USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 967 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 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.2!) USER MOD Set 2.1: A 66 MET CE :methyl 161:sc= -0.666 (180deg=-0.662) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= -1.88! USER MOD Set 2.3: A 82 LYS NZ :NH3+ -166:sc= -0.74 (180deg=-0.915) USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 ASN : amide:sc= -5.55! C(o=-5.5!,f=-4.3!) USER MOD Set 3.3: A 90 TYR OH : rot 30:sc= 0 USER MOD Set 3.4: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 136:sc= -2.8 USER MOD Single : A 15 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.13) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.1) USER MOD Single : A 23 SER OG : rot 67:sc= 0.95 USER MOD Single : A 24 GLN : amide:sc= 0.279 X(o=0.28,f=-0.015) USER MOD Single : A 25 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Single : A 32 TYR OH : rot 136:sc= -8.35! USER MOD Single : A 33 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 61 TYR OH : rot 70:sc= -2.88! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -5.52! C(o=-5.5!,f=-7.1!) USER MOD Single : A 93 SER OG : rot -130:sc= -2.1 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 72:sc= -1.8! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 120 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -13.8! C(o=-14!,f=-21!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 117.916 -0.429 -8.197 1.00 0.00 N ATOM 125 CA ARG A 8 118.246 -1.678 -7.519 1.00 0.00 C ATOM 126 C ARG A 8 118.444 -1.450 -6.025 1.00 0.00 C ATOM 127 O ARG A 8 117.521 -1.661 -5.234 1.00 0.00 O ATOM 128 CB ARG A 8 119.509 -2.293 -8.125 1.00 0.00 C ATOM 129 CG ARG A 8 119.226 -3.376 -9.151 1.00 0.00 C ATOM 130 CD ARG A 8 118.300 -4.445 -8.593 1.00 0.00 C ATOM 131 NE ARG A 8 118.300 -5.652 -9.414 1.00 0.00 N ATOM 132 CZ ARG A 8 117.760 -6.804 -9.028 1.00 0.00 C ATOM 133 NH1 ARG A 8 117.182 -6.903 -7.840 1.00 0.00 N ATOM 134 NH2 ARG A 8 117.800 -7.859 -9.832 1.00 0.00 N ATOM 0 HA ARG A 8 117.413 -2.368 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 8 120.098 -1.505 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 8 120.119 -2.713 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 8 118.775 -2.930 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.164 -3.834 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 8 118.607 -4.697 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.286 -4.049 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 8 118.738 -5.609 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 8 117.151 -6.094 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 8 116.768 -7.788 -7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 8 118.245 -7.786 -10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 8 117.386 -8.742 -9.535 1.00 0.00 H new ATOM 148 N ALA A 9 119.654 -1.019 -5.656 1.00 0.00 N ATOM 149 CA ALA A 9 120.011 -0.751 -4.261 1.00 0.00 C ATOM 150 C ALA A 9 118.777 -0.558 -3.387 1.00 0.00 C ATOM 151 O ALA A 9 118.417 -1.437 -2.602 1.00 0.00 O ATOM 152 CB ALA A 9 120.916 0.469 -4.179 1.00 0.00 C ATOM 0 H ALA A 9 120.412 -0.846 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 9 120.546 -1.621 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.176 0.660 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.825 0.287 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.397 1.336 -4.588 1.00 0.00 H new ATOM 158 N ARG A 10 118.128 0.593 -3.529 1.00 0.00 N ATOM 159 CA ARG A 10 116.935 0.894 -2.750 1.00 0.00 C ATOM 160 C ARG A 10 116.084 -0.357 -2.550 1.00 0.00 C ATOM 161 O ARG A 10 115.945 -0.855 -1.433 1.00 0.00 O ATOM 162 CB ARG A 10 116.110 1.981 -3.441 1.00 0.00 C ATOM 163 CG ARG A 10 115.440 2.943 -2.474 1.00 0.00 C ATOM 164 CD ARG A 10 114.439 3.839 -3.185 1.00 0.00 C ATOM 165 NE ARG A 10 115.057 5.062 -3.687 1.00 0.00 N ATOM 166 CZ ARG A 10 115.566 6.006 -2.900 1.00 0.00 C ATOM 167 NH1 ARG A 10 115.527 5.865 -1.583 1.00 0.00 N ATOM 168 NH2 ARG A 10 116.112 7.091 -3.432 1.00 0.00 N ATOM 0 H ARG A 10 118.408 1.331 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 10 117.253 1.255 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.758 2.546 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.346 1.508 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.933 2.379 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.197 3.557 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 10 113.990 3.293 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.632 4.096 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 10 115.101 5.201 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 10 115.106 5.032 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.918 6.590 -0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.142 7.202 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 10 116.502 7.814 -2.828 1.00 0.00 H new ATOM 182 N GLU A 11 115.520 -0.858 -3.642 1.00 0.00 N ATOM 183 CA GLU A 11 114.680 -2.049 -3.591 1.00 0.00 C ATOM 184 C GLU A 11 115.472 -3.260 -3.114 1.00 0.00 C ATOM 185 O GLU A 11 114.956 -4.103 -2.382 1.00 0.00 O ATOM 186 CB GLU A 11 114.081 -2.331 -4.970 1.00 0.00 C ATOM 187 CG GLU A 11 113.762 -1.075 -5.765 1.00 0.00 C ATOM 188 CD GLU A 11 114.888 -0.673 -6.696 1.00 0.00 C ATOM 189 OE1 GLU A 11 115.392 -1.548 -7.432 1.00 0.00 O ATOM 190 OE2 GLU A 11 115.265 0.518 -6.691 1.00 0.00 O ATOM 0 H GLU A 11 115.629 -0.458 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 11 113.876 -1.863 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.778 -2.945 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.169 -2.915 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.855 -1.238 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.555 -0.256 -5.076 1.00 0.00 H new ATOM 197 N CYS A 12 116.730 -3.341 -3.534 1.00 0.00 N ATOM 198 CA CYS A 12 117.590 -4.452 -3.151 1.00 0.00 C ATOM 199 C CYS A 12 117.731 -4.538 -1.637 1.00 0.00 C ATOM 200 O CYS A 12 117.884 -5.625 -1.078 1.00 0.00 O ATOM 201 CB CYS A 12 118.969 -4.301 -3.795 1.00 0.00 C ATOM 202 SG CYS A 12 119.951 -5.820 -3.802 1.00 0.00 S ATOM 0 H CYS A 12 117.175 -2.651 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 12 117.128 -5.373 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.843 -3.958 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.523 -3.526 -3.265 1.00 0.00 H new ATOM 0 HG CYS A 12 120.512 -5.969 -4.965 1.00 0.00 H new ATOM 208 N ALA A 13 117.678 -3.387 -0.976 1.00 0.00 N ATOM 209 CA ALA A 13 117.809 -3.337 0.473 1.00 0.00 C ATOM 210 C ALA A 13 116.698 -4.127 1.152 1.00 0.00 C ATOM 211 O ALA A 13 116.936 -4.828 2.135 1.00 0.00 O ATOM 212 CB ALA A 13 117.811 -1.891 0.947 1.00 0.00 C ATOM 0 H ALA A 13 117.545 -2.479 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 13 118.758 -3.798 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 13 117.909 -1.864 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.648 -1.361 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.877 -1.411 0.655 1.00 0.00 H new ATOM 218 N VAL A 14 115.488 -4.025 0.616 1.00 0.00 N ATOM 219 CA VAL A 14 114.352 -4.744 1.174 1.00 0.00 C ATOM 220 C VAL A 14 114.590 -6.249 1.138 1.00 0.00 C ATOM 221 O VAL A 14 114.175 -6.977 2.040 1.00 0.00 O ATOM 222 CB VAL A 14 113.052 -4.410 0.423 1.00 0.00 C ATOM 223 CG1 VAL A 14 112.936 -2.908 0.216 1.00 0.00 C ATOM 224 CG2 VAL A 14 112.985 -5.147 -0.907 1.00 0.00 C ATOM 0 H VAL A 14 115.270 -3.454 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 14 114.246 -4.424 2.211 1.00 0.00 H new ATOM 0 HB VAL A 14 112.210 -4.743 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.012 -2.684 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 14 112.927 -2.407 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.786 -2.554 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.056 -4.893 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.832 -4.855 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.019 -6.222 -0.729 1.00 0.00 H new ATOM 234 N GLN A 15 115.280 -6.706 0.101 1.00 0.00 N ATOM 235 CA GLN A 15 115.592 -8.118 -0.046 1.00 0.00 C ATOM 236 C GLN A 15 116.421 -8.574 1.138 1.00 0.00 C ATOM 237 O GLN A 15 116.205 -9.654 1.687 1.00 0.00 O ATOM 238 CB GLN A 15 116.350 -8.368 -1.350 1.00 0.00 C ATOM 239 CG GLN A 15 115.481 -8.932 -2.462 1.00 0.00 C ATOM 240 CD GLN A 15 116.172 -10.034 -3.241 1.00 0.00 C ATOM 241 OE1 GLN A 15 116.693 -10.987 -2.661 1.00 0.00 O ATOM 242 NE2 GLN A 15 116.180 -9.909 -4.562 1.00 0.00 N ATOM 0 H GLN A 15 115.634 -6.116 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 15 114.663 -8.687 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.794 -7.431 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 15 117.171 -9.059 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.556 -9.320 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.204 -8.129 -3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 15 115.736 -9.102 -5.001 1.00 0.00 H new ATOM 0 HE22 GLN A 15 116.630 -10.620 -5.139 1.00 0.00 H new ATOM 251 N ALA A 16 117.353 -7.724 1.547 1.00 0.00 N ATOM 252 CA ALA A 16 118.193 -8.021 2.687 1.00 0.00 C ATOM 253 C ALA A 16 117.363 -7.951 3.952 1.00 0.00 C ATOM 254 O ALA A 16 117.588 -8.703 4.900 1.00 0.00 O ATOM 255 CB ALA A 16 119.361 -7.059 2.752 1.00 0.00 C ATOM 0 H ALA A 16 117.542 -6.825 1.103 1.00 0.00 H new ATOM 0 HA ALA A 16 118.599 -9.027 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 16 119.981 -7.298 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.956 -7.147 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.988 -6.039 2.844 1.00 0.00 H new ATOM 261 N LEU A 17 116.366 -7.068 3.943 1.00 0.00 N ATOM 262 CA LEU A 17 115.480 -6.939 5.081 1.00 0.00 C ATOM 263 C LEU A 17 114.812 -8.280 5.297 1.00 0.00 C ATOM 264 O LEU A 17 114.523 -8.676 6.426 1.00 0.00 O ATOM 265 CB LEU A 17 114.434 -5.846 4.846 1.00 0.00 C ATOM 266 CG LEU A 17 114.896 -4.427 5.180 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.852 -3.409 4.745 1.00 0.00 C ATOM 268 CD2 LEU A 17 115.183 -4.296 6.668 1.00 0.00 C ATOM 0 H LEU A 17 116.159 -6.441 3.166 1.00 0.00 H new ATOM 0 HA LEU A 17 116.049 -6.649 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.128 -5.876 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.551 -6.075 5.443 1.00 0.00 H new ATOM 0 HG LEU A 17 115.818 -4.228 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.198 -2.405 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.695 -3.486 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.914 -3.606 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 17 115.511 -3.280 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 17 114.278 -4.516 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.967 -4.999 6.951 1.00 0.00 H new ATOM 280 N TYR A 18 114.612 -8.996 4.193 1.00 0.00 N ATOM 281 CA TYR A 18 114.024 -10.324 4.254 1.00 0.00 C ATOM 282 C TYR A 18 115.028 -11.288 4.879 1.00 0.00 C ATOM 283 O TYR A 18 114.678 -12.108 5.728 1.00 0.00 O ATOM 284 CB TYR A 18 113.628 -10.804 2.856 1.00 0.00 C ATOM 285 CG TYR A 18 113.134 -12.232 2.820 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.568 -12.820 3.943 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.233 -12.992 1.661 1.00 0.00 C ATOM 288 CE1 TYR A 18 112.116 -14.126 3.914 1.00 0.00 C ATOM 289 CE2 TYR A 18 112.782 -14.298 1.623 1.00 0.00 C ATOM 290 CZ TYR A 18 112.225 -14.860 2.751 1.00 0.00 C ATOM 291 OH TYR A 18 111.775 -16.160 2.718 1.00 0.00 O ATOM 0 H TYR A 18 114.848 -8.678 3.253 1.00 0.00 H new ATOM 0 HA TYR A 18 113.123 -10.288 4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.849 -10.150 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.487 -10.710 2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 18 112.479 -12.248 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.670 -12.555 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 18 111.680 -14.569 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 18 112.866 -14.875 0.714 1.00 0.00 H new ATOM 0 HH TYR A 18 111.924 -16.535 1.825 1.00 0.00 H new ATOM 301 N SER A 19 116.287 -11.161 4.459 1.00 0.00 N ATOM 302 CA SER A 19 117.365 -11.997 4.980 1.00 0.00 C ATOM 303 C SER A 19 117.664 -11.631 6.429 1.00 0.00 C ATOM 304 O SER A 19 118.020 -12.487 7.240 1.00 0.00 O ATOM 305 CB SER A 19 118.624 -11.836 4.128 1.00 0.00 C ATOM 306 OG SER A 19 118.382 -12.213 2.783 1.00 0.00 O ATOM 0 H SER A 19 116.585 -10.484 3.757 1.00 0.00 H new ATOM 0 HA SER A 19 117.046 -13.038 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.961 -10.800 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.427 -12.446 4.541 1.00 0.00 H new ATOM 0 HG SER A 19 119.202 -12.099 2.259 1.00 0.00 H new ATOM 312 N TRP A 20 117.517 -10.348 6.743 1.00 0.00 N ATOM 313 CA TRP A 20 117.767 -9.847 8.090 1.00 0.00 C ATOM 314 C TRP A 20 116.844 -10.525 9.095 1.00 0.00 C ATOM 315 O TRP A 20 117.284 -11.012 10.135 1.00 0.00 O ATOM 316 CB TRP A 20 117.525 -8.339 8.131 1.00 0.00 C ATOM 317 CG TRP A 20 118.070 -7.672 9.357 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.204 -8.006 10.041 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.500 -6.553 10.047 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.377 -7.159 11.111 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.342 -6.258 11.136 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.358 -5.771 9.847 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.079 -5.212 12.020 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.098 -4.735 10.724 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.955 -4.463 11.798 1.00 0.00 C ATOM 0 H TRP A 20 117.224 -9.632 6.078 1.00 0.00 H new ATOM 0 HA TRP A 20 118.802 -10.067 8.352 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.977 -7.884 7.250 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.453 -8.151 8.073 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.868 -8.817 9.780 1.00 0.00 H new ATOM 0 HE1 TRP A 20 120.149 -7.195 11.777 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.691 -5.973 9.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.738 -5.001 12.