 3.203 1.00 0.00 C ATOM 1291 O PRO A 87 -4.524 -8.840 3.559 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.027 -7.906 4.935 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.696 -8.362 6.185 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.616 -7.244 6.593 1.00 0.00 C ATOM 0 HA PRO A 87 -2.652 -6.220 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.723 -8.751 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.127 -7.331 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.253 -9.284 6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.964 -8.570 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.515 -7.621 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.134 -6.563 7.294 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.730 -7.504 1.933 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.415 -8.217 0.861 1.00 0.00 C ATOM 1304 C ASN A 88 -3.428 -8.658 -0.216 1.00 0.00 C ATOM 1305 O ASN A 88 -2.746 -7.844 -0.839 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.500 -7.332 0.244 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.830 -7.463 0.960 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -7.039 -6.869 2.017 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.737 -8.245 0.385 1.00 0.00 N ATOM 0 H ASN A 88 -3.170 -6.711 1.621 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.880 -9.106 1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.176 -6.292 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.628 -7.597 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.651 -8.372 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.520 -8.718 -0.492 1.00 0.00 H new ATOM 1316 N PRO A 89 -3.350 -9.978 -0.442 1.00 0.00 N ATOM 1317 CA PRO A 89 -4.157 -10.956 0.294 1.00 0.00 C ATOM 1318 C PRO A 89 -3.729 -11.082 1.752 1.00 0.00 C ATOM 1319 O PRO A 89 -2.624 -10.697 2.134 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.896 -12.266 -0.455 1.00 0.00 C ATOM 1321 CG PRO A 89 -2.563 -12.079 -1.092 1.00 0.00 C ATOM 1322 CD PRO A 89 -2.468 -10.617 -1.433 1.00 0.00 C ATOM 0 HA PRO A 89 -5.209 -10.671 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.894 -13.117 0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.668 -12.456 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.762 -12.374 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.468 -12.695 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.444 -10.252 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.799 -10.420 -2.452 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.622 -11.633 2.587 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.358 -11.822 4.016 1.00 0.00 C ATOM 1332 C PRO A 90 -3.308 -12.897 4.274 1.00 0.00 C ATOM 1333 O PRO A 90 -3.282 -13.927 3.599 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.716 -12.256 4.573 1.00 0.00 C ATOM 1335 CG PRO A 90 -6.423 -12.870 3.413 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.959 -12.113 2.199 1.00 0.00 C ATOM 0 HA PRO A 90 -3.960 -10.919 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.600 -12.970 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.271 -11.406 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.184 -13.930 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.504 -12.795 3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.916 -12.754 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.629 -11.287 1.960 1.00 0.00 H new ATOM 1344 N ILE A 91 -2.445 -12.652 5.254 1.00 0.00 N ATOM 1345 CA ILE A 91 -1.394 -13.600 5.601 1.00 0.00 C ATOM 1346 C ILE A 91 -1.948 -14.756 6.427 1.00 0.00 C ATOM 1347 O ILE A 91 -1.597 -15.915 6.205 1.00 0.00 O ATOM 1348 CB ILE A 91 -0.259 -12.919 6.388 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.338 -11.770 5.573 1.00 0.00 C ATOM 1350 CG2 ILE A 91 0.816 -13.933 6.751 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.072 -10.750 6.415 1.00 0.00 C ATOM 0 H ILE A 91 -2.453 -11.805 5.822 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.994 -13.985 4.663 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.671 -12.509 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.025 -12.179 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.461 -11.270 5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.611 -13.437 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.380 -14.721 7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.227 -14.369 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.469 -9.965 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.384 -10.313 7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.893 -11.236 6.942 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.817 -14.433 7.379 1.00 0.00 N ATOM 1364 CA ASP A 92 -3.422 -15.445 8.237 1.00 0.00 C ATOM 1365 C ASP A 92 -4.866 -15.713 7.825 1.00 