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.219 -4.125 10.579 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.724 -3.645 12.465 1.00 0.00 H new ATOM 336 N GLN A 21 115.559 -10.541 8.769 1.00 0.00 N ATOM 337 CA GLN A 21 114.551 -11.148 9.631 1.00 0.00 C ATOM 338 C GLN A 21 114.840 -12.628 9.869 1.00 0.00 C ATOM 339 O GLN A 21 114.843 -13.093 11.009 1.00 0.00 O ATOM 340 CB GLN A 21 113.163 -10.983 9.012 1.00 0.00 C ATOM 341 CG GLN A 21 112.030 -11.068 10.021 1.00 0.00 C ATOM 342 CD GLN A 21 111.834 -12.470 10.562 1.00 0.00 C ATOM 343 OE1 GLN A 21 112.330 -12.809 11.637 1.00 0.00 O ATOM 344 NE2 GLN A 21 111.106 -13.295 9.818 1.00 0.00 N ATOM 0 H GLN A 21 115.187 -10.138 7.909 1.00 0.00 H new ATOM 0 HA GLN A 21 114.583 -10.638 10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 21 113.114 -10.020 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.020 -11.752 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.234 -10.389 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 21 111.105 -10.731 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.714 -12.972 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.939 -14.251 10.131 1.00 0.00 H new ATOM 353 N LEU A 22 115.076 -13.364 8.788 1.00 0.00 N ATOM 354 CA LEU A 22 115.356 -14.794 8.884 1.00 0.00 C ATOM 355 C LEU A 22 116.783 -15.047 9.361 1.00 0.00 C ATOM 356 O LEU A 22 117.010 -15.833 10.281 1.00 0.00 O ATOM 357 CB LEU A 22 115.135 -15.468 7.529 1.00 0.00 C ATOM 358 CG LEU A 22 113.681 -15.820 7.210 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.599 -16.638 5.930 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.051 -16.576 8.370 1.00 0.00 C ATOM 0 H LEU A 22 115.079 -12.996 7.837 1.00 0.00 H new ATOM 0 HA LEU A 22 114.670 -15.221 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.513 -14.810 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.730 -16.381 7.493 1.00 0.00 H new ATOM 0 HG LEU A 22 113.126 -14.894 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.557 -16.879 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.013 -16.062 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.168 -17.560 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.017 -16.819 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.607 -17.496 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 113.077 -15.955 9.266 1.00 0.00 H new ATOM 372 N SER A 23 117.742 -14.378 8.731 1.00 0.00 N ATOM 373 CA SER A 23 119.147 -14.534 9.089 1.00 0.00 C ATOM 374 C SER A 23 119.432 -13.934 10.463 1.00 0.00 C ATOM 375 O SER A 23 120.147 -14.523 11.272 1.00 0.00 O ATOM 376 CB SER A 23 120.040 -13.874 8.038 1.00 0.00 C ATOM 377 OG SER A 23 119.637 -14.234 6.728 1.00 0.00 O ATOM 0 H SER A 23 117.572 -13.722 7.969 1.00 0.00 H new ATOM 0 HA SER A 23 119.368 -15.601 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.999 -12.791 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 121.076 -14.172 8.198 1.00 0.00 H new ATOM 0 HG SER A 23 118.757 -13.847 6.539 1.00 0.00 H new ATOM 383 N GLN A 24 118.868 -12.759 10.718 1.00 0.00 N ATOM 384 CA GLN A 24 119.064 -12.078 11.992 1.00 0.00 C ATOM 385 C GLN A 24 120.451 -11.448 12.061 1.00 0.00 C ATOM 386 O GLN A 24 120.930 -11.092 13.137 1.00 0.00 O ATOM 387 CB GLN A 24 118.878 -13.058 13.152 1.00 0.00 C ATOM 388 CG GLN A 24 117.650 -13.943 13.011 1.00 0.00 C ATOM 389 CD GLN A 24 116.565 -13.596 14.012 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.547 -14.111 15.130 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.652 -12.718 13.614 1.00 0.00 N ATOM 0 H GLN A 24 118.271 -12.258 10.059 1.00 0.00 H new ATOM 0 HA GLN A 24 118.319 -11.286 12.072 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.763 -13.689 13.229 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.805 -12.496 14.083 1.00 0.00 H new ATOM 0 HG2 GLN A 24 117.252 -13.848 12.001 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.941 -14.985 13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.705 -12.316 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.897 -12.446 14.244 1.00 0.00 H new ATOM 400 N ASN A 25 121.090 -11.315 10.904 1.00 0.00 N ATOM 401 CA ASN A 25 122.424 -10.729 10.828 1.00 0.00 C ATOM 402 C ASN A 25 122.381 -9.237 11.143 1.00 0.00 C ATOM 403 O ASN A 25 121.495 -8.767 11.856 1.00 0.00 O ATOM 404 CB ASN A 25 123.023 -10.953 9.439 1.00 0.00 C ATOM 405 CG ASN A 25 122.823 -12.373 8.946 1.00 0.00 C ATOM 406 OD1 ASN A 25 122.663 -13.301 9.739 1.00 0.00 O ATOM 407 ND2 ASN A 25 122.834 -12.549 7.630 1.00 0.00 N ATOM 0 H ASN A 25 120.706 -11.605 10.005 1.00 0.00 H new ATOM 0 HA ASN A 25 123.053 -11.220 11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.567 -10.259 8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 25 124.089 -10.727 9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 25 122.707 -13.483 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 25 122.970 -11.751 7.010 1.00 0.00 H new ATOM 414 N ASP A 26 123.348 -8.498 10.609 1.00 0.00 N ATOM 415 CA ASP A 26 123.425 -7.059 10.833 1.00 0.00 C ATOM 416 C ASP A 26 122.280 -6.335 10.130 1.00 0.00 C ATOM 417 O ASP A 26 121.372 -5.831 10.786 1.00 0.00 O ATOM 418 CB ASP A 26 124.766 -6.515 10.340 1.00 0.00 C ATOM 419 CG ASP A 26 125.709 -6.182 11.479 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.336 -7.115 12.022 1.00 0.00 O ATOM 421 OD2 ASP A 26 125.820 -4.987 11.828 1.00 0.00 O ATOM 0 H ASP A 26 124.090 -8.872 10.018 1.00 0.00 H new ATOM 0 HA ASP A 26 123.340 -6.880 11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.235 -7.251 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 26 124.594 -5.621 9.741 1.00 0.00 H new ATOM 426 N ILE A 27 122.351 -6.301 8.794 1.00 0.00 N ATOM 427 CA ILE A 27 121.348 -5.652 7.937 1.00 0.00 C ATOM 428 C ILE A 27 121.968 -4.517 7.142 1.00 0.00 C ATOM 429 O ILE A 27 121.687 -4.352 5.955 1.00 0.00 O ATOM 430 CB ILE A 27 120.141 -5.090 8.719 1.00 0.00 C ATOM 431 CG1 ILE A 27 118.971 -4.778 7.778 1.00 0.00 C ATOM 432 CG2 ILE A 27 120.538 -3.832 9.481 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.978 -5.578 6.492 1.00 0.00 C ATOM 0 H ILE A 27 123.115 -6.728 8.270 1.00 0.00 H new ATOM 0 HA ILE A 27 120.986 -6.438 7.274 1.00 0.00 H new ATOM 0 HB ILE A 27 119.821 -5.852 9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 27 118.036 -4.966 8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 27 118.990 -3.716 7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 119.675 -3.449 10.026 1.00 0.00 H new ATOM 0 HG22 ILE A 27 121.336 -4.069 10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 27 120.887 -3.076 8.778 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.118 -5.297 5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.895 -5.372 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.926 -6.642 6.725 1.00 0.00 H new ATOM 445 N ALA A 28 122.809 -3.732 7.799 1.00 0.00 N ATOM 446 CA ALA A 28 123.457 -2.615 7.140 1.00 0.00 C ATOM 447 C ALA A 28 124.447 -3.102 6.096 1.00 0.00 C ATOM 448 O ALA A 28 124.387 -2.697 4.945 1.00 0.00 O ATOM 449 CB ALA A 28 124.152 -1.727 8.160 1.00 0.00 C ATOM 0 H ALA A 28 123.056 -3.849 8.782 1.00 0.00 H new ATOM 0 HA ALA A 28 122.691 -2.028 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.633 -0.893 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.418 -1.343 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.904 -2.307 8.695 1.00 0.00 H new ATOM 455 N ASP A 29 125.361 -3.967 6.512 1.00 0.00 N ATOM 456 CA ASP A 29 126.373 -4.513 5.615 1.00 0.00 C ATOM 457 C ASP A 29 125.820 -5.588 4.670 1.00 0.00 C ATOM 458 O ASP A 29 126.282 -5.719 3.540 1.00 0.00 O ATOM 459 CB ASP A 29 127.531 -5.093 6.428 1.00 0.00 C ATOM 460 CG ASP A 29 128.821 -4.320 6.231 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.748 -3.105 5.951 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.903 -4.929 6.357 1.00 0.00 O ATOM 0 H ASP A 29 125.423 -4.308 7.471 1.00 0.00 H new ATOM 0 HA ASP A 29 126.721 -3.688 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.266 -5.089 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.687 -6.133 6.142 1.00 0.00 H new ATOM 467 N VAL A 30 124.880 -6.393 5.163 1.00 0.00 N ATOM 468 CA VAL A 30 124.326 -7.509 4.385 1.00 0.00 C ATOM 469 C VAL A 30 123.641 -7.107 3.075 1.00 0.00 C ATOM 470 O VAL A 30 123.949 -7.665 2.022 1.00 0.00 O ATOM 471 CB VAL A 30 123.317 -8.319 5.228 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.086 -7.486 5.546 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.916 -9.600 4.511 1.00 0.00 C ATOM 0 H VAL A 30 124.483 -6.296 6.098 1.00 0.00 H new ATOM 0 HA VAL A 30 125.197 -8.108 4.120 1.00 0.00 H new ATOM 0 HB VAL A 30 123.804 -8.587 6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.390 -8.078 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.381 -6.600 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.603 -7.182 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.205 -10.153 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.455 -9.353 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.801 -10.213 4.339 1.00 0.00 H new ATOM 483 N GLU A 31 122.700 -6.175 3.130 1.00 0.00 N ATOM 484 CA GLU A 31 121.960 -5.781 1.925 1.00 0.00 C ATOM 485 C GLU A 31 122.875 -5.412 0.760 1.00 0.00 C ATOM 486 O GLU A 31 122.730 -5.930 -0.348 1.00 0.00 O ATOM 487 CB GLU A 31 121.035 -4.594 2.244 1.00 0.00 C ATOM 488 CG GLU A 31 121.212 -3.390 1.325 1.00 0.00 C ATOM 489 CD GLU A 31 120.892 -3.695 -0.128 1.00 0.00 C ATOM 490 OE1 GLU A 31 120.319 -4.773 -0.395 1.00 0.00 O ATOM 491 OE2 GLU A 31 121.214 -2.858 -0.996 1.00 0.00 O ATOM 0 H GLU A 31 122.429 -5.680 3.980 1.00 0.00 H new ATOM 0 HA GLU A 31 121.376 -6.648 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 31 120.000 -4.930 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 121.211 -4.279 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.569 -2.580 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 31 122.240 -3.034 1.397 1.00 0.00 H new ATOM 498 N TYR A 32 123.785 -4.504 1.012 1.00 0.00 N ATOM 499 CA TYR A 32 124.713 -4.021 -0.004 1.00 0.00 C ATOM 500 C TYR A 32 125.776 -5.051 -0.361 1.00 0.00 C ATOM 501 O TYR A 32 126.318 -5.029 -1.467 1.00 0.00 O ATOM 502 CB TYR A 32 125.340 -2.707 0.452 1.00 0.00 C ATOM 503 CG TYR A 32 124.340 -1.818 1.156 1.00 0.00 C ATOM 504 CD1 TYR A 32 124.021 -2.045 2.481 1.00 0.00 C ATOM 505 CD2 TYR A 32 123.697 -0.781 0.495 1.00 0.00 C ATOM 506 CE1 TYR A 32 123.093 -1.272 3.141 1.00 0.00 C ATOM 507 CE2 TYR A 32 122.764 0.002 1.146 1.00 0.00 C ATOM 508 CZ TYR A 32 122.465 -0.248 2.467 1.00 0.00 C ATOM 509 OH TYR A 32 121.540 0.533 3.115 1.00 0.00 O ATOM 0 H TYR A 32 123.911 -4.072 1.927 1.00 0.00 H new ATOM 0 HA TYR A 32 124.145 -3.845 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 32 126.174 -2.916 1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 32 125.748 -2.181 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 124.511 -2.848 3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.929 -0.584 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.859 -1.466 4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 32 122.271 0.807 0.621 1.00 0.00 H new ATOM 0 HH TYR A 32 121.694 1.475 2.893 1.00 0.00 H new ATOM 519 N GLN A 33 126.084 -5.949 0.567 1.00 0.00 N ATOM 520 CA GLN A 33 127.096 -6.965 0.311 1.00 0.00 C ATOM 521 C GLN A 33 126.639 -7.891 -0.807 1.00 0.00 C ATOM 522 O GLN A 33 127.452 -8.413 -1.570 1.00 0.00 O ATOM 523 CB GLN A 33 127.404 -7.752 1.582 1.00 0.00 C ATOM 524 CG GLN A 33 126.468 -8.924 1.819 1.00 0.00 C ATOM 525 CD GLN A 33 127.076 -10.248 1.399 1.00 0.00 C ATOM 526 OE1 GLN A 33 128.221 -10.305 0.954 1.00 0.00 O ATOM 527 NE2 GLN A 33 126.308 -11.322 1.538 1.00 0.00 N ATOM 0 H GLN A 33 125.654 -5.995 1.491 1.00 0.00 H new ATOM 0 HA GLN A 33 128.014 -6.471 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.428 -8.122 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.351 -7.078 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.206 -8.967 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.542 -8.762 1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.364 -11.229 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.662 -12.240 1.271 1.00 0.00 H new ATOM 536 N PHE A 34 125.327 -8.071 -0.910 1.00 0.00 N ATOM 537 CA PHE A 34 124.748 -8.910 -1.949 1.00 0.00 C ATOM 538 C PHE A 34 124.990 -8.287 -3.320 1.00 0.00 C ATOM 539 O PHE A 34 125.188 -8.990 -4.310 1.00 0.00 O ATOM 540 CB PHE A 34 123.247 -9.089 -1.715 1.00 0.00 C ATOM 541 CG PHE A 34 122.597 -10.036 -2.683 1.00 0.00 C ATOM 542 CD1 PHE A 34 123.099 -11.315 -2.864 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.485 -9.647 -3.412 1.00 0.00 C ATOM 544 CE1 PHE A 34 122.504 -12.188 -3.754 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.885 -10.516 -4.304 1.00 0.00 C ATOM 546 CZ PHE A 34 121.395 -11.788 -4.475 1.00 0.00 C ATOM 0 H PHE A 34 124.644 -7.645 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 34 125.227 -9.888 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 34 123.087 -9.453 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.758 -8.117 -1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 34 123.965 -11.633 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 34 121.082 -8.653 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 34 122.905 -13.182 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 34 120.019 -10.201 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.928 -12.469 -5.171 1.00 0.00 H new ATOM 556 N LEU A 35 124.972 -6.958 -3.361 1.00 0.00 N ATOM 557 CA LEU A 35 125.188 -6.222 -4.603 1.00 0.00 C ATOM 558 C LEU A 35 126.539 -6.582 -5.214 1.00 0.00 C ATOM 559 O LEU A 35 126.646 -6.802 -6.421 1.00 0.00 O ATOM 560 CB LEU A 35 125.126 -4.711 -4.350 1.00 0.00 C ATOM 561 CG LEU A 35 123.957 -4.234 -3.484 1.00 0.00 C ATOM 562 CD1 LEU A 35 124.199 -2.811 -2.999 1.00 0.00 C ATOM 563 CD2 LEU A 35 122.652 -4.318 -4.261 1.00 0.00 C ATOM 0 H LEU A 35 124.810 -6.367 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 35 124.398 -6.500 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 35 126.057 -4.402 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 35 125.074 -4.201 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 35 123.883 -4.886 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.358 -2.488 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 35 125.114 -2.779 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 35 124.298 -2.146 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 35 121.831 -3.975 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 35 122.716 -3.688 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.473 -5.351 -4.561 1.00 0.00 H new ATOM 575 N ALA A 36 127.567 -6.639 -4.374 1.00 0.00 N ATOM 576 CA ALA A 36 128.911 -6.970 -4.831 1.00 0.00 C ATOM 577 C ALA A 36 128.958 -8.375 -5.425 1.00 0.00 C ATOM 578 O ALA A 36 129.689 -8.630 -6.382 1.00 0.00 O ATOM 579 CB ALA A 36 129.903 -6.846 -3.684 1.00 0.00 C ATOM 0 H ALA A 36 127.495 -6.460 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 36 129.187 -6.264 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.903 -7.096 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 36 129.897 -5.823 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 129.621 -7.530 -2.883 1.00 0.00 H new ATOM 707 N VAL A 45 127.306 0.627 -4.434 1.00 0.00 N ATOM 708 CA VAL A 45 127.134 1.892 -3.730 1.00 0.00 C ATOM 709 C VAL A 45 127.535 1.769 -2.266 1.00 0.00 C ATOM 710 O VAL A 45 126.715 1.432 -1.411 1.00 0.00 O