0.00 C ATOM 1366 O ASP A 92 -5.384 -15.086 6.902 1.00 0.00 O ATOM 1367 CB ASP A 92 -3.370 -15.001 9.700 1.00 0.00 C ATOM 1368 CG ASP A 92 -1.967 -15.055 10.272 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -1.001 -14.970 9.484 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.834 -15.181 11.507 1.00 0.00 O ATOM 0 H ASP A 92 -3.118 -13.479 7.576 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.854 -16.368 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.754 -13.984 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.026 -15.638 10.293 1.00 0.00 H new ATOM 1375 N GLU A 93 -5.509 -16.649 8.516 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.893 -17.001 8.220 1.00 0.00 C ATOM 1377 C GLU A 93 -7.808 -16.641 9.387 1.00 0.00 C ATOM 1378 O GLU A 93 -8.961 -16.255 9.191 1.00 0.00 O ATOM 1379 CB GLU A 93 -7.008 -18.495 7.910 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.478 -18.875 6.538 1.00 0.00 C ATOM 1381 CD GLU A 93 -7.429 -18.494 5.419 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -8.618 -18.868 5.500 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -6.985 -17.823 4.465 1.00 0.00 O ATOM 0 H GLU A 93 -5.094 -17.177 9.284 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.206 -16.431 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.464 -19.058 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.054 -18.793 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.517 -18.386 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.298 -19.950 6.507 1.00 0.00 H new ATOM 1390 N LYS A 94 -7.286 -16.769 10.602 1.00 0.00 N ATOM 1391 CA LYS A 94 -8.053 -16.457 11.802 1.00 0.00 C ATOM 1392 C LYS A 94 -8.091 -14.952 12.047 1.00 0.00 C ATOM 1393 O LYS A 94 -9.157 -14.339 12.035 1.00 0.00 O ATOM 1394 CB LYS A 94 -7.451 -17.168 13.016 1.00 0.00 C ATOM 1395 CG LYS A 94 -7.561 -18.682 12.951 1.00 0.00 C ATOM 1396 CD LYS A 94 -7.216 -19.323 14.284 1.00 0.00 C ATOM 1397 CE LYS A 94 -5.718 -19.544 14.425 1.00 0.00 C ATOM 1398 NZ LYS A 94 -5.368 -20.153 15.739 1.00 0.00 N ATOM 0 H LYS A 94 -6.334 -17.087 10.782 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.074 -16.809 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.400 -16.892 13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.950 -16.814 13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.574 -18.962 12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.893 -19.064 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.569 -18.688 15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.736 -20.277 14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.369 -20.191 13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.199 -18.592 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.338 -20.288 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.678 -19.524 16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.843 -21.073 15.833 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.919 -14.364 12.268 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.819 -12.930 12.516 1.00 0.00 C ATOM 1414 C ASN A 95 -6.888 -12.147 11.209 1.00 0.00 C ATOM 1415 O ASN A 95 -6.619 -10.946 11.178 1.00 0.00 O ATOM 1416 CB ASN A 95 -5.515 -12.608 13.248 1.00 0.00 C ATOM 1417 CG ASN A 95 -5.511 -13.122 14.675 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -6.241 -12.619 15.530 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -4.687 -14.129 14.939 1.00 0.00 N ATOM 0 H ASN A 95 -6.027 -14.858 12.280 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.661 -12.634 13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.678 -13.047 12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.361 -11.529 13.253 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.641 -14.517 15.881 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.100 -14.515 14.199 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.250 -12.835 10.131 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.357 -12.203 8.821 1.00 0.00 C ATOM 1428 C ALA A 96 -8.071 -10.859 8.917 1.00 0.00 C ATOM 1429 O ALA A 96 -7.478 -9.809 8.665 1.00 0.00 O ATOM 1430 CB ALA A 96 -8.085 -13.121 7.851 1.00 0.00 C ATOM 0 H ALA A 96 -7.474 -13.830 10.139 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.349 -12.024 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.158 -12.637 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.533 -14.056 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.086 -13.329 8.229 1.00 0.00 H new ATOM 1436 N THR A 97 -9.349 -10.897 9.282 1.00 0.00 N ATOM 1437 CA THR A 97 -10.144 -9.682 9.409 1.00 0.00 C ATOM 1438 C THR A 97 -9.358 -8.581 10.112 1.00 0.00 C ATOM 1439 O THR A 97 -9.298 -7.448 9.637 1.00 0.00 O ATOM 1440 CB THR A 97 -11.448 -9.943 10.186 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.084 -11.126 9.692 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.397 -8.761 10.062 1.00 0.00 C ATOM 0 H THR A 97 -9.855 -11.756 9.495 1.00 0.00 H new ATOM 0 HA THR A 97 -10.391 -9.359 8.398 1.00 0.00 H new ATOM 0 HB THR A 97 -11.197 -10.079 11.238 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.911 -11.286 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.311 -8.968 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.920 -7.868 10.466 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.641 -8.599 9.012 1.00 0.00 H new ATOM 1450 N MET A 98 -8.756 -8.923 11.247 1.00 0.00 N ATOM 1451 CA MET A 98 -7.971 -7.963 12.014 1.00 0.00 C ATOM 1452 C MET A 98 -6.747 -7.508 11.227 1.00 0.00 C ATOM 1453 O MET A 98 -6.019 -8.313 10.644 1.00 0.00 O ATOM 1454 CB MET A 98 -7.536 -8.577 13.347 1.00 0.00 C ATOM 1455 CG MET A 98 -7.208 -7.545 14.413 1.00 0.00 C ATOM 1456 SD MET A 98 -6.715 -8.294 15.977 1.00 0.00 S ATOM 1457 CE MET A 98 -7.453 -7.155 17.146 1.00 0.00 C ATOM 0 H MET A 98 -8.797 -9.857 11.655 1.00 0.00 H new ATOM 0 HA MET A 98 -8.598 -7.093 12.210 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.330 -9.227 13.714 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.661 -9.205 13.180 1.00 0.00 H new ATOM 0 HG2 MET A 98 -6.405 -6.901 14.054 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.078 -6.909 14.577 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.235 -7.484 18.162 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.041 -6.158 16.992 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.532 -7.129 16.997 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.512 -6.188 11.207 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.375 -5.597 10.494 1.00 0.00 C ATOM 1469 C PRO A 99 -4.042 -5.923 11.158 1.00 0.00 C ATOM 1470 O PRO A 99 -3.986 -6.214 12.352 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.655 -4.093 10.566 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.503 -3.923 11.779 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.337 -5.170 11.879 1.00 0.00 C ATOM 0 HA PRO A 99 -5.287 -5.980 9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.730 -3.522 10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.169 -3.743 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.888 -3.792 12.670 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.133 -3.038 11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.538 -5.437 12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.303 -5.048 11.389 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.968 -5.872 10.375 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.634 -6.161 10.887 1.00 0.00 C ATOM 1483 C VAL A 100 -0.718 -4.950 10.749 1.00 0.00 C ATOM 1484 O VAL A 100 -0.903 -4.115 9.862 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.999 -7.357 10.155 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.003 -8.490 10.011 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.468 -6.929 8.795 1.00 0.00 C ATOM 0 H VAL A 100 -2.997 -5.633 9.384 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.747 -6.409 11.942 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.160 -7.720 10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.536 -9.326 9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.330 -8.814 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.864 -8.143 9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.023 -7.787 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.287 -6.539 8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.287 -6.154 8.927 1.00 0.00 H new ATOM 1497 N THR A 101 0.271 -4.859 11.632 1.00 0.00 N ATOM 1498 CA THR A 101 1.216 -3.750 11.610 1.00 0.00 C ATOM 1499 C THR A 101 2.120 -3.822 10.385 1.00 0.00 C ATOM 1500 O THR A 101 2.655 -4.881 10.059 1.00 0.00 O ATOM 1501 CB THR A 101 2.090 -3.730 12.878 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.274 -3.929 14.038 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.839 -2.412 12.999 1.00 0.00 C ATOM 0 H THR A 101 0.438 -5.541 12.372 1.00 0.00 H new ATOM 0 HA THR A 101 0.626 -2.834 11.570 1.00 0.00 H new ATOM 0 HB THR A 101 2.818 -4.537 12.803 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.837 -3.917 14.840 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.449 -2.422 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.481 -2.277 12.129 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.124 -1.591 13.053 1.00 0.00 H new ATOM 1511 N MET A 102 2.287 -2.689 9.710 1.00 0.00 N ATOM 1512 CA MET A 102 3.129 -2.625 8.521 1.00 0.00 C ATOM 1513 C MET A 102 4.101 -1.453 8.606 1.00 0.00 C ATOM 1514 O MET A 102 3.757 -0.384 9.113 1.00 0.00 O ATOM 1515 CB MET A 102 2.265 -2.497 7.265 1.00 0.00 C ATOM 1516 CG MET A 102 1.404 -3.720 6.992 1.00 0.00 C ATOM 1517 SD MET A 102 0.860 -3.817 5.276 