ATOM 711 CB VAL A 45 125.686 2.393 -3.810 1.00 0.00 C ATOM 712 CG1 VAL A 45 125.456 3.158 -5.104 1.00 0.00 C ATOM 713 CG2 VAL A 45 124.710 1.232 -3.686 1.00 0.00 C ATOM 0 HA VAL A 45 127.786 2.613 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 45 125.510 3.074 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.424 3.505 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 45 126.129 4.015 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.651 2.503 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 123.688 1.608 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 124.883 0.523 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 124.858 0.733 -2.728 1.00 0.00 H new ATOM 723 N LEU A 46 128.800 2.053 -1.985 1.00 0.00 N ATOM 724 CA LEU A 46 129.316 1.983 -0.624 1.00 0.00 C ATOM 725 C LEU A 46 128.546 2.932 0.286 1.00 0.00 C ATOM 726 O LEU A 46 128.254 2.607 1.437 1.00 0.00 O ATOM 727 CB LEU A 46 130.806 2.328 -0.599 1.00 0.00 C ATOM 728 CG LEU A 46 131.127 3.822 -0.674 1.00 0.00 C ATOM 729 CD1 LEU A 46 131.176 4.427 0.721 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.443 4.047 -1.402 1.00 0.00 C ATOM 0 H LEU A 46 129.489 2.334 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 46 129.186 0.964 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.241 1.924 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.294 1.825 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 46 130.335 4.318 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 46 131.406 5.490 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 130.210 4.297 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 46 131.948 3.928 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.656 5.115 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 46 133.246 3.539 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.372 3.649 -2.414 1.00 0.00 H new ATOM 742 N TYR A 47 128.215 4.105 -0.244 1.00 0.00 N ATOM 743 CA TYR A 47 127.472 5.101 0.514 1.00 0.00 C ATOM 744 C TYR A 47 126.100 4.562 0.902 1.00 0.00 C ATOM 745 O TYR A 47 125.585 4.863 1.980 1.00 0.00 O ATOM 746 CB TYR A 47 127.318 6.385 -0.303 1.00 0.00 C ATOM 747 CG TYR A 47 128.634 7.006 -0.711 1.00 0.00 C ATOM 748 CD1 TYR A 47 129.431 7.665 0.217 1.00 0.00 C ATOM 749 CD2 TYR A 47 129.080 6.934 -2.025 1.00 0.00 C ATOM 750 CE1 TYR A 47 130.635 8.234 -0.152 1.00 0.00 C ATOM 751 CE2 TYR A 47 130.284 7.500 -2.402 1.00 0.00 C ATOM 752 CZ TYR A 47 131.056 8.149 -1.462 1.00 0.00 C ATOM 753 OH TYR A 47 132.255 8.714 -1.833 1.00 0.00 O ATOM 0 H TYR A 47 128.450 4.388 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 47 128.029 5.327 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 47 126.736 6.168 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.749 7.110 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 47 129.104 7.734 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 47 128.477 6.428 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 47 131.243 8.742 0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 47 130.618 7.434 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 47 132.405 8.565 -2.790 1.00 0.00 H new ATOM 763 N PHE A 48 125.517 3.756 0.018 1.00 0.00 N ATOM 764 CA PHE A 48 124.206 3.173 0.273 1.00 0.00 C ATOM 765 C PHE A 48 124.233 2.344 1.546 1.00 0.00 C ATOM 766 O PHE A 48 123.232 2.246 2.255 1.00 0.00 O ATOM 767 CB PHE A 48 123.755 2.304 -0.905 1.00 0.00 C ATOM 768 CG PHE A 48 122.377 2.640 -1.401 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.096 3.915 -1.861 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.360 1.690 -1.400 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.831 4.242 -2.310 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.095 2.014 -1.850 1.00 0.00 C ATOM 773 CZ PHE A 48 119.830 3.292 -2.303 1.00 0.00 C ATOM 0 H PHE A 48 125.931 3.494 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 48 123.493 3.989 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.466 2.418 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.780 1.257 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.875 4.663 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.562 0.690 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 48 120.626 5.241 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.313 1.269 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.840 3.547 -2.651 1.00 0.00 H new ATOM 783 N ARG A 49 125.379 1.743 1.835 1.00 0.00 N ATOM 784 CA ARG A 49 125.508 0.917 3.026 1.00 0.00 C ATOM 785 C ARG A 49 125.117 1.711 4.271 1.00 0.00 C ATOM 786 O ARG A 49 124.365 1.224 5.118 1.00 0.00 O ATOM 787 CB ARG A 49 126.933 0.367 3.159 1.00 0.00 C ATOM 788 CG ARG A 49 126.981 -1.097 3.584 1.00 0.00 C ATOM 789 CD ARG A 49 127.721 -1.962 2.569 1.00 0.00 C ATOM 790 NE ARG A 49 129.170 -1.828 2.692 1.00 0.00 N ATOM 791 CZ ARG A 49 130.019 -2.084 1.703 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.565 -2.484 0.523 1.00 0.00 N ATOM 793 NH2 ARG A 49 131.323 -1.939 1.892 1.00 0.00 N ATOM 0 H ARG A 49 126.224 1.811 1.268 1.00 0.00 H new ATOM 0 HA ARG A 49 124.828 0.070 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.447 0.477 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.479 0.967 3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.471 -1.177 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.965 -1.472 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 49 127.440 -3.006 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 49 127.415 -1.681 1.561 1.00 0.00 H new ATOM 0 HE ARG A 49 129.551 -1.521 3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.562 -2.596 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 49 130.219 -2.680 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.676 -1.630 2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.974 -2.136 1.132 1.00 0.00 H new ATOM 807 N GLU A 50 125.604 2.943 4.365 1.00 0.00 N ATOM 808 CA GLU A 50 125.287 3.808 5.498 1.00 0.00 C ATOM 809 C GLU A 50 123.786 4.076 5.575 1.00 0.00 C ATOM 810 O GLU A 50 123.234 4.297 6.654 1.00 0.00 O ATOM 811 CB GLU A 50 126.047 5.131 5.385 1.00 0.00 C ATOM 812 CG GLU A 50 127.006 5.382 6.538 1.00 0.00 C ATOM 813 CD GLU A 50 127.990 6.497 6.246 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.555 7.663 6.149 1.00 0.00 O ATOM 815 OE2 GLU A 50 129.198 6.203 6.115 1.00 0.00 O ATOM 0 H GLU A 50 126.220 3.366 3.671 1.00 0.00 H new ATOM 0 HA GLU A 50 125.594 3.297 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 50 126.606 5.140 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.329 5.950 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 50 126.435 5.631 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.555 4.466 6.755 1.00 0.00 H new ATOM 822 N LEU A 51 123.138 4.070 4.416 1.00 0.00 N ATOM 823 CA LEU A 51 121.704 4.328 4.320 1.00 0.00 C ATOM 824 C LEU A 51 120.886 3.351 5.165 1.00 0.00 C ATOM 825 O LEU A 51 119.899 3.738 5.792 1.00 0.00 O ATOM 826 CB LEU A 51 121.267 4.213 2.859 1.00 0.00 C ATOM 827 CG LEU A 51 120.565 5.437 2.277 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.456 5.304 0.766 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.189 5.612 2.902 1.00 0.00 C ATOM 0 H LEU A 51 123.588 3.887 3.519 1.00 0.00 H new ATOM 0 HA LEU A 51 121.522 5.333 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 51 122.147 4.000 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.600 3.356 2.765 1.00 0.00 H new ATOM 0 HG LEU A 51 121.156 6.323 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 51 119.954 6.182 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.454 5.224 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.882 4.411 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.704 6.490 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.583 4.729 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.293 5.743 3.979 1.00 0.00 H new ATOM 841 N LEU A 52 121.291 2.088 5.171 1.00 0.00 N ATOM 842 CA LEU A 52 120.580 1.059 5.926 1.00 0.00 C ATOM 843 C LEU A 52 120.584 1.354 7.420 1.00 0.00 C ATOM 844 O LEU A 52 119.646 0.996 8.133 1.00 0.00 O ATOM 845 CB LEU A 52 121.216 -0.303 5.679 1.00 0.00 C ATOM 846 CG LEU A 52 120.371 -1.314 4.893 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.620 -2.229 5.846 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.398 -0.621 3.948 1.00 0.00 C ATOM 0 H LEU A 52 122.108 1.749 4.662 1.00 0.00 H new ATOM 0 HA LEU A 52 119.546 1.054 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.153 -0.151 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.467 -0.744 6.644 1.00 0.00 H new ATOM 0 HG LEU A 52 121.051 -1.912 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.025 -2.941 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.333 -2.770 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.963 -1.634 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.818 -1.370 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.725 0.016 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.954 -0.012 3.236 1.00 0.00 H new ATOM 860 N ALA A 53 121.644 1.991 7.895 1.00 0.00 N ATOM 861 CA ALA A 53 121.760 2.306 9.309 1.00 0.00 C ATOM 862 C ALA A 53 120.568 3.124 9.783 1.00 0.00 C ATOM 863 O ALA A 53 120.095 2.952 10.907 1.00 0.00 O ATOM 864 CB ALA A 53 123.058 3.052 9.579 1.00 0.00 C ATOM 0 H ALA A 53 122.432 2.298 7.325 1.00 0.00 H new ATOM 0 HA ALA A 53 121.772 1.370 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.131 3.281 10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.903 2.431 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.071 3.979 9.006 1.00 0.00 H new ATOM 870 N GLY A 54 120.072 4.002 8.920 1.00 0.00 N ATOM 871 CA GLY A 54 118.934 4.820 9.286 1.00 0.00 C ATOM 872 C GLY A 54 117.732 3.983 9.662 1.00 0.00 C ATOM 873 O GLY A 54 117.047 4.273 10.642 1.00 0.00 O ATOM 0 H GLY A 54 120.435 4.161 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.204 5.463 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.674 5.474 8.453 1.00 0.00 H new ATOM 877 N VAL A 55 117.487 2.925 8.899 1.00 0.00 N ATOM 878 CA VAL A 55 116.372 2.034 9.176 1.00 0.00 C ATOM 879 C VAL A 55 116.626 1.271 10.465 1.00 0.00 C ATOM 880 O VAL A 55 115.702 0.968 11.220 1.00 0.00 O ATOM 881 CB VAL A 55 116.150 1.031 8.029 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.849 0.268 8.229 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.156 1.746 6.686 1.00 0.00 C ATOM 0 H VAL A 55 118.045 2.665 8.086 1.00 0.00 H new ATOM 0 HA VAL A 55 115.476 2.647 9.275 1.00 0.00 H new ATOM 0 HB VAL A 55 116.970 0.312 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.710 -0.436 7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.888 -0.277 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.015 0.970 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 115.998 1.021 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.358 2.489 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.116 2.241 6.542 1.00 0.00 H new ATOM 893 N ALA A 56 117.895 0.964 10.702 1.00 0.00 N ATOM 894 CA ALA A 56 118.304 0.235 11.889 1.00 0.00 C ATOM 895 C ALA A 56 118.196 1.103 13.137 1.00 0.00 C ATOM 896 O ALA A 56 118.129 0.594 14.256 1.00 0.00 O ATOM 897 CB ALA A 56 119.720 -0.280 11.706 1.00 0.00 C ATOM 0 H ALA A 56 118.663 1.213 10.079 1.00 0.00 H new ATOM 0 HA ALA A 56 117.633 -0.612 12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.026 -0.827 12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.757 -0.944 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.395 0.561 11.546 1.00 0.00 H new ATOM 903 N THR A 57 118.182 2.419 12.941 1.00 0.00 N ATOM 904 CA THR A 57 118.085 3.355 14.054 1.00 0.00 C ATOM 905 C THR A 57 116.847 4.236 13.922 1.00 0.00 C ATOM 906 O THR A 57 116.591 5.094 14.768 1.00 0.00 O ATOM 907 CB THR A 57 119.339 4.227 14.126 1.00 0.00 C ATOM 908 OG1 THR A 57 119.211 5.359 13.285 1.00 0.00 O ATOM 909 CG2 THR A 57 120.600 3.494 13.721 1.00 0.00 C ATOM 0 H THR A 57 118.237 2.859 12.023 1.00 0.00 H new ATOM 0 HA THR A 57 117.999 2.776 14.974 1.00 0.00 H new ATOM 0 HB THR A 57 119.428 4.521 15.172 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.022 5.905 13.346 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.453 4.169 13.794 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.754 2.642 14.383 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.503 3.143 12.694 1.00 0.00 H new ATOM 917 N ASN A 58 116.082 4.022 12.857 1.00 0.00 N ATOM 918 CA ASN A 58 114.874 4.798 12.616 1.00 0.00 C ATOM 919 C ASN A 58 113.748 3.908 12.104 1.00 0.00 C ATOM 920 O ASN A 58 112.871 4.362 11.370 1.00 0.00 O ATOM 921 CB ASN A 58 115.153 5.916 11.611 1.00 0.00 C ATOM 922 CG ASN A 58 116.496 6.582 11.844 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.834 6.946 12.970 1.00 0.00 O ATOM 924 ND2 ASN A 58 117.269 6.743 10.776 1.00 0.00 N ATOM 0 H ASN A 58 116.278 3.317 12.147 1.00 0.00 H new ATOM 0 HA ASN A 58 114.561 5.239 13.562 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.123 5.508 10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.363 6.665 11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 58 118.184 7.184 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.948 6.426 9.861 1.00 0.00 H new ATOM 931 N THR A 59 113.774 2.637 12.496 1.00 0.00 N ATOM 932 CA THR A 59 112.746 1.696 12.072 1.00 0.00 C ATOM 933 C THR A 59 111.372 2.175 12.523 1.00 0.00 C ATOM 934 O THR A 59 110.431 2.232 11.730 1.00 0.00 O ATOM 935 CB THR A 59 113.026 0.302 12.637 1.00 0.00 C ATOM 936 OG1 THR A 59 114.067 0.347 13.596 1.00 0.00 O ATOM 937 CG2 THR A 59 113.422 -0.705 11.578 1.00 0.00 C ATOM 0 H THR A 59 114.491 2.239 13.102 1.00 0.00 H new ATOM 0 HA THR A 59 112.761 1.640 10.984 1.00 0.00 H new ATOM 0 HB THR A 59 112.087 -0.019 13.089 1.00 0.00 H new ATOM 0 HG1 THR A 59 114.229 -0.554 13.946 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.606 -1.672 12.046 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.617 -0.802 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.328 -0.367 11.075 1.00 0.00 H new ATOM 945 N ALA A 60 111.269 2.536 13.798 1.00 0.00 N ATOM 946 CA ALA A 60 110.014 3.026 14.351 1.00 0.00 C ATOM 947 C ALA A 60 109.596 4.316 13.659 1.00 0.00 C ATOM 948 O ALA A 60 108.408 4.614 13.535 1.00 0.00 O ATOM 949 CB ALA A 60 110.145 3.245 15.851 1.00 0.00 C ATOM 0 H ALA A 60 112.039 2.498 14.466 1.00 0.00 H new ATOM 0 HA ALA A 60 109.243 2.276 14.177 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.199 3.611 16.249 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.402 2.303 16.335 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.928 3.978 16.045 1.00 0.00 H new ATOM 955 N TYR A 61 110.587 5.066 13.189 1.00 0.00 N ATOM 956 CA TYR A 61 110.334 6.316 12.488 1.00 0.00 C ATOM 957 C TYR A 61 109.560 6.024 11.219 1.00 0.00 C ATOM 958 O TYR A 61 108.612 6.728 