1.00 0.00 S ATOM 1518 CE MET A 102 1.677 -5.320 4.746 1.00 0.00 C ATOM 0 H MET A 102 1.851 -1.803 9.966 1.00 0.00 H new ATOM 0 HA MET A 102 3.706 -3.548 8.464 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.620 -1.624 7.365 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.912 -2.319 6.406 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.967 -4.619 7.242 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.532 -3.698 7.645 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.437 -5.516 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.755 -5.206 4.855 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.337 -6.155 5.359 1.00 0.00 H new ATOM 1528 N LEU A 103 5.315 -1.659 8.108 1.00 0.00 N ATOM 1529 CA LEU A 103 6.337 -0.618 8.128 1.00 0.00 C ATOM 1530 C LEU A 103 6.936 -0.417 6.739 1.00 0.00 C ATOM 1531 O LEU A 103 7.187 -1.381 6.015 1.00 0.00 O ATOM 1532 CB LEU A 103 7.440 -0.979 9.124 1.00 0.00 C ATOM 1533 CG LEU A 103 8.546 0.062 9.306 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.120 -0.010 10.713 1.00 0.00 C ATOM 1535 CD2 LEU A 103 9.643 -0.139 8.270 1.00 0.00 C ATOM 0 H LEU A 103 5.616 -2.537 7.685 1.00 0.00 H new ATOM 0 HA LEU A 103 5.866 0.314 8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.979 -1.164 10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.898 -1.915 8.805 1.00 0.00 H new ATOM 0 HG LEU A 103 8.114 1.052 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.905 0.738 10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.330 0.183 11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.537 -1.002 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.421 0.610 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.072 -1.135 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.222 -0.037 7.270 1.00 0.00 H new ATOM 1547 N ILE A 104 7.165 0.840 6.376 1.00 0.00 N ATOM 1548 CA ILE A 104 7.738 1.167 5.076 1.00 0.00 C ATOM 1549 C ILE A 104 8.958 2.068 5.224 1.00 0.00 C ATOM 1550 O ILE A 104 8.896 3.114 5.870 1.00 0.00 O ATOM 1551 CB ILE A 104 6.708 1.862 4.165 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.484 0.965 3.966 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.337 2.214 2.826 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.237 1.724 3.570 1.00 0.00 C ATOM 0 H ILE A 104 6.963 1.649 6.964 1.00 0.00 H new ATOM 0 HA ILE A 104 8.039 0.225 4.618 1.00 0.00 H new ATOM 0 HB ILE A 104 6.384 2.785 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.708 0.224 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.290 0.419 4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.597 2.704 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.180 2.886 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.686 1.304 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.410 1.025 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.989 2.446 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.413 2.248 2.631 1.00 0.00 H new ATOM 1566 N ARG A 105 10.068 1.657 4.620 1.00 0.00 N ATOM 1567 CA ARG A 105 11.304 2.427 4.684 1.00 0.00 C ATOM 1568 C ARG A 105 11.548 3.173 3.375 1.00 0.00 C ATOM 1569 O ARG A 105 11.742 2.559 2.325 1.00 0.00 O ATOM 1570 CB ARG A 105 12.488 1.508 4.988 1.00 0.00 C ATOM 1571 CG ARG A 105 13.838 2.198 4.880 1.00 0.00 C ATOM 1572 CD ARG A 105 14.861 1.570 5.815 1.00 0.00 C ATOM 1573 NE ARG A 105 15.466 0.372 5.239 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.650 -0.103 5.608 1.00 0.00 C ATOM 1575 NH1 ARG A 105 17.352 0.515 6.548 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.134 -1.199 5.038 1.00 0.00 N ATOM 0 H ARG A 105 10.137 0.794 4.080 1.00 0.00 H new ATOM 0 HA ARG A 105 11.206 3.158 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.375 1.105 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.466 0.662 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.197 2.138 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.727 3.256 5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 105 15.641 2.297 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.380 1.315 6.760 1.00 0.00 H new ATOM 0 HE ARG A 105 14.951 -0.127 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.983 1.357 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 105 18.261 0.148 6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 105 16.597 -1.678 4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.044 -1.563 5.322 1.00 0.00 H new ATOM 1590 N VAL A 106 11.537 4.500 3.445 1.00 0.00 N ATOM 1591 CA VAL A 106 11.757 5.330 2.267 1.00 0.00 C ATOM 1592 C VAL A 106 13.210 5.784 2.178 1.00 0.00 C ATOM 1593 O VAL A 106 14.021 5.482 3.054 1.00 0.00 O ATOM 1594 CB VAL A 106 10.843 6.570 2.274 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.382 6.157 2.182 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.092 7.407 3.520 1.00 0.00 C ATOM 0 H VAL A 106 11.378 5.024 4.306 1.00 0.00 H new ATOM 0 HA VAL A 106 11.517 4.716 1.399 1.00 0.00 H new ATOM 0 HB VAL A 106 11.079 7.179 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.751 7.046 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.218 5.602 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.128 5.526 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.438 8.279 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.885 6.809 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.132 7.733 3.537 1.00 0.00 H new ATOM 1606 N LYS A 107 13.533 6.512 1.115 1.00 0.00 N ATOM 1607 CA LYS A 107 14.888 7.010 0.911 1.00 0.00 C ATOM 1608 C LYS A 107 15.409 7.699 2.168 1.00 0.00 C ATOM 1609 O LYS A 107 16.402 7.270 2.758 1.00 0.00 O ATOM 1610 CB LYS A 107 14.923 7.985 -0.269 1.00 0.00 C ATOM 1611 CG LYS A 107 16.325 8.279 -0.773 1.00 0.00 C ATOM 1612 CD LYS A 107 16.311 9.307 -1.892 1.00 0.00 C ATOM 1613 CE LYS A 107 17.715 9.602 -2.396 1.00 0.00 C ATOM 1614 NZ LYS A 107 17.709 10.087 -3.804 1.00 0.00 N ATOM 0 H LYS A 107 12.874 6.771 0.381 1.00 0.00 H new ATOM 0 HA LYS A 107 15.532 6.159 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.331 7.574 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.449 8.920 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.939 8.644 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.785 7.358 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.697 8.942 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.850 10.228 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 107 18.181 10.351 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.323 8.700 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.685 10.277 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.288 9.362 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.150 10.962 -3.867 1.00 0.00 H new ATOM 1628 N THR A 108 14.733 8.769 2.575 1.00 0.00 N ATOM 1629 CA THR A 108 15.128 9.516 3.763 1.00 0.00 C ATOM 1630 C THR A 108 13.910 10.069 4.494 1.00 0.00 C ATOM 1631 O THR A 108 12.797 10.050 3.969 1.00 0.00 O ATOM 1632 CB THR A 108 16.071 10.681 3.406 1.00 0.00 C ATOM 1633 OG1 THR A 108 15.468 11.510 2.406 1.00 0.00 O ATOM 1634 CG2 THR A 108 17.407 10.160 2.901 1.00 0.00 C ATOM 0 H THR A 108 13.909 9.138 2.099 1.00 0.00 H new ATOM 0 HA THR A 108 15.654 8.819 4.415 1.00 0.00 H new ATOM 0 HB THR A 108 16.245 11.268 4.308 1.00 0.00 H new ATOM 0 HG1 THR A 108 16.073 12.249 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 108 18.056 11.001 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.877 9.553 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 108 17.247 9.552 2.010 1.00 0.00 H new ATOM 1642 N SER A 109 14.129 10.562 5.709 1.00 0.00 N ATOM 1643 CA SER A 109 13.048 11.117 6.515 1.00 0.00 C ATOM 1644 C SER A 109 12.199 12.082 5.693 1.00 0.00 C ATOM 1645 O SER A 109 10.999 12.222 5.926 1.00 0.00 O ATOM 1646 CB SER A 109 13.615 11.836 7.741 1.00 0.00 C ATOM 1647 OG SER A 109 12.695 11.809 8.819 1.00 0.00 O ATOM 0 H SER A 109 15.045 10.588 6.157 1.00 0.00 H new ATOM 0 HA SER A 109 12.415 10.294 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.549 11.363 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.849 12.869 7.485 1.00 0.00 H new ATOM 0 HG SER A 109 12.662 10.906 9.198 1.00 0.00 H new ATOM 1653 N GLU A 110 12.832 12.746 4.731 1.00 0.00 N ATOM 1654 CA GLU A 110 12.136 13.699 3.875 1.00 0.00 C ATOM 1655 C GLU A 110 11.099 12.993 3.005 1.00 0.00 C ATOM 1656 O GLU A 110 9.992 13.493 2.811 1.00 0.00 O ATOM 1657 CB GLU A 110 13.134 14.449 2.990 1.00 0.00 C ATOM 1658 CG GLU A 110 12.569 14.848 1.638 1.00 0.00 C ATOM 1659 CD GLU A 110 11.524 15.943 1.742 1.00 0.00 C ATOM 1660 OE1 GLU A 110 11.911 17.127 1.820 1.00 0.00 O ATOM 1661 OE2 GLU A 110 10.320 15.614 1.746 1.00 0.00 O ATOM 0 H GLU A 110 13.826 12.641 4.525 1.00 0.00 H new ATOM 0 HA GLU A 110 11.621 14.415 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 110 13.469 15.345 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.013 13.823 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.381 15.186 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.127 13.973 1.161 1.00 0.00 H new ATOM 1668 N ASP A 111 11.468 11.827 2.485 1.00 0.00 N ATOM 1669 CA ASP A 111 10.572 11.051 1.637 1.00 0.00 C ATOM 1670 C ASP A 111 9.369 10.550 2.431 1.00 0.00 C ATOM 1671 O ASP A 111 8.253 10.494 1.917 1.00 0.00 O ATOM 1672 CB ASP A 111 11.318 9.868 1.017 1.00 0.00 C ATOM 1673 CG ASP A 111 12.200 10.284 -0.143 1.00 0.00 C ATOM 1674 OD1 ASP A 111 12.559 11.478 -0.217 1.00 0.00 O ATOM 1675 OD2 ASP A 111 12.532 9.416 -0.978 1.00 0.00 O ATOM 0 H ASP A 111 12.381 11.399 2.636 1.00 0.00 H new ATOM 0 HA ASP A 111 10.213 11.702 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.930 