10.872 1.00 0.00 O ATOM 959 CB TYR A 61 111.649 7.028 12.165 1.00 0.00 C ATOM 960 CG TYR A 61 111.596 7.865 10.906 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.545 8.744 10.677 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.598 7.776 9.949 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.496 9.512 9.529 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.556 8.540 8.799 1.00 0.00 C ATOM 965 CZ TYR A 61 111.503 9.406 8.593 1.00 0.00 C ATOM 966 OH TYR A 61 111.459 10.169 7.449 1.00 0.00 O ATOM 0 H TYR A 61 111.574 4.828 13.282 1.00 0.00 H new ATOM 0 HA TYR A 61 109.746 6.976 13.126 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.921 7.668 13.005 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.439 6.284 12.063 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.754 8.829 11.407 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.424 7.098 10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.673 10.192 9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.344 8.459 8.065 1.00 0.00 H new ATOM 0 HH TYR A 61 111.617 11.109 7.677 1.00 0.00 H new ATOM 976 N LEU A 62 109.950 4.944 10.551 1.00 0.00 N ATOM 977 CA LEU A 62 109.271 4.516 9.344 1.00 0.00 C ATOM 978 C LEU A 62 107.885 4.025 9.724 1.00 0.00 C ATOM 979 O LEU A 62 106.929 4.139 8.956 1.00 0.00 O ATOM 980 CB LEU A 62 110.057 3.403 8.645 1.00 0.00 C ATOM 981 CG LEU A 62 111.376 3.839 8.001 1.00 0.00 C ATOM 982 CD1 LEU A 62 111.964 2.706 7.174 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.166 5.076 7.139 1.00 0.00 C ATOM 0 H LEU A 62 110.733 4.352 10.829 1.00 0.00 H new ATOM 0 HA LEU A 62 109.194 5.353 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.268 2.618 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.424 2.962 7.875 1.00 0.00 H new ATOM 0 HG LEU A 62 112.081 4.089 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 62 112.901 3.033 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.151 1.846 7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.262 2.426 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.114 5.371 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.445 4.853 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 110.788 5.890 7.757 1.00 0.00 H new ATOM 995 N ASP A 63 107.786 3.490 10.938 1.00 0.00 N ATOM 996 CA ASP A 63 106.518 2.989 11.449 1.00 0.00 C ATOM 997 C ASP A 63 105.497 4.116 11.523 1.00 0.00 C ATOM 998 O ASP A 63 104.289 3.883 11.477 1.00 0.00 O ATOM 999 CB ASP A 63 106.708 2.363 12.832 1.00 0.00 C ATOM 1000 CG ASP A 63 105.726 2.904 13.852 1.00 0.00 C ATOM 1001 OD1 ASP A 63 106.018 3.958 14.456 1.00 0.00 O ATOM 1002 OD2 ASP A 63 104.665 2.275 14.047 1.00 0.00 O ATOM 0 H ASP A 63 108.569 3.393 11.584 1.00 0.00 H new ATOM 0 HA ASP A 63 106.150 2.223 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 63 106.591 1.282 12.757 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.725 2.551 13.176 1.00 0.00 H new ATOM 1007 N GLY A 64 105.998 5.342 11.640 1.00 0.00 N ATOM 1008 CA GLY A 64 105.127 6.497 11.722 1.00 0.00 C ATOM 1009 C GLY A 64 104.270 6.675 10.485 1.00 0.00 C ATOM 1010 O GLY A 64 103.090 7.011 10.589 1.00 0.00 O ATOM 0 H GLY A 64 106.995 5.555 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.481 6.398 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.731 7.392 11.872 1.00 0.00 H new ATOM 1014 N LEU A 65 104.855 6.452 9.310 1.00 0.00 N ATOM 1015 CA LEU A 65 104.110 6.596 8.063 1.00 0.00 C ATOM 1016 C LEU A 65 103.647 5.237 7.542 1.00 0.00 C ATOM 1017 O LEU A 65 102.789 5.161 6.663 1.00 0.00 O ATOM 1018 CB LEU A 65 104.946 7.338 7.011 1.00 0.00 C ATOM 1019 CG LEU A 65 106.102 6.552 6.392 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.380 7.052 4.979 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.347 6.679 7.258 1.00 0.00 C ATOM 0 H LEU A 65 105.830 6.174 9.196 1.00 0.00 H new ATOM 0 HA LEU A 65 103.221 7.193 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.281 7.659 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.351 8.240 7.469 1.00 0.00 H new ATOM 0 HG LEU A 65 105.824 5.499 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.205 6.485 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.489 6.920 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.645 8.109 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 65 108.163 6.115 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.631 7.729 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 107.140 6.285 8.253 1.00 0.00 H new ATOM 1033 N MET A 66 104.203 4.168 8.106 1.00 0.00 N ATOM 1034 CA MET A 66 103.826 2.814 7.712 1.00 0.00 C ATOM 1035 C MET A 66 102.614 2.347 8.512 1.00 0.00 C ATOM 1036 O MET A 66 101.694 1.733 7.971 1.00 0.00 O ATOM 1037 CB MET A 66 104.992 1.845 7.922 1.00 0.00 C ATOM 1038 CG MET A 66 104.589 0.538 8.586 1.00 0.00 C ATOM 1039 SD MET A 66 103.390 -0.394 7.616 1.00 0.00 S ATOM 1040 CE MET A 66 104.469 -1.511 6.726 1.00 0.00 C ATOM 0 H MET A 66 104.914 4.213 8.836 1.00 0.00 H new ATOM 0 HA MET A 66 103.569 2.827 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.449 1.626 6.957 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.753 2.333 8.532 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.477 -0.074 8.743 1.00 0.00 H new ATOM 0 HG3 MET A 66 104.169 0.749 9.569 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.890 -2.356 6.353 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.925 -0.985 5.887 1.00 0.00 H new ATOM 0 HE3 MET A 66 105.250 -1.873 7.395 1.00 0.00 H new ATOM 1050 N LYS A 67 102.626 2.651 9.806 1.00 0.00 N ATOM 1051 CA LYS A 67 101.537 2.275 10.700 1.00 0.00 C ATOM 1052 C LYS A 67 100.176 2.416 10.021 1.00 0.00 C ATOM 1053 O LYS A 67 99.398 1.463 9.970 1.00 0.00 O ATOM 1054 CB LYS A 67 101.576 3.133 11.966 1.00 0.00 C ATOM 1055 CG LYS A 67 100.199 3.481 12.508 1.00 0.00 C ATOM 1056 CD LYS A 67 100.292 4.410 13.707 1.00 0.00 C ATOM 1057 CE LYS A 67 99.111 4.227 14.647 1.00 0.00 C ATOM 1058 NZ LYS A 67 98.001 5.169 14.335 1.00 0.00 N ATOM 0 H LYS A 67 103.384 3.160 10.261 1.00 0.00 H new ATOM 0 HA LYS A 67 101.674 1.227 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.137 2.604 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 67 102.117 4.055 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.607 3.954 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.677 2.567 12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 67 101.220 4.219 14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 67 100.329 5.444 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.747 3.202 14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 67 99.439 4.380 15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 97.216 5.012 14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.340 6.148 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 97.671 5.006 13.362 1.00 0.00 H new ATOM 1072 N PRO A 68 99.864 3.614 9.498 1.00 0.00 N ATOM 1073 CA PRO A 68 98.601 3.890 8.834 1.00 0.00 C ATOM 1074 C PRO A 68 97.990 2.662 8.163 1.00 0.00 C ATOM 1075 O PRO A 68 96.769 2.516 8.121 1.00 0.00 O ATOM 1076 CB PRO A 68 99.001 4.934 7.796 1.00 0.00 C ATOM 1077 CG PRO A 68 100.174 5.657 8.386 1.00 0.00 C ATOM 1078 CD PRO A 68 100.716 4.811 9.517 1.00 0.00 C ATOM 0 HA PRO A 68 97.831 4.216 9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 68 99.266 4.464 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.179 5.620 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.942 5.821 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.873 6.638 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.765 4.558 9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.653 5.332 10.472 1.00 0.00 H new ATOM 1086 N TYR A 69 98.836 1.783 7.634 1.00 0.00 N ATOM 1087 CA TYR A 69 98.354 0.578 6.966 1.00 0.00 C ATOM 1088 C TYR A 69 98.913 -0.685 7.615 1.00 0.00 C ATOM 1089 O TYR A 69 99.714 -1.400 7.013 1.00 0.00 O ATOM 1090 CB TYR A 69 98.721 0.606 5.485 1.00 0.00 C ATOM 1091 CG TYR A 69 100.186 0.859 5.239 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.685 2.152 5.194 1.00 0.00 C ATOM 1093 CD2 TYR A 69 101.070 -0.195 5.057 1.00 0.00 C ATOM 1094 CE1 TYR A 69 102.026 2.389 4.973 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.413 0.034 4.837 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.887 1.327 4.795 1.00 0.00 C ATOM 1097 OH TYR A 69 104.226 1.560 4.574 1.00 0.00 O ATOM 0 H TYR A 69 99.851 1.881 7.654 1.00 0.00 H new ATOM 0 HA TYR A 69 97.269 0.559 7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.442 -0.345 5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.137 1.380 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 69 100.014 2.986 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.702 -1.210 5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.400 3.402 4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 69 103.089 -0.797 4.698 1.00 0.00 H new ATOM 0 HH TYR A 69 104.694 0.705 4.470 1.00 0.00 H new ATOM 1107 N LEU A 70 98.479 -0.960 8.842 1.00 0.00 N ATOM 1108 CA LEU A 70 98.931 -2.146 9.564 1.00 0.00 C ATOM 1109 C LEU A 70 97.816 -3.182 9.642 1.00 0.00 C ATOM 1110 O LEU A 70 97.009 -3.169 10.572 1.00 0.00 O ATOM 1111 CB LEU A 70 99.388 -1.779 10.978 1.00 0.00 C ATOM 1112 CG LEU A 70 100.577 -0.820 11.058 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.589 -1.312 12.083 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.236 -0.659 9.696 1.00 0.00 C ATOM 0 H LEU A 70 97.817 -0.379 9.356 1.00 0.00 H new ATOM 0 HA LEU A 70 99.774 -2.569 9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.547 -1.332 11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.647 -2.696 11.507 1.00 0.00 H new ATOM 0 HG LEU A 70 100.207 0.155 11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.429 -0.618 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.115 -1.371 13.063 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.949 -2.299 11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.079 0.027 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.591 -1.629 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.511 -0.260 8.986 1.00 0.00 H new ATOM 1126 N SER A 71 97.775 -4.079 8.662 1.00 0.00 N ATOM 1127 CA SER A 71 96.756 -5.122 8.624 1.00 0.00 C ATOM 1128 C SER A 71 96.426 -5.610 10.031 1.00 0.00 C ATOM 1129 O SER A 71 95.258 -5.748 10.393 1.00 0.00 O ATOM 1130 CB SER A 71 97.227 -6.294 7.763 1.00 0.00 C ATOM 1131 OG SER A 71 96.158 -6.834 7.006 1.00 0.00 O ATOM 0 H SER A 71 98.435 -4.105 7.884 1.00 0.00 H new ATOM 0 HA SER A 71 95.853 -4.698 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 71 98.019 -5.961 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 71 97.653 -7.069 8.400 1.00 0.00 H new ATOM 0 HG SER A 71 96.486 -7.581 6.463 1.00 0.00 H new ATOM 1137 N ARG A 72 97.465 -5.865 10.820 1.00 0.00 N ATOM 1138 CA ARG A 72 97.290 -6.335 12.190 1.00 0.00 C ATOM 1139 C ARG A 72 98.627 -6.756 12.794 1.00 0.00 C ATOM 1140 O ARG A 72 98.918 -6.451 13.951 1.00 0.00 O ATOM 1141 CB ARG A 72 96.296 -7.499 12.238 1.00 0.00 C ATOM 1142 CG ARG A 72 96.225 -8.308 10.952 1.00 0.00 C ATOM 1143 CD ARG A 72 94.829 -8.277 10.349 1.00 0.00 C ATOM 1144 NE ARG A 72 94.158 -9.570 10.457 1.00 0.00 N ATOM 1145 CZ ARG A 72 92.863 -9.748 10.219 1.00 0.00 C ATOM 1146 NH1 ARG A 72 92.106 -8.721 9.860 1.00 0.00 N ATOM 1147 NH2 ARG A 72 92.325 -10.953 10.338 1.00 0.00 N ATOM 0 H ARG A 72 98.438 -5.754 10.534 1.00 0.00 H new ATOM 0 HA ARG A 72 96.890 -5.511 12.781 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.570 -8.163 13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.304 -7.107 12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 72 96.942 -7.913 10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 72 96.512 -9.340 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 72 94.233 -7.516 10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 72 94.893 -7.988 9.300 1.00 0.00 H new ATOM 0 HE ARG A 72 94.714 -10.380 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 72 92.517 -7.792 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 72 91.112 -8.859 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.905 -11.746 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.331 -11.088 10.155 1.00 0.00 H new ATOM 1161 N LEU A 73 99.443 -7.447 12.002 1.00 0.00 N ATOM 1162 CA LEU A 73 100.756 -7.895 12.460 1.00 0.00 C ATOM 1163 C LEU A 73 101.806 -7.699 11.370 1.00 0.00 C ATOM 1164 O LEU A 73 101.810 -8.403 10.361 1.00 0.00 O ATOM 1165 CB LEU A 73 100.728 -9.367 12.895 1.00 0.00 C ATOM 1166 CG LEU A 73 99.499 -10.175 12.468 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.298 -9.822 13.329 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.191 -9.960 10.995 1.00 0.00 C ATOM 0 H LEU A 73 99.219 -7.709 11.042 1.00 0.00 H new ATOM 0 HA LEU A 73 101.022 -7.287 13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.616 -9.859 12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 100.802 -9.405 13.982 1.00 0.00 H new ATOM 0 HG LEU A 73 99.723 -11.232 12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.436 -10.407 13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.520 -10.045 14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.075 -8.760 13.224 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.314 -10.545 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 73 98.994 -8.903 10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 73 100.044 -10.278 10.395 1.00 0.00 H new ATOM 1180 N LEU A 74 102.697 -6.735 11.582 1.00 0.00 N ATOM 1181 CA LEU A 74 103.752 -6.444 10.618 1.00 0.00 C ATOM 1182 C LEU A 74 104.638 -7.665 10.393 1.00 0.00 C ATOM 1183 O LEU A 74 105.107 -7.906 9.280 1.00 0.00 O ATOM 1184 CB LEU A 74 104.602 -5.268 11.104 1.00 0.00 C ATOM 1185 CG LEU A 74 103.828 -3.974 11.363 1.00 0.00 C ATOM 1186 CD1 LEU A 74 104.052 -3.495 12.788 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.240 -2.899 10.367 1.00 0.00 C ATOM 0 H LEU A 74 102.709 -6.143 12.412 1.00 0.00 H new ATOM 0 HA LEU A 74 103.281 -6.180 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.108 -5.561 12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.376 -5.068 10.363 1.00 0.00 H new ATOM 0 HG LEU A 74 102.765 -4.176 11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 103.494 -2.574 12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 103.709 -4.258 13.487 1.00 0.00 H new ATOM 0 HD13 LEU A 74 105.114 -3.309 12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.680 -1.985 10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.307 -2.700 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.029 -3.241 9.354 1.00 0.00 H new ATOM 1199 N GLU A 75 104.867 -8.430 11.455 1.00 0.00 N ATOM 1200 CA GLU A 75 105.699 -9.624 11.372 1.00 0.00 C ATOM 1201 C GLU A 75 105.014 -10.714 10.552 1.00 0.00 C ATOM 1202 O GLU A 75 105.676 -11.515 