9.387 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.596 9.127 0.673 1.00 0.00 H new ATOM 1680 N ALA A 112 9.607 10.186 3.687 1.00 0.00 N ATOM 1681 CA ALA A 112 8.544 9.691 4.553 1.00 0.00 C ATOM 1682 C ALA A 112 7.385 10.680 4.620 1.00 0.00 C ATOM 1683 O ALA A 112 6.281 10.389 4.161 1.00 0.00 O ATOM 1684 CB ALA A 112 9.085 9.413 5.947 1.00 0.00 C ATOM 0 H ALA A 112 10.526 10.225 4.127 1.00 0.00 H new ATOM 0 HA ALA A 112 8.168 8.760 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.280 9.044 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.874 8.663 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.489 10.332 6.370 1.00 0.00 H new ATOM 1690 N ASP A 113 7.644 11.849 5.196 1.00 0.00 N ATOM 1691 CA ASP A 113 6.622 12.882 5.323 1.00 0.00 C ATOM 1692 C ASP A 113 5.757 12.947 4.069 1.00 0.00 C ATOM 1693 O ASP A 113 4.546 12.733 4.127 1.00 0.00 O ATOM 1694 CB ASP A 113 7.271 14.242 5.582 1.00 0.00 C ATOM 1695 CG ASP A 113 6.260 15.372 5.601 1.00 0.00 C ATOM 1696 OD1 ASP A 113 5.664 15.616 6.670 1.00 0.00 O ATOM 1697 OD2 ASP A 113 6.064 16.011 4.545 1.00 0.00 O ATOM 0 H ASP A 113 8.553 12.105 5.582 1.00 0.00 H new ATOM 0 HA ASP A 113 5.984 12.626 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.798 14.214 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.016 14.438 4.811 1.00 0.00 H new ATOM 1702 N GLU A 114 6.386 13.245 2.936 1.00 0.00 N ATOM 1703 CA GLU A 114 5.672 13.341 1.669 1.00 0.00 C ATOM 1704 C GLU A 114 4.697 12.179 1.505 1.00 0.00 C ATOM 1705 O GLU A 114 3.501 12.383 1.287 1.00 0.00 O ATOM 1706 CB GLU A 114 6.661 13.360 0.501 1.00 0.00 C ATOM 1707 CG GLU A 114 6.005 13.602 -0.848 1.00 0.00 C ATOM 1708 CD GLU A 114 5.580 15.045 -1.039 1.00 0.00 C ATOM 1709 OE1 GLU A 114 6.451 15.886 -1.344 1.00 0.00 O ATOM 1710 OE2 GLU A 114 4.374 15.333 -0.883 1.00 0.00 O ATOM 0 H GLU A 114 7.388 13.424 2.870 1.00 0.00 H new ATOM 0 HA GLU A 114 5.105 14.272 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.405 14.137 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.194 12.409 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.699 13.324 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.134 12.954 -0.946 1.00 0.00 H new ATOM 1717 N LEU A 115 5.215 10.960 1.609 1.00 0.00 N ATOM 1718 CA LEU A 115 4.391 9.764 1.472 1.00 0.00 C ATOM 1719 C LEU A 115 3.234 9.783 2.467 1.00 0.00 C ATOM 1720 O LEU A 115 2.066 9.741 2.078 1.00 0.00 O ATOM 1721 CB LEU A 115 5.239 8.509 1.684 1.00 0.00 C ATOM 1722 CG LEU A 115 4.471 7.221 1.979 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.693 6.771 0.752 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.422 6.126 2.441 1.00 0.00 C ATOM 0 H LEU A 115 6.202 10.774 1.788 1.00 0.00 H new ATOM 0 HA LEU A 115 3.979 9.751 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.846 8.350 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.927 8.695 2.509 1.00 0.00 H new ATOM 0 HG LEU A 115 3.761 7.420 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.152 5.853 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.984 7.548 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.384 6.590 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.857 5.217 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.156 5.929 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.934 6.448 3.348 1.00 0.00 H new ATOM 1736 N HIS A 116 3.566 9.849 3.752 1.00 0.00 N ATOM 1737 CA HIS A 116 2.555 9.876 4.803 1.00 0.00 C ATOM 1738 C HIS A 116 1.463 10.892 4.479 1.00 0.00 C ATOM 1739 O HIS A 116 0.304 10.531 4.278 1.00 0.00 O ATOM 1740 CB HIS A 116 3.197 10.211 6.149 1.00 0.00 C ATOM 1741 CG HIS A 116 2.252 10.103 7.307 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.653 11.198 7.894 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.802 9.022 7.984 1.00 0.00 C ATOM 1744 CE1 HIS A 116 0.878 10.794 8.884 1.00 0.00 C ATOM 1745 NE2 HIS A 116 0.950 9.478 8.960 1.00 0.00 N ATOM 0 H HIS A 116 4.527 9.885 4.091 1.00 0.00 H new ATOM 0 HA HIS A 116 2.101 8.887 4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.041 9.542 6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.596 11.225 6.110 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.788 12.168 7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.064 7.992 7.793 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.286 11.432 9.523 1.00 0.00 H new ATOM 1753 N LYS A 117 1.842 12.165 4.432 1.00 0.00 N ATOM 1754 CA LYS A 117 0.897 13.234 4.133 1.00 0.00 C ATOM 1755 C LYS A 117 -0.101 12.796 3.065 1.00 0.00 C ATOM 1756 O LYS A 117 -1.292 12.650 3.338 1.00 0.00 O ATOM 1757 CB LYS A 117 1.642 14.486 3.666 1.00 0.00 C ATOM 1758 CG LYS A 117 2.242 15.296 4.802 1.00 0.00 C ATOM 1759 CD LYS A 117 2.745 16.646 4.320 1.00 0.00 C ATOM 1760 CE LYS A 117 1.610 17.652 4.198 1.00 0.00 C ATOM 1761 