9.892 1.00 0.00 O ATOM 1203 CB GLU A 75 106.016 -10.148 12.774 1.00 0.00 C ATOM 1204 CG GLU A 75 107.009 -9.287 13.536 1.00 0.00 C ATOM 1205 CD GLU A 75 108.448 -9.596 13.169 1.00 0.00 C ATOM 1206 OE1 GLU A 75 108.804 -10.792 13.116 1.00 0.00 O ATOM 1207 OE2 GLU A 75 109.219 -8.641 12.936 1.00 0.00 O ATOM 0 H GLU A 75 104.488 -8.244 12.383 1.00 0.00 H new ATOM 0 HA GLU A 75 106.629 -9.352 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 75 105.091 -10.213 13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 75 106.413 -11.160 12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.804 -8.236 13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 75 106.870 -9.439 14.606 1.00 0.00 H new ATOM 1214 N GLU A 76 103.687 -10.740 10.601 1.00 0.00 N ATOM 1215 CA GLU A 76 102.915 -11.735 9.865 1.00 0.00 C ATOM 1216 C GLU A 76 102.785 -11.347 8.395 1.00 0.00 C ATOM 1217 O GLU A 76 103.138 -12.121 7.505 1.00 0.00 O ATOM 1218 CB GLU A 76 101.527 -11.894 10.486 1.00 0.00 C ATOM 1219 CG GLU A 76 101.415 -13.082 11.427 1.00 0.00 C ATOM 1220 CD GLU A 76 100.255 -13.995 11.079 1.00 0.00 C ATOM 1221 OE1 GLU A 76 100.457 -14.931 10.277 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.146 -13.773 11.608 1.00 0.00 O ATOM 0 H GLU A 76 103.123 -10.084 11.142 1.00 0.00 H new ATOM 0 HA GLU A 76 103.445 -12.686 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.275 -10.984 11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.791 -12.002 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 76 102.343 -13.653 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 101.295 -12.721 12.449 1.00 0.00 H new ATOM 1229 N LEU A 77 102.275 -10.145 8.147 1.00 0.00 N ATOM 1230 CA LEU A 77 102.098 -9.657 6.784 1.00 0.00 C ATOM 1231 C LEU A 77 103.292 -10.030 5.911 1.00 0.00 C ATOM 1232 O LEU A 77 104.338 -10.441 6.416 1.00 0.00 O ATOM 1233 CB LEU A 77 101.908 -8.139 6.783 1.00 0.00 C ATOM 1234 CG LEU A 77 101.134 -7.584 5.587 1.00 0.00 C ATOM 1235 CD1 LEU A 77 99.787 -7.036 6.032 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.944 -6.506 4.883 1.00 0.00 C ATOM 0 H LEU A 77 101.977 -9.491 8.871 1.00 0.00 H new ATOM 0 HA LEU A 77 101.207 -10.129 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.388 -7.853 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.889 -7.665 6.813 1.00 0.00 H new ATOM 0 HG LEU A 77 100.958 -8.397 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.250 -6.645 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.204 -7.834 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 99.941 -6.236 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.378 -6.122 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.151 -5.693 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.884 -6.929 4.530 1.00 0.00 H new ATOM 1248 N GLY A 78 103.129 -9.886 4.599 1.00 0.00 N ATOM 1249 CA GLY A 78 104.202 -10.211 3.678 1.00 0.00 C ATOM 1250 C GLY A 78 105.568 -9.865 4.234 1.00 0.00 C ATOM 1251 O GLY A 78 105.713 -8.902 4.987 1.00 0.00 O ATOM 0 H GLY A 78 102.273 -9.550 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.167 -11.275 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.048 -9.675 2.742 1.00 0.00 H new ATOM 1255 N GLN A 79 106.574 -10.652 3.866 1.00 0.00 N ATOM 1256 CA GLN A 79 107.934 -10.423 4.338 1.00 0.00 C ATOM 1257 C GLN A 79 108.638 -9.372 3.485 1.00 0.00 C ATOM 1258 O GLN A 79 108.933 -8.274 3.956 1.00 0.00 O ATOM 1259 CB GLN A 79 108.730 -11.729 4.322 1.00 0.00 C ATOM 1260 CG GLN A 79 108.800 -12.414 5.677 1.00 0.00 C ATOM 1261 CD GLN A 79 110.155 -12.258 6.340 1.00 0.00 C ATOM 1262 OE1 GLN A 79 111.051 -13.080 6.146 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.311 -11.202 7.130 1.00 0.00 N ATOM 0 H GLN A 79 106.473 -11.453 3.243 1.00 0.00 H new ATOM 0 HA GLN A 79 107.878 -10.054 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.279 -12.411 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.743 -11.524 3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 79 108.031 -12.000 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.579 -13.474 5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.541 -10.546 7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 79 111.201 -11.047 7.604 1.00 0.00 H new ATOM 1272 N VAL A 80 108.910 -9.716 2.229 1.00 0.00 N ATOM 1273 CA VAL A 80 109.586 -8.794 1.320 1.00 0.00 C ATOM 1274 C VAL A 80 108.733 -7.562 1.045 1.00 0.00 C ATOM 1275 O VAL A 80 109.197 -6.430 1.189 1.00 0.00 O ATOM 1276 CB VAL A 80 109.924 -9.458 -0.031 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.328 -10.037 -0.011 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.899 -10.526 -0.384 1.00 0.00 C ATOM 0 H VAL A 80 108.675 -10.620 1.819 1.00 0.00 H new ATOM 0 HA VAL A 80 110.510 -8.503 1.819 1.00 0.00 H new ATOM 0 HB VAL A 80 109.887 -8.690 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.544 -10.500 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.047 -9.240 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.401 -10.787 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.160 -10.979 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.891 -11.293 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.910 -10.072 -0.455 1.00 0.00 H new ATOM 1288 N GLU A 81 107.485 -7.787 0.652 1.00 0.00 N ATOM 1289 CA GLU A 81 106.579 -6.689 0.346 1.00 0.00 C ATOM 1290 C GLU A 81 106.486 -5.728 1.522 1.00 0.00 C ATOM 1291 O GLU A 81 106.641 -4.519 1.358 1.00 0.00 O ATOM 1292 CB GLU A 81 105.189 -7.227 0.000 1.00 0.00 C ATOM 1293 CG GLU A 81 105.002 -7.521 -1.479 1.00 0.00 C ATOM 1294 CD GLU A 81 103.631 -7.117 -1.985 1.00 0.00 C ATOM 1295 OE1 GLU A 81 103.117 -6.070 -1.536 1.00 0.00 O ATOM 1296 OE2 GLU A 81 103.070 -7.847 -2.829 1.00 0.00 O ATOM 0 H GLU A 81 107.079 -8.716 0.538 1.00 0.00 H new ATOM 0 HA GLU A 81 106.974 -6.150 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.010 -8.139 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.439 -6.502 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.766 -6.993 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.151 -8.586 -1.656 1.00 0.00 H new ATOM 1303 N LYS A 82 106.255 -6.272 2.708 1.00 0.00 N ATOM 1304 CA LYS A 82 106.161 -5.448 3.903 1.00 0.00 C ATOM 1305 C LYS A 82 107.438 -4.640 4.071 1.00 0.00 C ATOM 1306 O LYS A 82 107.398 -3.458 4.410 1.00 0.00 O ATOM 1307 CB LYS A 82 105.923 -6.318 5.138 1.00 0.00 C ATOM 1308 CG LYS A 82 105.908 -5.534 6.441 1.00 0.00 C ATOM 1309 CD LYS A 82 107.310 -5.359 7.002 1.00 0.00 C ATOM 1310 CE LYS A 82 107.556 -3.927 7.449 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.834 -3.605 8.710 1.00 0.00 N ATOM 0 H LYS A 82 106.130 -7.272 2.868 1.00 0.00 H new ATOM 0 HA LYS A 82 105.317 -4.767 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.973 -6.840 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.701 -7.080 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.457 -4.556 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.285 -6.051 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.452 -6.034 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 82 108.043 -5.636 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.625 -3.771 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.237 -3.242 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.830 -2.575 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.855 -3.950 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 107.312 -4.065 9.511 1.00 0.00 H new ATOM 1325 N ALA A 83 108.570 -5.281 3.804 1.00 0.00 N ATOM 1326 CA ALA A 83 109.856 -4.614 3.895 1.00 0.00 C ATOM 1327 C ALA A 83 110.010 -3.622 2.751 1.00 0.00 C ATOM 1328 O ALA A 83 110.593 -2.550 2.912 1.00 0.00 O ATOM 1329 CB ALA A 83 110.987 -5.632 3.878 1.00 0.00 C ATOM 0 H ALA A 83 108.620 -6.260 3.523 1.00 0.00 H new ATOM 0 HA ALA A 83 109.903 -4.069 4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.944 -5.114 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.879 -6.310 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.949 -6.202 2.950 1.00 0.00 H new ATOM 1335 N VAL A 84 109.471 -3.997 1.595 1.00 0.00 N ATOM 1336 CA VAL A 84 109.542 -3.163 0.405 1.00 0.00 C ATOM 1337 C VAL A 84 108.931 -1.796 0.660 1.00 0.00 C ATOM 1338 O VAL A 84 109.475 -0.773 0.246 1.00 0.00 O ATOM 1339 CB VAL A 84 108.812 -3.827 -0.774 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.919 -2.821 -1.486 1.00 0.00 C ATOM 1341 CG2 VAL A 84 109.814 -4.447 -1.738 1.00 0.00 C ATOM 0 H VAL A 84 108.978 -4.879 1.459 1.00 0.00 H new ATOM 0 HA VAL A 84 110.596 -3.043 0.156 1.00 0.00 H new ATOM 0 HB VAL A 84 108.177 -4.624 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.411 -3.310 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.179 -2.432 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.527 -1.999 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.281 -4.913 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.477 -3.672 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.403 -5.201 -1.216 1.00 0.00 H new ATOM 1351 N LEU A 85 107.803 -1.785 1.351 1.00 0.00 N ATOM 1352 CA LEU A 85 107.123 -0.542 1.669 1.00 0.00 C ATOM 1353 C LEU A 85 107.920 0.268 2.684 1.00 0.00 C ATOM 1354 O LEU A 85 107.923 1.498 2.643 1.00 0.00 O ATOM 1355 CB LEU A 85 105.729 -0.828 2.226 1.00 0.00 C ATOM 1356 CG LEU A 85 104.916 -1.865 1.451 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.992 -2.625 2.391 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.119 -1.197 0.342 1.00 0.00 C ATOM 0 H LEU A 85 107.340 -2.623 1.702 1.00 0.00 H new ATOM 0 HA LEU A 85 107.033 0.037 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.830 -1.167 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.167 0.106 2.251 1.00 0.00 H new ATOM 0 HG LEU A 85 105.606 -2.576 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.420 -3.359 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.585 -3.135 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.308 -1.926 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.546 -1.950 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.437 -0.464 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 85 104.801 -0.697 -0.345 1.00 0.00 H new ATOM 1370 N ARG A 86 108.593 -0.427 3.596 1.00 0.00 N ATOM 1371 CA ARG A 86 109.369 0.244 4.631 1.00 0.00 C ATOM 1372 C ARG A 86 110.414 1.157 4.016 1.00 0.00 C ATOM 1373 O ARG A 86 110.528 2.324 4.394 1.00 0.00 O ATOM 1374 CB ARG A 86 110.047 -0.787 5.537 1.00 0.00 C ATOM 1375 CG ARG A 86 110.201 -0.321 6.976 1.00 0.00 C ATOM 1376 CD ARG A 86 109.987 -1.464 7.956 1.00 0.00 C ATOM 1377 NE ARG A 86 111.000 -2.506 7.812 1.00 0.00 N ATOM 1378 CZ ARG A 86 111.300 -3.378 8.770 1.00 0.00 C ATOM 1379 NH1 ARG A 86 110.665 -3.333 9.933 1.00 0.00 N ATOM 1380 NH2 ARG A 86 112.233 -4.297 8.564 1.00 0.00 N ATOM 0 H ARG A 86 108.617 -1.446 3.639 1.00 0.00 H new ATOM 0 HA ARG A 86 108.687 0.850 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.467 -1.710 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.031 -1.023 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 86 111.196 0.101 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.485 0.475 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 86 110.008 -1.077 8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 86 108.998 -1.896 7.799 1.00 0.00 H new ATOM 0 HE ARG A 86 111.505 -2.568 6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 86 109.945 -2.629 10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.896 -4.003 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 86 112.722 -4.336 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 86 112.462 -4.965 9.300 1.00 0.00 H new ATOM 1394 N ILE A 87 111.158 0.642 3.052 1.00 0.00 N ATOM 1395 CA ILE A 87 112.167 1.441 2.386 1.00 0.00 C ATOM 1396 C ILE A 87 111.511 2.582 1.621 1.00 0.00 C ATOM 1397 O ILE A 87 112.052 3.687 1.547 1.00 0.00 O ATOM 1398 CB ILE A 87 113.020 0.597 1.417 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.177 0.124 0.232 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.631 -0.590 2.146 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.003 -0.343 -0.947 1.00 0.00 C ATOM 0 H ILE A 87 111.082 -0.318 2.716 1.00 0.00 H new ATOM 0 HA ILE A 87 112.826 1.842 3.156 1.00 0.00 H new ATOM 0 HB ILE A 87 113.828 1.221 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.530 -0.691 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.527 0.938 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.230 -1.176 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.265 -0.232 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 87 112.836 -1.214 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.341 -0.664 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.630 0.476 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.634 -1.178 -0.641 1.00 0.00 H new ATOM 1413 N ALA A 88 110.328 2.314 1.073 1.00 0.00 N ATOM 1414 CA ALA A 88 109.595 3.322 0.324 1.00 0.00 C ATOM 1415 C ALA A 88 109.258 4.499 1.219 1.00 0.00 C ATOM 1416 O ALA A 88 109.221 5.646 0.774 1.00 0.00 O ATOM 1417 CB ALA A 88 108.329 2.727 -0.271 1.00 0.00 C ATOM 0 H ALA A 88 109.861 1.409 1.135 1.00 0.00 H new ATOM 0 HA ALA A 88 110.225 3.675 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.793 3.495 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.592 1.909 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.693 2.349 0.530 1.00 0.00 H new ATOM 1423 N LEU A 89 109.027 4.205 2.489 1.00 0.00 N ATOM 1424 CA LEU A 89 108.698 5.234 3.455 1.00 0.00 C ATOM 1425 C LEU A 89 109.836 6.234 3.568 1.00 0.00 C ATOM 1426 O LEU A 89 109.614 7.447 3.592 1.00 0.00 O ATOM 1427 CB LEU A 89 108.419 4.600 4.818 1.00 0.00 C ATOM 1428 CG LEU A 89 107.308 3.547 4.835 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.773 3.368 6.246 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.184 3.928 3.881 1.00 0.00 C ATOM 0 H LEU A 89 109.062 3.260 2.872 1.00 0.00 H new ATOM 0 HA LEU A 89 107.804 5.759 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.338 4.140 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.158 5.391 5.522 1.00 0.00 H new ATOM 0 HG LEU A 89 107.729 2.599 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 89 105.984 2.616 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.580 3.044 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.371 4.315 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.407 3.164 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.762 4.887 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.578 4.005 2.867 1.00 0.00 H new ATOM 1442 N TYR A 90 111.061 5.725 3.613 1.00 0.00 N ATOM 1443 CA TYR A 90 112.225 6.587 3.708 1.00 0.00 C ATOM 1444 C TYR A 90 112.415 7.357 2.413 1.00 0.00 C ATOM 1445 O TYR A 90 112.957 8.463 2.406 1.00 0.00 O ATOM 1446 CB TYR A 90 113.483 5.784 4.037 1.00 0.00 C ATOM 