NZ LYS A 117 1.933 18.737 3.230 1.00 0.00 N ATOM 0 H LYS A 117 2.798 12.481 4.597 1.00 0.00 H new ATOM 0 HA LYS A 117 0.348 13.464 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.437 14.191 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.955 15.118 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.493 15.443 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.065 14.740 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.496 17.025 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.235 16.529 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.703 17.139 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.403 18.087 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.135 19.402 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.784 19.243 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.105 18.325 2.291 1.00 0.00 H new ATOM 1775 N ILE A 118 0.395 12.586 1.850 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.453 12.162 0.742 1.00 0.00 C ATOM 1777 C ILE A 118 -1.528 11.188 1.214 1.00 0.00 C ATOM 1778 O ILE A 118 -2.720 11.495 1.174 1.00 0.00 O ATOM 1779 CB ILE A 118 0.372 11.497 -0.375 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.413 12.475 -0.922 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.542 11.010 -1.490 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.488 11.811 -1.754 1.00 0.00 C ATOM 0 H ILE A 118 1.379 12.702 1.608 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.928 13.060 0.346 1.00 0.00 H new ATOM 0 HB ILE A 118 0.894 10.636 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.909 13.228 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.881 12.998 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.056 10.542 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.249 10.283 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.089 11.855 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.191 12.565 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.018 11.078 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.031 11.311 -2.608 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.098 10.014 1.663 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.023 8.995 2.146 1.00 0.00 C ATOM 1796 C LEU A 119 -3.090 9.609 3.046 1.00 0.00 C ATOM 1797 O LEU A 119 -4.276 9.301 2.922 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.263 7.907 2.907 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.449 6.934 2.052 1.00 0.00 C ATOM 1800 CD1 LEU A 119 -1.263 5.688 1.741 1.00 0.00 C ATOM 1801 CD2 LEU A 119 0.010 7.608 0.767 1.00 0.00 C ATOM 0 H LEU A 119 -0.115 9.744 1.703 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.516 8.549 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.589 8.390 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.981 7.332 3.492 1.00 0.00 H new ATOM 0 HG LEU A 119 0.434 6.635 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.668 5.007 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.541 5.193 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.164 5.969 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.587 6.901 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.860 7.937 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.631 8.470 1.010 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.661 10.482 3.951 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.580 11.143 4.871 1.00 0.00 C ATOM 1815 C LEU A 120 -4.547 12.050 4.118 1.00 0.00 C ATOM 1816 O LEU A 120 -5.763 11.874 4.192 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.800 11.958 5.905 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.343 11.199 7.151 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.537 10.829 8.018 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.559 9.955 6.761 1.00 0.00 C ATOM 0 H LEU A 120 -1.683 10.748 4.067 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.157 10.373 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.921 12.379 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.421 12.796 6.222 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.687 11.850 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.193 10.289 8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.057 11.736 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.218 10.196 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.242 9.428 7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.190 9.300 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.682 10.244 6.182 1.00 0.00 H new ATOM 1832 N GLU A 121 -3.999 13.019 3.391 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.814 13.952 2.622 1.00 0.00 C ATOM 1834 C GLU A 121 -5.949 13.223 1.909 1.00 0.00 C ATOM 1835 O GLU A 121 -7.118 13.585 2.045 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.951 