1447 CG TYR A 90 114.357 6.436 5.086 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.177 7.771 5.445 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.364 5.719 5.719 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.977 8.364 6.403 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.167 6.306 6.679 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.969 7.628 7.017 1.00 0.00 C ATOM 1453 OH TYR A 90 116.766 8.217 7.972 1.00 0.00 O ATOM 0 H TYR A 90 111.270 4.727 3.585 1.00 0.00 H new ATOM 0 HA TYR A 90 112.056 7.294 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.191 4.792 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.065 5.645 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.401 8.350 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.523 4.684 5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.826 9.400 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.945 5.733 7.161 1.00 0.00 H new ATOM 0 HH TYR A 90 116.260 8.917 8.434 1.00 0.00 H new ATOM 1463 N GLU A 91 111.959 6.764 1.316 1.00 0.00 N ATOM 1464 CA GLU A 91 112.074 7.394 0.012 1.00 0.00 C ATOM 1465 C GLU A 91 111.495 8.801 0.055 1.00 0.00 C ATOM 1466 O GLU A 91 111.994 9.709 -0.609 1.00 0.00 O ATOM 1467 CB GLU A 91 111.351 6.561 -1.048 1.00 0.00 C ATOM 1468 CG GLU A 91 111.752 6.909 -2.472 1.00 0.00 C ATOM 1469 CD GLU A 91 110.750 7.818 -3.156 1.00 0.00 C ATOM 1470 OE1 GLU A 91 109.621 7.359 -3.427 1.00 0.00 O ATOM 1471 OE2 GLU A 91 111.095 8.989 -3.420 1.00 0.00 O ATOM 0 H GLU A 91 111.507 5.849 1.306 1.00 0.00 H new ATOM 0 HA GLU A 91 113.130 7.455 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.555 5.505 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.276 6.701 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.728 7.393 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 91 111.857 5.991 -3.050 1.00 0.00 H new ATOM 1478 N LEU A 92 110.440 8.978 0.846 1.00 0.00 N ATOM 1479 CA LEU A 92 109.800 10.278 0.976 1.00 0.00 C ATOM 1480 C LEU A 92 110.700 11.255 1.728 1.00 0.00 C ATOM 1481 O LEU A 92 110.711 12.452 1.440 1.00 0.00 O ATOM 1482 CB LEU A 92 108.459 10.137 1.698 1.00 0.00 C ATOM 1483 CG LEU A 92 107.514 9.092 1.100 1.00 0.00 C ATOM 1484 CD1 LEU A 92 106.786 8.337 2.201 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.522 9.753 0.156 1.00 0.00 C ATOM 0 H LEU A 92 110.013 8.238 1.404 1.00 0.00 H new ATOM 0 HA LEU A 92 109.625 10.673 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.649 9.880 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.957 11.105 1.694 1.00 0.00 H new ATOM 0 HG LEU A 92 108.106 8.376 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.119 7.599 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 92 107.513 7.832 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.204 9.038 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 92 105.857 8.997 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 92 105.935 10.490 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.062 10.247 -0.652 1.00 0.00 H new ATOM 1497 N SER A 93 111.448 10.738 2.698 1.00 0.00 N ATOM 1498 CA SER A 93 112.346 11.565 3.498 1.00 0.00 C ATOM 1499 C SER A 93 113.604 11.937 2.718 1.00 0.00 C ATOM 1500 O SER A 93 114.014 13.098 2.704 1.00 0.00 O ATOM 1501 CB SER A 93 112.730 10.834 4.786 1.00 0.00 C ATOM 1502 OG SER A 93 114.127 10.598 4.841 1.00 0.00 O ATOM 0 H SER A 93 111.450 9.749 2.949 1.00 0.00 H new ATOM 0 HA SER A 93 111.817 12.485 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.424 11.425 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.195 9.886 4.843 1.00 0.00 H new ATOM 0 HG SER A 93 114.291 9.657 5.060 1.00 0.00 H new ATOM 1508 N LYS A 94 114.215 10.947 2.079 1.00 0.00 N ATOM 1509 CA LYS A 94 115.431 11.175 1.305 1.00 0.00 C ATOM 1510 C LYS A 94 115.106 11.486 -0.152 1.00 0.00 C ATOM 1511 O LYS A 94 115.326 12.602 -0.622 1.00 0.00 O ATOM 1512 CB LYS A 94 116.346 9.951 1.385 1.00 0.00 C ATOM 1513 CG LYS A 94 116.551 9.437 2.800 1.00 0.00 C ATOM 1514 CD LYS A 94 116.739 10.578 3.786 1.00 0.00 C ATOM 1515 CE LYS A 94 116.917 10.065 5.206 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.213 10.499 5.796 1.00 0.00 N ATOM 0 H LYS A 94 113.890 9.980 2.081 1.00 0.00 H new ATOM 0 HA LYS A 94 115.945 12.036 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.925 9.152 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.315 10.203 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.692 8.836 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.423 8.783 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.610 11.168 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 94 115.876 11.242 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.097 10.425 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.864 8.976 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.295 10.128 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.997 10.134 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.254 11.538 5.818 1.00 0.00 H new ATOM 1530 N ARG A 95 114.584 10.491 -0.862 1.00 0.00 N ATOM 1531 CA ARG A 95 114.232 10.660 -2.267 1.00 0.00 C ATOM 1532 C ARG A 95 115.319 11.430 -3.013 1.00 0.00 C ATOM 1533 O ARG A 95 116.293 10.843 -3.485 1.00 0.00 O ATOM 1534 CB ARG A 95 112.890 11.385 -2.397 1.00 0.00 C ATOM 1535 CG ARG A 95 112.573 12.293 -1.219 1.00 0.00 C ATOM 1536 CD ARG A 95 111.222 12.970 -1.386 1.00 0.00 C ATOM 1537 NE ARG A 95 111.050 14.083 -0.455 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.778 15.193 -0.493 1.00 0.00 C ATOM 1539 NH1 ARG A 95 112.722 15.339 -1.412 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.562 16.160 0.389 1.00 0.00 N ATOM 0 H ARG A 95 114.396 9.561 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 95 114.144 9.670 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.894 11.978 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.095 10.646 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 95 112.578 11.711 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 95 113.351 13.050 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 95 111.122 13.334 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 95 110.428 12.240 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 95 110.331 14.003 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 95 112.891 14.598 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.280 16.193 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.836 16.051 1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 95 112.122 17.012 0.359 1.00 0.00 H new ATOM 1554 N SER A 96 115.146 12.747 -3.114 1.00 0.00 N ATOM 1555 CA SER A 96 116.104 13.608 -3.800 1.00 0.00 C ATOM 1556 C SER A 96 115.414 14.867 -4.311 1.00 0.00 C ATOM 1557 O SER A 96 116.010 15.944 -4.354 1.00 0.00 O ATOM 1558 CB SER A 96 116.756 12.864 -4.969 1.00 0.00 C ATOM 1559 OG SER A 96 117.349 13.771 -5.883 1.00 0.00 O ATOM 0 H SER A 96 114.344 13.243 -2.725 1.00 0.00 H new ATOM 0 HA SER A 96 116.879 13.891 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.513 12.177 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 96 116.008 12.261 -5.484 1.00 0.00 H new ATOM 0 HG SER A 96 117.760 13.272 -6.619 1.00 0.00 H new ATOM 1565 N ASP A 97 114.152 14.719 -4.697 1.00 0.00 N ATOM 1566 CA ASP A 97 113.365 15.835 -5.208 1.00 0.00 C ATOM 1567 C ASP A 97 111.989 15.357 -5.659 1.00 0.00 C ATOM 1568 O ASP A 97 111.435 15.862 -6.635 1.00 0.00 O ATOM 1569 CB ASP A 97 114.092 16.510 -6.372 1.00 0.00 C ATOM 1570 CG ASP A 97 114.236 18.007 -6.173 1.00 0.00 C ATOM 1571 OD1 ASP A 97 113.403 18.592 -5.450 1.00 0.00 O ATOM 1572 OD2 ASP A 97 115.182 18.593 -6.741 1.00 0.00 O ATOM 0 H ASP A 97 113.650 13.832 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 97 113.237 16.560 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.080 16.065 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 97 113.547 16.320 -7.297 1.00 0.00 H new ATOM 1577 N VAL A 98 111.445 14.379 -4.941 1.00 0.00 N ATOM 1578 CA VAL A 98 110.137 13.827 -5.265 1.00 0.00 C ATOM 1579 C VAL A 98 109.020 14.631 -4.608 1.00 0.00 C ATOM 1580 O VAL A 98 109.016 14.831 -3.393 1.00 0.00 O ATOM 1581 CB VAL A 98 110.023 12.357 -4.820 1.00 0.00 C ATOM 1582 CG1 VAL A 98 108.602 12.037 -4.382 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.467 11.425 -5.938 1.00 0.00 C ATOM 0 H VAL A 98 111.892 13.953 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 98 110.031 13.882 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 98 110.683 12.204 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 98 108.543 10.994 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.325 12.680 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 98 107.918 12.207 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.380 10.391 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.835 11.580 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.504 11.636 -6.197 1.00 0.00 H new ATOM 1593 N PRO A 99 108.053 15.101 -5.409 1.00 0.00 N ATOM 1594 CA PRO A 99 106.919 15.888 -4.911 1.00 0.00 C ATOM 1595 C PRO A 99 106.081 15.116 -3.897 1.00 0.00 C ATOM 1596 O PRO A 99 105.890 15.564 -2.766 1.00 0.00 O ATOM 1597 CB PRO A 99 106.094 16.181 -6.169 1.00 0.00 C ATOM 1598 CG PRO A 99 107.029 15.968 -7.310 1.00 0.00 C ATOM 1599 CD PRO A 99 107.989 14.904 -6.866 1.00 0.00 C ATOM 0 HA PRO A 99 107.251 16.785 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.232 15.517 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 99 105.711 17.201 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.489 15.657 -8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 99 107.556 16.889 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 99 107.633 13.906 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.967 15.023 -7.332 1.00 0.00 H new ATOM 1607 N TYR A 100 105.578 13.957 -4.311 1.00 0.00 N ATOM 1608 CA TYR A 100 104.754 13.126 -3.440 1.00 0.00 C ATOM 1609 C TYR A 100 104.125 11.979 -4.224 1.00 0.00 C ATOM 1610 O TYR A 100 104.320 10.808 -3.897 1.00 0.00 O ATOM 1611 CB TYR A 100 103.658 13.979 -2.784 1.00 0.00 C ATOM 1612 CG TYR A 100 102.610 13.184 -2.027 1.00 0.00 C ATOM 1613 CD1 TYR A 100 101.768 12.294 -2.685 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.453 13.334 -0.653 1.00 0.00 C ATOM 1615 CE1 TYR A 100 100.810 11.578 -1.999 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.491 12.620 0.037 1.00 0.00 C ATOM 1617 CZ TYR A 100 100.674 11.743 -0.642 1.00 0.00 C ATOM 1618 OH TYR A 100 99.708 11.035 0.034 1.00 0.00 O ATOM 0 H TYR A 100 105.727 13.572 -5.244 1.00 0.00 H new ATOM 0 HA TYR A 100 105.391 12.703 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 100 104.126 14.684 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 100 103.162 14.567 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 100 101.866 12.161 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.093 14.019 -0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.168 10.889 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.381 12.749 1.104 1.00 0.00 H new ATOM 0 HH TYR A 100 99.970 10.092 0.087 1.00 0.00 H new ATOM 1628 N LYS A 101 103.361 12.325 -5.255 1.00 0.00 N ATOM 1629 CA LYS A 101 102.685 11.330 -6.080 1.00 0.00 C ATOM 1630 C LYS A 101 103.676 10.364 -6.715 1.00 0.00 C ATOM 1631 O LYS A 101 103.434 9.157 -6.770 1.00 0.00 O ATOM 1632 CB LYS A 101 101.858 12.018 -7.166 1.00 0.00 C ATOM 1633 CG LYS A 101 102.330 11.712 -8.576 1.00 0.00 C ATOM 1634 CD LYS A 101 101.975 10.291 -8.987 1.00 0.00 C ATOM 1635 CE LYS A 101 101.612 10.212 -10.461 1.00 0.00 C ATOM 1636 NZ LYS A 101 102.779 10.511 -11.337 1.00 0.00 N ATOM 0 H LYS A 101 103.194 13.290 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 101 102.023 10.756 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 101 100.817 11.712 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.890 13.096 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 101 101.878 12.417 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 101 103.409 11.851 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 101 102.818 9.631 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 101 101.138 9.935 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 101 101.233 9.216 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 101 100.808 10.916 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 102.490 10.447 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 103.125 11.471 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 103.537 9.824 -11.151 1.00 0.00 H new ATOM 1650 N VAL A 102 104.792 10.896 -7.196 1.00 0.00 N ATOM 1651 CA VAL A 102 105.810 10.073 -7.833 1.00 0.00 C ATOM 1652 C VAL A 102 106.307 8.990 -6.884 1.00 0.00 C ATOM 1653 O VAL A 102 106.622 7.879 -7.309 1.00 0.00 O ATOM 1654 CB VAL A 102 107.009 10.919 -8.300 1.00 0.00 C ATOM 1655 CG1 VAL A 102 106.554 12.008 -9.258 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.733 11.518 -7.105 1.00 0.00 C ATOM 0 H VAL A 102 105.014 11.891 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 102 105.344 9.609 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 102 107.705 10.270 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 102 107.415 12.595 -9.577 1.00 0.00 H new ATOM 0 HG12 VAL A 102 106.083 11.553 -10.129 1.00 0.00 H new ATOM 0 HG13 VAL A 102 105.837 12.658 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.578 12.113 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.047 12.154 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.094 10.717 -6.460 1.00 0.00 H new ATOM 1666 N ALA A 103 106.365 9.313 -5.597 1.00 0.00 N ATOM 1667 CA ALA A 103 106.816 8.357 -4.600 1.00 0.00 C ATOM 1668 C ALA A 103 105.914 7.129 -4.586 1.00 0.00 C ATOM 1669 O ALA A 103 106.389 5.997 -4.501 1.00 0.00 O ATOM 1670 CB ALA A 103 106.853 9.004 -3.224 1.00 0.00 C ATOM 0 H ALA A 103 106.106 10.226 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 103 107.825 8.038 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.193 8.275 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 103 107.538 9.851 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 103 105.854 9.350 -2.958 1.00 0.00 H new ATOM 1676 N ILE A 104 104.606 7.363 -4.674 1.00 0.00 N ATOM 1677 CA ILE A 104 103.631 6.279 -4.671 1.00 0.00 C ATOM 1678 C ILE A 104 103.862 5.327 -5.837 1.00 0.00 C ATOM 1679 O ILE A 104 103.578 4.132 -5.744 1.00 0.00 O ATOM 1680 CB ILE A 104 102.193 6.822 -4.742 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.784 7.417 -3.392 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.231 5.719 -5.154 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.950 7.947 -2.586 1.00 0.00 C ATOM 0 H ILE A 104 104.199 8.295 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 104 103.762 5.737 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 104 102.153 