14.697 1.602 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.340 15.979 2.142 1.00 0.00 C ATOM 1838 CD GLU A 121 -2.839 15.831 3.566 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -3.678 15.834 4.492 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -1.611 15.714 3.755 1.00 0.00 O ATOM 0 H GLU A 121 -2.994 13.178 3.319 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.247 14.673 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.151 14.037 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.559 14.934 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.513 16.282 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.083 16.776 2.103 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.596 12.193 1.147 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.583 11.411 0.411 1.00 0.00 C ATOM 1849 C LYS A 122 -7.473 10.623 1.366 1.00 0.00 C ATOM 1850 O LYS A 122 -8.689 10.554 1.184 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.885 10.455 -0.559 1.00 0.00 C ATOM 1852 CG LYS A 122 -5.139 11.161 -1.678 1.00 0.00 C ATOM 1853 CD LYS A 122 -6.096 11.759 -2.696 1.00 0.00 C ATOM 1854 CE LYS A 122 -5.360 12.233 -3.940 1.00 0.00 C ATOM 1855 NZ LYS A 122 -6.261 12.300 -5.125 1.00 0.00 N ATOM 0 H LYS A 122 -4.633 11.880 1.023 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.209 12.101 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.184 9.834 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.628 9.786 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.513 11.949 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.473 10.455 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.843 11.016 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.631 12.596 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.930 13.217 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.531 11.557 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.723 12.627 -5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.652 11.356 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.038 12.964 -4.933 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.861 10.030 2.385 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.598 9.248 3.371 1.00 0.00 C ATOM 1871 C LYS A 123 -8.872 9.972 3.797 1.00 0.00 C ATOM 1872 O LYS A 123 -9.946 9.374 3.856 1.00 0.00 O ATOM 1873 CB LYS A 123 -6.721 8.975 4.595 1.00 0.00 C ATOM 1874 CG LYS A 123 -7.408 8.141 5.662 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.746 8.316 7.019 1.00 0.00 C ATOM 1876 CE LYS A 123 -7.157 9.625 7.675 1.00 0.00 C ATOM 1877 NZ LYS A 123 -8.474 9.511 8.363 1.00 0.00 N ATOM 0 H LYS A 123 -5.855 10.076 2.550 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.876 8.299 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -5.814 8.463 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.414 9.926 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.458 8.427 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.382 7.089 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.016 7.482 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.663 8.291 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.396 9.925 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.208 10.409 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.719 10.424 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.205 9.249 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.418 8.780 9.101 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.744 11.261 4.092 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.886 12.066 4.510 1.00 0.00 C ATOM 1893 C ASP A 124 -11.140 11.674 3.735 1.00 0.00 C ATOM 1894 O ASP A 124 -12.142 11.267 4.322 1.00 0.00 O ATOM 1895 CB ASP A 124 -9.589 13.553 4.307 1.00 0.00 C ATOM 1896 CG ASP A 124 -10.749 14.436 4.723 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -11.376 14.142 5.763 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -11.029 15.422 4.010 1.00 0.00 O ATOM 0 H ASP A 124 -7.861 11.771 4.049 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.063 11.880 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.704 13.826 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.356 13.734 3.258 1.00 0.00 H new ATOM 1903 N ALA A 125 -11.077 11.802 2.413 1.00 0.00 N ATOM 1904 CA ALA A 125 -12.207 11.461 1.558 1.00 0.00 C ATOM 1905 C ALA A 125 -12.612 10.002 1.740 1.00 0.00 C ATOM 1906 O ALA A 125 -13.790 9.657 1.634 1.00 0.00 O ATOM 1907 CB ALA A 125 -11.869 11.739 0.101 1.00 0.00 C ATOM 0 H ALA A 125 -10.255 12.139 1.912 1.00 0.00 H new ATOM 0 HA ALA A 125 -13.052 12.085 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.722 11.480 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.636 12.796 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.007 11.140 -0.193 1.00 0.00 H new