7.611 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.073 8.225 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.267 6.654 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.218 6.118 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.515 5.336 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.270 4.911 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.585 8.353 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.652 7.137 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.454 8.733 -3.149 1.00 0.00 H new ATOM 1695 N ASN A 105 104.377 5.866 -6.934 1.00 0.00 N ATOM 1696 CA ASN A 105 104.642 5.068 -8.126 1.00 0.00 C ATOM 1697 C ASN A 105 105.603 3.923 -7.817 1.00 0.00 C ATOM 1698 O ASN A 105 105.553 2.870 -8.453 1.00 0.00 O ATOM 1699 CB ASN A 105 105.221 5.947 -9.236 1.00 0.00 C ATOM 1700 CG ASN A 105 104.222 6.209 -10.345 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.385 5.361 -10.657 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.304 7.389 -10.949 1.00 0.00 N ATOM 0 H ASN A 105 104.620 6.853 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 105 103.696 4.643 -8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 105 105.546 6.897 -8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 105 106.105 5.465 -9.653 1.00 0.00 H new ATOM 0 HD21 ASN A 105 103.658 7.622 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.013 8.062 -10.659 1.00 0.00 H new ATOM 1709 N GLU A 106 106.479 4.137 -6.842 1.00 0.00 N ATOM 1710 CA GLU A 106 107.454 3.123 -6.454 1.00 0.00 C ATOM 1711 C GLU A 106 106.790 1.974 -5.699 1.00 0.00 C ATOM 1712 O GLU A 106 107.180 0.816 -5.849 1.00 0.00 O ATOM 1713 CB GLU A 106 108.551 3.747 -5.592 1.00 0.00 C ATOM 1714 CG GLU A 106 109.215 4.955 -6.233 1.00 0.00 C ATOM 1715 CD GLU A 106 109.406 4.790 -7.728 1.00 0.00 C ATOM 1716 OE1 GLU A 106 108.407 4.901 -8.469 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.555 4.551 -8.158 1.00 0.00 O ATOM 0 H GLU A 106 106.535 5.003 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 106 107.897 2.720 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 106 108.124 4.043 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 106 109.310 2.993 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 106 108.609 5.841 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 106 110.184 5.125 -5.763 1.00 0.00 H new ATOM 1724 N ALA A 107 105.785 2.297 -4.890 1.00 0.00 N ATOM 1725 CA ALA A 107 105.075 1.288 -4.116 1.00 0.00 C ATOM 1726 C ALA A 107 104.704 0.101 -4.991 1.00 0.00 C ATOM 1727 O ALA A 107 105.258 -0.991 -4.847 1.00 0.00 O ATOM 1728 CB ALA A 107 103.829 1.890 -3.486 1.00 0.00 C ATOM 0 H ALA A 107 105.445 3.249 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 107 105.734 0.935 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.307 1.126 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 107 104.114 2.710 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 107 103.171 2.267 -4.269 1.00 0.00 H new ATOM 1734 N ILE A 108 103.763 0.324 -5.898 1.00 0.00 N ATOM 1735 CA ILE A 108 103.307 -0.724 -6.799 1.00 0.00 C ATOM 1736 C ILE A 108 104.478 -1.428 -7.474 1.00 0.00 C ATOM 1737 O ILE A 108 104.404 -2.617 -7.786 1.00 0.00 O ATOM 1738 CB ILE A 108 102.364 -0.172 -7.886 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.510 0.966 -7.328 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.482 -1.284 -8.435 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.127 1.040 -7.937 1.00 0.00 C ATOM 0 H ILE A 108 103.300 1.223 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 108 102.761 -1.440 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 108 102.969 0.224 -8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 108 101.417 0.844 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 108 102.024 1.912 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.821 -0.879 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.108 -2.064 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.884 -1.707 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.578 1.871 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.211 1.194 -9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.594 0.109 -7.744 1.00 0.00 H new ATOM 1753 N GLU A 109 105.557 -0.688 -7.702 1.00 0.00 N ATOM 1754 CA GLU A 109 106.739 -1.246 -8.347 1.00 0.00 C ATOM 1755 C GLU A 109 107.366 -2.339 -7.489 1.00 0.00 C ATOM 1756 O GLU A 109 107.640 -3.440 -7.969 1.00 0.00 O ATOM 1757 CB GLU A 109 107.765 -0.144 -8.617 1.00 0.00 C ATOM 1758 CG GLU A 109 108.154 -0.019 -10.081 1.00 0.00 C ATOM 1759 CD GLU A 109 108.553 1.394 -10.460 1.00 0.00 C ATOM 1760 OE1 GLU A 109 109.661 1.821 -10.075 1.00 0.00 O ATOM 1761 OE2 GLU A 109 107.756 2.073 -11.142 1.00 0.00 O ATOM 0 H GLU A 109 105.638 0.297 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 109 106.429 -1.687 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.361 0.809 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.660 -0.341 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 109 108.982 -0.695 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.317 -0.336 -10.704 1.00 0.00 H new ATOM 1768 N LEU A 110 107.590 -2.029 -6.217 1.00 0.00 N ATOM 1769 CA LEU A 110 108.189 -2.982 -5.289 1.00 0.00 C ATOM 1770 C LEU A 110 107.167 -4.013 -4.820 1.00 0.00 C ATOM 1771 O LEU A 110 107.466 -4.852 -3.971 1.00 0.00 O ATOM 1772 CB LEU A 110 108.780 -2.241 -4.091 1.00 0.00 C ATOM 1773 CG LEU A 110 109.842 -1.197 -4.436 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.880 -1.105 -3.328 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.504 -1.529 -5.764 1.00 0.00 C ATOM 0 H LEU A 110 107.366 -1.124 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 110 108.985 -3.513 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.970 -1.749 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.218 -2.972 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 110 109.354 -0.227 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.628 -0.357 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.393 -0.819 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.364 -2.073 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 110 111.257 -0.775 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.978 -2.508 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.752 -1.542 -6.552 1.00 0.00 H new ATOM 1787 N ALA A 111 105.963 -3.947 -5.378 1.00 0.00 N ATOM 1788 CA ALA A 111 104.905 -4.878 -5.018 1.00 0.00 C ATOM 1789 C ALA A 111 104.460 -5.696 -6.227 1.00 0.00 C ATOM 1790 O ALA A 111 103.563 -6.534 -6.125 1.00 0.00 O ATOM 1791 CB ALA A 111 103.725 -4.129 -4.422 1.00 0.00 C ATOM 0 H ALA A 111 105.697 -3.258 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 111 105.298 -5.567 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.940 -4.838 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.047 -3.594 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.340 -3.417 -5.152 1.00 0.00 H new ATOM 1797 N LYS A 112 105.092 -5.449 -7.372 1.00 0.00 N ATOM 1798 CA LYS A 112 104.757 -6.165 -8.597 1.00 0.00 C ATOM 1799 C LYS A 112 105.912 -7.060 -9.039 1.00 0.00 C ATOM 1800 O LYS A 112 105.852 -7.685 -10.098 1.00 0.00 O ATOM 1801 CB LYS A 112 104.414 -5.175 -9.709 1.00 0.00 C ATOM 1802 CG LYS A 112 102.942 -5.178 -10.091 1.00 0.00 C ATOM 1803 CD LYS A 112 102.677 -4.284 -11.291 1.00 0.00 C ATOM 1804 CE LYS A 112 102.227 -2.896 -10.863 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.290 -1.921 -11.986 1.00 0.00 N ATOM 0 H LYS A 112 105.837 -4.760 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 112 103.890 -6.794 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.697 -4.171 -9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 112 105.010 -5.410 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.626 -6.196 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.345 -4.839 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.582 -4.205 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 112 101.912 -4.737 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 112 101.207 -2.946 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 112 102.856 -2.547 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.975 -0.987 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.268 -1.853 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 101.671 -2.240 -12.758 1.00 0.00 H new ATOM 1819 N SER A 113 106.961 -7.115 -8.226 1.00 0.00 N ATOM 1820 CA SER A 113 108.127 -7.931 -8.539 1.00 0.00 C ATOM 1821 C SER A 113 108.947 -8.223 -7.286 1.00 0.00 C ATOM 1822 O SER A 113 109.470 -9.324 -7.116 1.00 0.00 O ATOM 1823 CB SER A 113 109.001 -7.224 -9.576 1.00 0.00 C ATOM 1824 OG SER A 113 109.777 -8.155 -10.311 1.00 0.00 O ATOM 0 H SER A 113 107.027 -6.604 -7.346 1.00 0.00 H new ATOM 0 HA SER A 113 107.775 -8.878 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.371 -6.653 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.658 -6.512 -9.077 1.00 0.00 H new ATOM 0 HG SER A 113 110.325 -7.677 -10.968 1.00 0.00 H new ATOM 1830 N PHE A 114 109.060 -7.227 -6.414 1.00 0.00 N ATOM 1831 CA PHE A 114 109.823 -7.373 -5.179 1.00 0.00 C ATOM 1832 C PHE A 114 109.014 -8.100 -4.109 1.00 0.00 C ATOM 1833 O PHE A 114 109.438 -8.196 -2.958 1.00 0.00 O ATOM 1834 CB PHE A 114 110.255 -5.999 -4.663 1.00 0.00 C ATOM 1835 CG PHE A 114 111.375 -5.390 -5.455 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.112 -4.652 -6.598 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.692 -5.555 -5.057 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.141 -4.090 -7.329 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.725 -4.996 -5.785 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.449 -4.262 -6.922 1.00 0.00 C ATOM 0 H PHE A 114 108.633 -6.309 -6.539 1.00 0.00 H new ATOM 0 HA PHE A 114 110.707 -7.971 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.398 -5.326 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.564 -6.091 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 114 110.091 -4.515 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.914 -6.127 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.922 -3.517 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.747 -5.133 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 114 114.255 -3.823 -7.492 1.00 0.00 H new ATOM 1850 N GLY A 115 107.849 -8.611 -4.493 1.00 0.00 N ATOM 1851 CA GLY A 115 107.008 -9.322 -3.550 1.00 0.00 C ATOM 1852 C GLY A 115 106.000 -10.224 -4.233 1.00 0.00 C ATOM 1853 O GLY A 115 106.360 -11.264 -4.785 1.00 0.00 O ATOM 0 H GLY A 115 107.473 -8.545 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.635 -9.920 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.480 -8.602 -2.925 1.00 0.00 H new ATOM 1857 N ALA A 116 104.734 -9.824 -4.195 1.00 0.00 N ATOM 1858 CA ALA A 116 103.668 -10.602 -4.814 1.00 0.00 C ATOM 1859 C ALA A 116 102.786 -9.724 -5.694 1.00 0.00 C ATOM 1860 O ALA A 116 102.600 -8.539 -5.415 1.00 0.00 O ATOM 1861 CB ALA A 116 102.832 -11.293 -3.746 1.00 0.00 C ATOM 0 H ALA A 116 104.421 -8.965 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 116 104.127 -11.360 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.039 -11.871 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.467 -11.960 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.391 -10.544 -3.088 1.00 0.00 H new ATOM 1867 N GLU A 117 102.246 -10.311 -6.756 1.00 0.00 N ATOM 1868 CA GLU A 117 101.383 -9.580 -7.678 1.00 0.00 C ATOM 1869 C GLU A 117 99.965 -9.475 -7.127 1.00 0.00 C ATOM 1870 O GLU A 117 99.303 -8.449 -7.283 1.00 0.00 O ATOM 1871 CB GLU A 117 101.363 -10.267 -9.044 1.00 0.00 C ATOM 1872 CG GLU A 117 101.042 -9.325 -10.193 1.00 0.00 C ATOM 1873 CD GLU A 117 100.084 -9.936 -11.197 1.00 0.00 C ATOM 1874 OE1 GLU A 117 98.862 -9.917 -10.938 1.00 0.00 O ATOM 1875 OE2 GLU A 117 100.555 -10.433 -12.241 1.00 0.00 O ATOM 0 H GLU A 117 102.390 -11.291 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 117 101.785 -8.573 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.334 -10.729 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.626 -11.070 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.609 -8.407 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.966 -9.048 -10.700 1.00 0.00 H new ATOM 1882 N ASP A 118 99.503 -10.543 -6.484 1.00 0.00 N ATOM 1883 CA ASP A 118 98.163 -10.570 -5.911 1.00 0.00 C ATOM 1884 C ASP A 118 97.786 -9.204 -5.347 1.00 0.00 C ATOM 1885 O ASP A 118 97.043 -8.447 -5.972 1.00 0.00 O ATOM 1886 CB ASP A 118 98.077 -11.631 -4.811 1.00 0.00 C ATOM 1887 CG ASP A 118 97.014 -12.674 -5.096 1.00 0.00 C ATOM 1888 OD1 ASP A 118 96.848 -13.044 -6.277 1.00 0.00 O ATOM 1889 OD2 ASP A 118 96.348 -13.120 -4.138 1.00 0.00 O ATOM 0 H ASP A 118 100.037 -11.401 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 118 97.460 -10.822 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 118 99.045 -12.122 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.861 -11.147 -3.859 1.00 0.00 H new ATOM 1894 N SER A 119 98.304 -8.895 -4.162 1.00 0.00 N ATOM 1895 CA SER A 119 98.023 -7.619 -3.515 1.00 0.00 C ATOM 1896 C SER A 119 99.107 -6.596 -3.840 1.00 0.00 C ATOM 1897 O SER A 119 99.993 -6.336 -3.026 1.00 0.00 O ATOM 1898 CB SER A 119 97.916 -7.804 -2.001 1.00 0.00 C ATOM 1899 OG SER A 119 98.043 -9.169 -1.643 1.00 0.00 O ATOM 0 H SER A 119 98.920 -9.511 -3.631 1.00 0.00 H new ATOM 0 HA SER A 119 97.072 -7.247 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.692 -7.221 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 119 96.957 -7.421 -1.652 1.00 0.00 H new ATOM 0 HG SER A 119 97.973 -9.260 -0.670 1.00 0.00 H new ATOM 1905 N HIS A 120 99.032 -6.022 -5.037 1.00 0.00 N ATOM 1906 CA HIS A 120 100.009 -5.030 -5.471 1.00 0.00 C ATOM 1907 C HIS A 120 99.444 -3.618 -5.353 1.00 0.00 C ATOM 1908 O HIS A 120 100.122 -2.706 -4.884 1.00 0.00 O ATOM 1909 CB HIS A 120 100.435 -5.302 -6.915 1.00 0.00 C ATOM 1910 CG HIS A 120 99.336 -5.100 -7.911 1.00 0.00 C ATOM 1911 ND1 HIS A 120 99.357 -4.102 -8.863 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.176 -5.775 -8.101 1.00 0.00 C ATOM 1913 CE1 HIS A 120 98.259 -4.171 -9.595 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.527 -5.178 -9.153 1.00 0.00 N ATOM 0 H HIS A 120 98.305 -6.227 -5.723 1.00 0.00 H new ATOM 0 HA HIS A 120 100.880 -5.107 -4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.269 -4.648 -7.169 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.799 -6.327 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 120 97.828 -6.624 -7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 120 98.004 -3.516 -10.415 1.00 0.00 H new ATOM 0 HE2 HIS A 120 96.625 -5.466 -9.532 1.00 0.00 H new ATOM 1923 N LYS A 121 98.199 -3.445 -5.784 1.00 0.00 N ATOM 1924 CA LYS A 121 97.547 -2.142 -5.728 1.00 0.00 C ATOM 1925 C LYS A 121 97.447 -1.642 -4.289 1.00 0.00 C ATOM 1926 O LYS A 121 97.574 -0.445 -4.028 1.00 0.00 O ATOM 1927 CB LYS A 121 96.152 -2.219 -6.350 1.00 0.00 C ATOM 1928 CG LYS A 121 96.114 -1.805 -7.812 1.00 0.00 C ATOM 1929 CD LYS A 121 95.822 -0.321 -7.963 1.00 0.00 C ATOM 1930 CE LYS A 121 96.260 0.198 -9.323 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.989 1.653 -9.476 1.00 0.00 N ATOM 0 H LYS A 121 97.622 -4.190 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 121 98.154 -1.437 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.779 -3.239 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.475 -1.581 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 121 97.069 -2.039 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.351 -2.382 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.755 -0.144 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 121 96.336 0.234 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 121 97.326 0.011 -9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 121 95.739 -0.353 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 96.302 1.967 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 94.969 1.829 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 96.506 2.181 -8.745 1.00 0.00 H new ATOM 1945 N PHE A 122 97.219 -2.564 -3.360 1.00 0.00 N ATOM 1946 CA PHE A 122 97.098 -2.214 -1.949 1.00 0.00 C ATOM 1947 C PHE A 122 98.365 -1.527 -1.451 1.00 0.00 C ATOM 1948 O PHE A 122 98.307 -0.641 -0.599 1.00 0.00 O ATOM 1949 CB PHE A 122 96.820 -3.465 -1.114 1.00 0.00 C ATOM 1950 CG PHE A 122 97.086 -3.279 0.352 1.00 0.00 C ATOM 1951 CD1 PHE A 122 98.384 -3.230 0.833 1.00 0.00 C ATOM 1952 CD2 PHE A 122 96.037 -3.154 1.250 1.00 0.00 C ATOM 1953 CE1 PHE A 122 98.633 -3.060 2.182 1.00 0.00 C ATOM 1954 CE2 PHE A 122 96.279 -2.983 2.600 1.00 0.00 C ATOM 1955 CZ PHE A 122 97.579 -2.936 3.066 1.00 0.00 C ATOM 0 H PHE A 122 97.114 -3.559 -3.558 1.00 0.00 H new ATOM 0 HA PHE A 122 96.263 -1.522 -1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.780 -3.760 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 122 97.436 -4.284 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 122 99.212 -3.326 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 122 95.019 -3.191 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 122 99.650 -3.024 2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 122 95.453 -2.886 3.290 1.00 0.00 H new ATOM 0 HZ PHE A 122 97.771 -2.802 4.120 1.00 0.00 H new ATOM 1965 N VAL A 123 99.506 -1.934 -1.993 1.00 0.00 N ATOM 1966 CA VAL A 123 100.784 -1.350 -1.608 1.00 0.00 C ATOM 1967 C VAL A 123 100.818 0.138 -1.928 1.00 0.00 C ATOM 1968 O VAL A 123 101.333 0.942 -1.153 1.00 0.00 O ATOM 1969 CB VAL A 123 101.960 -2.037 -2.324 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.663 -3.509 -2.559 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.275 -1.328 -3.633 1.00 0.00 C ATOM 0 H VAL A 123 99.572 -2.666 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 123 100.888 -1.499 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 123 102.839 -1.972 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.508 -3.974 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.497 -4.004 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.771 -3.606 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.109 -1.827 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.400 -1.357 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.542 -0.291 -3.430 1.00 0.00 H new ATOM 1981 N ASN A 124 100.270 0.496 -3.079 1.00 0.00 N ATOM 1982 CA ASN A 124 100.243 1.887 -3.511 1.00 0.00 C ATOM 1983 C ASN A 124 99.577 2.770 -2.462 1.00 0.00 C ATOM 1984 O ASN A 124 100.086 3.838 -2.121 1.00 0.00 O ATOM 1985 CB ASN A 124 99.496 2.010 -4.840 1.00 0.00 C ATOM 1986 CG ASN A 124 99.848 3.280 -5.589 1.00 0.00 C ATOM 1987 OD1 ASN A 124 100.911 3.381 -6.202 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.953 4.260 -5.541 1.00 0.00 N ATOM 0 H ASN A 124 99.837 -0.157 -3.732 1.00 0.00 H new ATOM 0 HA ASN A 124 101.272 2.222 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 124 99.728 1.148 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 124 98.422 1.988 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 124 99.134 5.140 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 124 98.085 4.133 -5.021 1.00 0.00 H new ATOM 1995 N GLY A 125 98.440 2.315 -1.950 1.00 0.00 N ATOM 1996 CA GLY A 125 97.723 3.084 -0.952 1.00 0.00 C ATOM 1997 C GLY A 125 98.543 3.320 0.299 1.00 0.00 C ATOM 1998 O GLY A 125 98.432 4.374 0.924 1.00 0.00 O ATOM 0 H GLY A 125 98.003 1.430 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.432 4.044 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.804 2.561 -0.687 1.00 0.00 H new ATOM 2002 N VAL A 126 99.379 2.354 0.660 1.00 0.00 N ATOM 2003 CA VAL A 126 100.218 2.499 1.842 1.00 0.00 C ATOM 2004 C VAL A 126 101.108 3.720 1.707 1.00 0.00 C ATOM 2005 O VAL A 126 101.282 4.482 2.656 1.00 0.00 O ATOM 2006 CB VAL A 126 101.103 1.263 2.087 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.438 0.000 1.558 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.479 1.463 1.464 1.00 0.00 C ATOM 0 H VAL A 126 99.493 1.473 0.159 1.00 0.00 H new ATOM 0 HA VAL A 126 99.546 2.611 2.693 1.00 0.00 H new ATOM 0 HB VAL A 126 101.230 1.140 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 126 101.085 -0.857 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.484 -0.148 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.268 0.100 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 126 103.093 0.581 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.373 1.616 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.957 2.335 1.910 1.00 0.00 H new ATOM 2018 N LEU A 127 101.660 3.912 0.514 1.00 0.00 N ATOM 2019 CA LEU A 127 102.515 5.055 0.262 1.00 0.00 C ATOM 2020 C LEU A 127 101.694 6.334 0.255 1.00 0.00 C ATOM 2021 O LEU A 127 102.186 7.399 0.615 1.00 0.00 O ATOM 2022 CB LEU A 127 103.282 4.895 -1.048 1.00 0.00 C ATOM 2023 CG LEU A 127 104.803 4.976 -0.902 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.458 5.226 -2.246 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.185 6.072 0.082 1.00 0.00 C ATOM 0 H LEU A 127 101.529 3.293 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 127 103.248 5.116 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 127 103.022 3.934 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 127 102.954 5.667 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 127 105.160 4.021 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.539 5.280 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.213 4.411 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.094 6.167 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.270 6.116 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 127 104.812 7.031 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.747 5.855 1.056 1.00 0.00 H new ATOM 2037 N ASP A 128 100.432 6.216 -0.152 1.00 0.00 N ATOM 2038 CA ASP A 128 99.542 7.366 -0.197 1.00 0.00 C ATOM 2039 C ASP A 128 99.370 7.950 1.199 1.00 0.00 C ATOM 2040 O ASP A 128 99.441 9.162 1.388 1.00 0.00 O ATOM 2041 CB ASP A 128 98.181 6.966 -0.770 1.00 0.00 C ATOM 2042 CG ASP A 128 98.144 7.044 -2.283 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.655 6.110 -2.938 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.607 8.038 -2.814 1.00 0.00 O ATOM 0 H ASP A 128 100.007 5.339 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 128 99.984 8.122 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 128 97.942 5.950 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.411 7.617 -0.357 1.00 0.00 H new ATOM 2049 N LYS A 129 99.156 7.077 2.176 1.00 0.00 N ATOM 2050 CA LYS A 129 98.994 7.510 3.557 1.00 0.00 C ATOM 2051 C LYS A 129 100.348 7.854 4.171 1.00 0.00 C ATOM 2052 O LYS A 129 100.489 8.854 4.873 1.00 0.00 O ATOM 2053 CB LYS A 129 98.307 6.419 4.381 1.00 0.00 C ATOM 2054 CG LYS A 129 97.100 5.806 3.692 1.00 0.00 C ATOM 2055 CD LYS A 129 96.220 6.871 3.059 1.00 0.00 C ATOM 2056 CE LYS A 129 94.818 6.347 2.788 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.662 5.877 1.384 1.00 0.00 N ATOM 0 H LYS A 129 99.091 6.069 2.038 1.00 0.00 H new ATOM 0 HA LYS A 129 98.369 8.403 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 129 99.029 5.632 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.995 6.840 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.434 5.106 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.518 5.234 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.165 7.738 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.670 7.209 2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 129 94.599 5.527 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.091 7.134 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.693 5.528 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.846 6.666 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 95.338 5.109 1.198 1.00 0.00 H new ATOM 2071 N ALA A 130 101.341 7.008 3.904 1.00 0.00 N ATOM 2072 CA ALA A 130 102.690 7.211 4.428 1.00 0.00 C ATOM 2073 C ALA A 130 103.424 8.358 3.726 1.00 0.00 C ATOM 2074 O ALA A 130 104.358 8.935 4.280 1.00 0.00 O ATOM 2075 CB ALA A 130 103.492 5.924 4.307 1.00 0.00 C ATOM 0 H ALA A 130 101.236 6.174 3.327 1.00 0.00 H new ATOM 0 HA ALA A 130 102.593 7.488 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.496 6.083 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 130 103.001 5.134 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.554 5.631 3.259 1.00 0.00 H new ATOM 2081 N ALA A 131 103.015 8.666 2.498 1.00 0.00 N ATOM 2082 CA ALA A 131 103.656 9.724 1.713 1.00 0.00 C ATOM 2083 C ALA A 131 103.595 11.074 2.421 1.00 0.00 C ATOM 2084 O ALA A 131 104.609 11.756 2.575 1.00 0.00 O ATOM 2085 CB ALA A 131 103.012 9.814 0.334 1.00 0.00 C ATOM 0 H ALA A 131 102.243 8.199 2.023 1.00 0.00 H new ATOM 0 HA ALA A 131 104.709 9.465 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 131 103.495 10.603 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.129 8.863 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 131 101.951 10.041 0.442 1.00 0.00 H new ATOM 2091 N PRO A 132 102.395 11.477 2.842 1.00 0.00 N ATOM 2092 CA PRO A 132 102.169 12.755 3.523 1.00 0.00 C ATOM 2093 C PRO A 132 102.591 12.739 4.990 1.00 0.00 C ATOM 2094 O PRO A 132 102.253 13.648 5.748 1.00 0.00 O ATOM 2095 CB PRO A 132 100.659 12.940 3.404 1.00 0.00 C ATOM 2096 CG PRO A 132 100.115 11.552 3.355 1.00 0.00 C ATOM 2097 CD PRO A 132 101.154 10.713 2.667 1.00 0.00 C ATOM 0 HA PRO A 132 102.759 13.558 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.259 13.493 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.397 13.501 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 132 99.916 11.177 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.171 11.524 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.228 9.722 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 132 100.918 10.570 1.613 1.00 0.00 H new ATOM 2105 N VAL A 133 103.330 11.710 5.389 1.00 0.00 N ATOM 2106 CA VAL A 133 103.790 11.594 6.765 1.00 0.00 C ATOM 2107 C VAL A 133 105.181 12.200 6.932 1.00 0.00 C ATOM 2108 O VAL A 133 105.391 13.069 7.778 1.00 0.00 O ATOM 2109 CB VAL A 133 103.824 10.128 7.225 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.420 10.024 8.618 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.429 9.523 7.187 1.00 0.00 C ATOM 0 H VAL A 133 103.622 10.946 4.779 1.00 0.00 H new ATOM 0 HA VAL A 133 103.079 12.143 7.383 1.00 0.00 H new ATOM 0 HB VAL A 133 104.456 9.564 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.437 8.980 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.437 10.417 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.814 10.601 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.474 8.485 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.770 10.085 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 133 102.042 9.565 6.169 1.00 0.00 H new ATOM 2121 N ILE A 134 106.125 11.739 6.118 1.00 0.00 N ATOM 2122 CA ILE A 134 107.493 12.240 6.176 1.00 0.00 C ATOM 2123 C ILE A 134 107.541 13.730 5.856 1.00 0.00 C ATOM 2124 O ILE A 134 108.492 14.423 6.218 1.00 0.00 O ATOM 2125 CB ILE A 134 108.415 11.489 5.195 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.171 10.371 5.919 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.387 12.457 4.540 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.323 9.149 6.188 1.00 0.00 C ATOM 0 H ILE A 134 105.968 11.020 5.411 1.00 0.00 H new ATOM 0 HA ILE A 134 107.847 12.072 7.193 1.00 0.00 H new ATOM 0 HB ILE A 134 107.801 11.037 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.035 10.080 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.553 10.754 6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.032 11.913 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.830 13.218 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 134 109.997 12.935 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 134 108.921 8.397 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.473 9.426 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 134 107.962 8.741 5.244 1.00 0.00 H new ATOM 2140 N ARG A 135 106.509 14.217 5.174 1.00 0.00 N ATOM 2141 CA ARG A 135 106.431 15.624 4.803 1.00 0.00 C ATOM 2142 C ARG A 135 105.175 16.269 5.383 1.00 0.00 C ATOM 2143 O ARG A 135 104.063 15.974 4.946 1.00 0.00 O ATOM 2144 CB ARG A 135 106.436 15.774 3.280 1.00 0.00 C ATOM 2145 CG ARG A 135 107.226 14.692 2.561 1.00 0.00 C ATOM 2146 CD ARG A 135 106.694 14.455 1.156 1.00 0.00 C ATOM 2147 NE ARG A 135 107.603 14.966 0.134 1.00 0.00 N ATOM 2148 CZ ARG A 135 107.573 16.214 -0.322 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.685 17.076 0.156 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.431 16.602 -1.255 1.00 0.00 N ATOM 0 H ARG A 135 105.714 13.656 4.867 1.00 0.00 H new ATOM 0 HA ARG A 135 107.304 16.131 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 135 105.408 15.761 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 135 106.852 16.748 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.276 14.980 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.177 13.764 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.539 13.387 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 135 105.722 14.937 1.050 1.00 0.00 H new ATOM 0 HE ARG A 135 108.300 14.329 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 135 106.024 16.781 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.663 18.033 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.116 15.942 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.406 17.560 -1.604 1.00 0.00 H new